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/U2-38c5d2db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2-38c5d2db/inputs/seq.fa: 1
curr_seq: _AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC
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 188 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: 945
n_atoms_counter: 945
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 188.000000 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/U2-38c5d2db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2-38c5d2db/inputs/seq.fa: 1
curr_seq: _AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC
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 188 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: 945
n_atoms_counter: 945
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 188.000000 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/U2-38c5d2db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2-38c5d2db/inputs/seq.fa: 1
curr_seq: _AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC
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 188 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: 945
n_atoms_counter: 945
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 188.000000 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/U2-38c5d2db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2-38c5d2db/inputs/seq.fa: 1
curr_seq: _AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC
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 188 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: 945
n_atoms_counter: 945
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 188.000000 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/U2-38c5d2db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2-38c5d2db/inputs/seq.fa: 1
curr_seq: _AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC
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 188 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: 945
n_atoms_counter: 945
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 188.000000 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/U2-38c5d2db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2-38c5d2db/inputs/seq.fa: 1
curr_seq: _AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC
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 188 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: 945
n_atoms_counter: 945
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 188.000000 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/U2-38c5d2db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2-38c5d2db/inputs/seq.fa: 1
curr_seq: _AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC
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 188 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: 945
n_atoms_counter: 945
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 188.000000 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/U2-38c5d2db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2-38c5d2db/inputs/seq.fa: 1
curr_seq: _AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC
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 188 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: 945
n_atoms_counter: 945
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 188.000000 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/U2-38c5d2db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2-38c5d2db/inputs/seq.fa: 1
curr_seq: _AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC
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 188 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: 945
n_atoms_counter: 945
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 188.000000 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/U2-38c5d2db/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/U2-38c5d2db/inputs/seq.fa: 1
curr_seq: _AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: AUCGCUUCUCGGCCUUUUGGCUAAGAUCAAGUGUAGUAUCUGUUCUUAUCAGUUUAAUAUCUGAUACGUCCUCUAUCCGAGGACAAUAUAUUAAAUGGAUUUUUGGAGCAGGGAGAUGGAAUAGGAGCUUGCUCCGUCCACUCCACGCAUCGACCUGGUAUUGCAGUACCUCCAGGAACGGUGCACCC
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 188 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: 945
n_atoms_counter: 945
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 188.000000 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: -751.731773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.731773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.731773 (E_RNA)
where:
Base-Base interactions energy: -19.964
where: short stacking energy: -19.964
Base-Backbone interact. energy: -0.000
local terms energy: -731.767666
where:
bonds (distance) C4'-P energy: -182.657
bonds (distance) P-C4' energy: -169.089
flat angles C4'-P-C4' energy: -138.034
flat angles P-C4'-P energy: -157.896
tors. eta vs tors. theta energy: -84.091
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: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -751.731773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.731773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.731773 (E_RNA)
where:
Base-Base interactions energy: -19.964
where: short stacking energy: -19.964
Base-Backbone interact. energy: -0.000
local terms energy: -731.767666
where:
bonds (distance) C4'-P energy: -182.657
bonds (distance) P-C4' energy: -169.089
flat angles C4'-P-C4' energy: -138.034
flat angles P-C4'-P energy: -157.896
tors. eta vs tors. theta energy: -84.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -751.731773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.731773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.731773 (E_RNA)
where:
Base-Base interactions energy: -19.964
where: short stacking energy: -19.964
Base-Backbone interact. energy: -0.000
local terms energy: -731.767666
where:
bonds (distance) C4'-P energy: -182.657
bonds (distance) P-C4' energy: -169.089
flat angles C4'-P-C4' energy: -138.034
flat angles P-C4'-P energy: -157.896
tors. eta vs tors. theta energy: -84.091
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: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -751.731773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.731773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.731773 (E_RNA)
where:
Base-Base interactions energy: -19.964
where: short stacking energy: -19.964
Base-Backbone interact. energy: -0.000
local terms energy: -731.767666
where:
bonds (distance) C4'-P energy: -182.657
bonds (distance) P-C4' energy: -169.089
flat angles C4'-P-C4' energy: -138.034
flat angles P-C4'-P energy: -157.896
tors. eta vs tors. theta energy: -84.091
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -751.731773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.731773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.731773 (E_RNA)
where:
Base-Base interactions energy: -19.964
where: short stacking energy: -19.964
Base-Backbone interact. energy: -0.000
local terms energy: -731.767666
where:
bonds (distance) C4'-P energy: -182.657
bonds (distance) P-C4' energy: -169.089
flat angles C4'-P-C4' energy: -138.034
flat angles P-C4'-P energy: -157.896
tors. eta vs tors. theta energy: -84.091
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: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -751.731773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.731773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.731773 (E_RNA)
where:
Base-Base interactions energy: -19.964
where: short stacking energy: -19.964
Base-Backbone interact. energy: -0.000
local terms energy: -731.767666
where:
bonds (distance) C4'-P energy: -182.657
bonds (distance) P-C4' energy: -169.089
flat angles C4'-P-C4' energy: -138.034
flat angles P-C4'-P energy: -157.896
tors. eta vs tors. theta energy: -84.091
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: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -751.731773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.731773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.731773 (E_RNA)
where:
Base-Base interactions energy: -19.964
where: short stacking energy: -19.964
Base-Backbone interact. energy: -0.000
local terms energy: -731.767666
where:
bonds (distance) C4'-P energy: -182.657
bonds (distance) P-C4' energy: -169.089
flat angles C4'-P-C4' energy: -138.034
flat angles P-C4'-P energy: -157.896
tors. eta vs tors. theta energy: -84.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -751.731773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.731773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.731773 (E_RNA)
where:
Base-Base interactions energy: -19.964
where: short stacking energy: -19.964
Base-Backbone interact. energy: -0.000
local terms energy: -731.767666
where:
bonds (distance) C4'-P energy: -182.657
bonds (distance) P-C4' energy: -169.089
flat angles C4'-P-C4' energy: -138.034
flat angles P-C4'-P energy: -157.896
tors. eta vs tors. theta energy: -84.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -751.731773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.731773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.731773 (E_RNA)
where:
Base-Base interactions energy: -19.964
where: short stacking energy: -19.964
Base-Backbone interact. energy: -0.000
local terms energy: -731.767666
where:
bonds (distance) C4'-P energy: -182.657
bonds (distance) P-C4' energy: -169.089
flat angles C4'-P-C4' energy: -138.034
flat angles P-C4'-P energy: -157.896
tors. eta vs tors. theta energy: -84.091
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: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -751.731773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.731773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.731773 (E_RNA)
where:
Base-Base interactions energy: -19.964
where: short stacking energy: -19.964
Base-Backbone interact. energy: -0.000
local terms energy: -731.767666
where:
bonds (distance) C4'-P energy: -182.657
bonds (distance) P-C4' energy: -169.089
flat angles C4'-P-C4' energy: -138.034
flat angles P-C4'-P energy: -157.896
tors. eta vs tors. theta energy: -84.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -923.499402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.499402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.499402 (E_RNA)
where:
Base-Base interactions energy: -385.967
where: short stacking energy: -385.967
Base-Backbone interact. energy: -0.379
local terms energy: -537.153376
where:
bonds (distance) C4'-P energy: -102.667
bonds (distance) P-C4' energy: -125.875
flat angles C4'-P-C4' energy: -132.911
flat angles P-C4'-P energy: -82.145
tors. eta vs tors. theta energy: -93.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -894.994457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.994457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.994457 (E_RNA)
where:
Base-Base interactions energy: -389.803
where: short stacking energy: -387.656
Base-Backbone interact. energy: 0.308
local terms energy: -505.500313
where:
bonds (distance) C4'-P energy: -121.082
bonds (distance) P-C4' energy: -110.117
flat angles C4'-P-C4' energy: -116.408
flat angles P-C4'-P energy: -79.949
tors. eta vs tors. theta energy: -77.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -801.304445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.304445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.304445 (E_RNA)
where:
Base-Base interactions energy: -323.645
where: short stacking energy: -308.104
Base-Backbone interact. energy: -0.265
local terms energy: -477.394719
where:
bonds (distance) C4'-P energy: -110.156
bonds (distance) P-C4' energy: -116.633
flat angles C4'-P-C4' energy: -116.917
flat angles P-C4'-P energy: -60.224
tors. eta vs tors. theta energy: -73.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -769.508680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.508680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.508680 (E_RNA)
where:
Base-Base interactions energy: -309.655
where: short stacking energy: -298.340
Base-Backbone interact. energy: -0.181
local terms energy: -459.672146
where:
bonds (distance) C4'-P energy: -114.361
bonds (distance) P-C4' energy: -111.666
flat angles C4'-P-C4' energy: -109.486
flat angles P-C4'-P energy: -58.001
tors. eta vs tors. theta energy: -66.158
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -750.433812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.433812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.433812 (E_RNA)
where:
Base-Base interactions energy: -22.265
where: short stacking energy: -22.265
Base-Backbone interact. energy: -0.000
local terms energy: -728.168649
where:
bonds (distance) C4'-P energy: -181.803
bonds (distance) P-C4' energy: -166.347
flat angles C4'-P-C4' energy: -138.093
flat angles P-C4'-P energy: -157.585
tors. eta vs tors. theta energy: -84.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -750.653155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.653155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.653155 (E_RNA)
where:
Base-Base interactions energy: -22.484
where: short stacking energy: -22.484
Base-Backbone interact. energy: -0.000
local terms energy: -728.168649
where:
bonds (distance) C4'-P energy: -181.803
bonds (distance) P-C4' energy: -166.347
flat angles C4'-P-C4' energy: -138.093
flat angles P-C4'-P energy: -157.585
tors. eta vs tors. theta energy: -84.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -750.456266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.456266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.456266 (E_RNA)
where:
Base-Base interactions energy: -22.482
where: short stacking energy: -22.482
Base-Backbone interact. energy: -0.000
local terms energy: -727.973655
where:
bonds (distance) C4'-P energy: -181.803
bonds (distance) P-C4' energy: -166.347
flat angles C4'-P-C4' energy: -137.898
flat angles P-C4'-P energy: -157.585
tors. eta vs tors. theta energy: -84.341
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -750.454338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.454338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.454338 (E_RNA)
where:
Base-Base interactions energy: -22.481
where: short stacking energy: -22.481
Base-Backbone interact. energy: -0.000
local terms energy: -727.973655
where:
bonds (distance) C4'-P energy: -181.803
bonds (distance) P-C4' energy: -166.347
flat angles C4'-P-C4' energy: -137.898
flat angles P-C4'-P energy: -157.585
tors. eta vs tors. theta energy: -84.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -750.308265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.308265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.308265 (E_RNA)
where:
Base-Base interactions energy: -22.479
where: short stacking energy: -22.479
Base-Backbone interact. energy: -0.000
local terms energy: -727.829528
where:
bonds (distance) C4'-P energy: -181.803
bonds (distance) P-C4' energy: -166.347
flat angles C4'-P-C4' energy: -137.898
flat angles P-C4'-P energy: -157.585
tors. eta vs tors. theta energy: -84.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -752.755372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.755372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.755372 (E_RNA)
where:
Base-Base interactions energy: -46.108
where: short stacking energy: -46.108
Base-Backbone interact. energy: -0.000
local terms energy: -706.647427
where:
bonds (distance) C4'-P energy: -169.708
bonds (distance) P-C4' energy: -156.591
flat angles C4'-P-C4' energy: -137.717
flat angles P-C4'-P energy: -154.954
tors. eta vs tors. theta energy: -87.678
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -991.223989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.223989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.223989 (E_RNA)
where:
Base-Base interactions energy: -420.703
where: short stacking energy: -408.284
Base-Backbone interact. energy: -1.044
local terms energy: -569.476683
where:
bonds (distance) C4'-P energy: -128.281
bonds (distance) P-C4' energy: -125.541
flat angles C4'-P-C4' energy: -126.933
flat angles P-C4'-P energy: -79.797
tors. eta vs tors. theta energy: -108.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -883.070416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.070416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.070416 (E_RNA)
where:
Base-Base interactions energy: -397.954
where: short stacking energy: -397.294
Base-Backbone interact. energy: -0.476
local terms energy: -484.640143
where:
bonds (distance) C4'-P energy: -112.951
bonds (distance) P-C4' energy: -112.173
flat angles C4'-P-C4' energy: -114.584
flat angles P-C4'-P energy: -72.028
tors. eta vs tors. theta energy: -72.904
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: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -832.644457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.644457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.644457 (E_RNA)
where:
Base-Base interactions energy: -358.241
where: short stacking energy: -339.585
Base-Backbone interact. energy: -0.291
local terms energy: -474.112634
where:
bonds (distance) C4'-P energy: -100.842
bonds (distance) P-C4' energy: -124.239
flat angles C4'-P-C4' energy: -104.035
flat angles P-C4'-P energy: -62.759
tors. eta vs tors. theta energy: -82.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -794.304620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.304620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.304620 (E_RNA)
where:
Base-Base interactions energy: -338.238
where: short stacking energy: -274.969
Base-Backbone interact. energy: -0.288
local terms energy: -455.778770
where:
bonds (distance) C4'-P energy: -112.627
bonds (distance) P-C4' energy: -122.864
flat angles C4'-P-C4' energy: -109.232
flat angles P-C4'-P energy: -54.877
tors. eta vs tors. theta energy: -56.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -700.844953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.844953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.844953 (E_RNA)
where:
Base-Base interactions energy: -266.850
where: short stacking energy: -259.573
Base-Backbone interact. energy: -0.125
local terms energy: -433.870525
where:
bonds (distance) C4'-P energy: -103.290
bonds (distance) P-C4' energy: -102.564
flat angles C4'-P-C4' energy: -97.585
flat angles P-C4'-P energy: -71.559
tors. eta vs tors. theta energy: -58.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -668.474598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.474598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.474598 (E_RNA)
where:
Base-Base interactions energy: -290.827
where: short stacking energy: -234.097
Base-Backbone interact. energy: -0.973
local terms energy: -376.674275
where:
bonds (distance) C4'-P energy: -101.247
bonds (distance) P-C4' energy: -101.823
flat angles C4'-P-C4' energy: -97.001
flat angles P-C4'-P energy: -39.003
tors. eta vs tors. theta energy: -37.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -603.520742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.520742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.520742 (E_RNA)
where:
Base-Base interactions energy: -215.980
where: short stacking energy: -192.513
Base-Backbone interact. energy: -0.653
local terms energy: -386.887316
where:
bonds (distance) C4'-P energy: -84.997
bonds (distance) P-C4' energy: -111.019
flat angles C4'-P-C4' energy: -106.895
flat angles P-C4'-P energy: -56.738
tors. eta vs tors. theta energy: -27.239
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: 8, replica: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -539.047092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.047092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.047092 (E_RNA)
where:
Base-Base interactions energy: -207.716
where: short stacking energy: -182.941
Base-Backbone interact. energy: 1.285
local terms energy: -332.615749
where:
bonds (distance) C4'-P energy: -96.486
bonds (distance) P-C4' energy: -104.292
flat angles C4'-P-C4' energy: -79.253
flat angles P-C4'-P energy: -50.588
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -492.083777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.083777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.083777 (E_RNA)
where:
Base-Base interactions energy: -180.907
where: short stacking energy: -141.432
Base-Backbone interact. energy: 1.175
local terms energy: -312.351841
where:
bonds (distance) C4'-P energy: -95.627
bonds (distance) P-C4' energy: -92.785
flat angles C4'-P-C4' energy: -93.922
flat angles P-C4'-P energy: -32.793
tors. eta vs tors. theta energy: 2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -468.353198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.353198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.353198 (E_RNA)
where:
Base-Base interactions energy: -170.001
where: short stacking energy: -150.063
Base-Backbone interact. energy: 0.490
local terms energy: -298.842930
where:
bonds (distance) C4'-P energy: -105.167
bonds (distance) P-C4' energy: -96.678
flat angles C4'-P-C4' energy: -63.732
flat angles P-C4'-P energy: -48.628
tors. eta vs tors. theta energy: 15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1086.830954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.830954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.830954 (E_RNA)
where:
Base-Base interactions energy: -534.023
where: short stacking energy: -438.166
Base-Backbone interact. energy: -0.338
local terms energy: -552.470393
where:
bonds (distance) C4'-P energy: -116.790
bonds (distance) P-C4' energy: -121.281
flat angles C4'-P-C4' energy: -124.673
flat angles P-C4'-P energy: -79.701
tors. eta vs tors. theta energy: -110.024
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: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -964.232264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.232264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.232264 (E_RNA)
where:
Base-Base interactions energy: -450.050
where: short stacking energy: -383.806
Base-Backbone interact. energy: -0.965
local terms energy: -513.216917
where:
bonds (distance) C4'-P energy: -112.851
bonds (distance) P-C4' energy: -128.702
flat angles C4'-P-C4' energy: -119.237
flat angles P-C4'-P energy: -66.178
tors. eta vs tors. theta energy: -86.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -908.904470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.904470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.904470 (E_RNA)
where:
Base-Base interactions energy: -442.029
where: short stacking energy: -330.204
Base-Backbone interact. energy: -1.368
local terms energy: -465.507734
where:
bonds (distance) C4'-P energy: -101.199
bonds (distance) P-C4' energy: -105.216
flat angles C4'-P-C4' energy: -114.782
flat angles P-C4'-P energy: -74.518
tors. eta vs tors. theta energy: -69.792
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: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -757.363617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.363617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.363617 (E_RNA)
where:
Base-Base interactions energy: -317.320
where: short stacking energy: -249.225
Base-Backbone interact. energy: -2.134
local terms energy: -437.909005
where:
bonds (distance) C4'-P energy: -107.578
bonds (distance) P-C4' energy: -113.898
flat angles C4'-P-C4' energy: -105.319
flat angles P-C4'-P energy: -73.150
tors. eta vs tors. theta energy: -37.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -706.616665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.616665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.616665 (E_RNA)
where:
Base-Base interactions energy: -298.692
where: short stacking energy: -274.320
Base-Backbone interact. energy: -0.996
local terms energy: -406.929285
where:
bonds (distance) C4'-P energy: -89.731
bonds (distance) P-C4' energy: -120.122
flat angles C4'-P-C4' energy: -102.933
flat angles P-C4'-P energy: -47.401
tors. eta vs tors. theta energy: -46.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -779.536556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.536556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.536556 (E_RNA)
where:
Base-Base interactions energy: -377.123
where: short stacking energy: -251.922
Base-Backbone interact. energy: -0.322
local terms energy: -402.090868
where:
bonds (distance) C4'-P energy: -95.390
bonds (distance) P-C4' energy: -104.654
flat angles C4'-P-C4' energy: -104.493
flat angles P-C4'-P energy: -56.047
tors. eta vs tors. theta energy: -41.507
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: 8
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -672.768680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.768680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.768680 (E_RNA)
where:
Base-Base interactions energy: -288.467
where: short stacking energy: -197.583
Base-Backbone interact. energy: -0.068
local terms energy: -384.234107
where:
bonds (distance) C4'-P energy: -86.902
bonds (distance) P-C4' energy: -94.786
flat angles C4'-P-C4' energy: -102.972
flat angles P-C4'-P energy: -72.126
tors. eta vs tors. theta energy: -27.449
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: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -531.016006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.016006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.016006 (E_RNA)
where:
Base-Base interactions energy: -196.133
where: short stacking energy: -177.158
Base-Backbone interact. energy: -2.023
local terms energy: -332.860122
where:
bonds (distance) C4'-P energy: -78.449
bonds (distance) P-C4' energy: -101.705
flat angles C4'-P-C4' energy: -106.055
flat angles P-C4'-P energy: -46.251
tors. eta vs tors. theta energy: -0.400
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: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -490.709757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.709757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.709757 (E_RNA)
where:
Base-Base interactions energy: -177.563
where: short stacking energy: -145.920
Base-Backbone interact. energy: -0.666
local terms energy: -312.480910
where:
bonds (distance) C4'-P energy: -82.241
bonds (distance) P-C4' energy: -117.880
flat angles C4'-P-C4' energy: -78.389
flat angles P-C4'-P energy: -37.577
tors. eta vs tors. theta energy: 3.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -471.828632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.828632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.828632 (E_RNA)
where:
Base-Base interactions energy: -181.337
where: short stacking energy: -133.714
Base-Backbone interact. energy: 0.405
local terms energy: -290.896243
where:
bonds (distance) C4'-P energy: -77.641
bonds (distance) P-C4' energy: -115.081
flat angles C4'-P-C4' energy: -86.604
flat angles P-C4'-P energy: -38.531
tors. eta vs tors. theta energy: 26.960
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: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1144.671853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.671853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.671853 (E_RNA)
where:
Base-Base interactions energy: -595.856
where: short stacking energy: -469.996
Base-Backbone interact. energy: -0.322
local terms energy: -548.493993
where:
bonds (distance) C4'-P energy: -105.940
bonds (distance) P-C4' energy: -129.858
flat angles C4'-P-C4' energy: -124.153
flat angles P-C4'-P energy: -70.105
tors. eta vs tors. theta energy: -118.438
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: 2, replica: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1015.352853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.352853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.352853 (E_RNA)
where:
Base-Base interactions energy: -513.106
where: short stacking energy: -380.299
Base-Backbone interact. energy: -1.659
local terms energy: -500.587488
where:
bonds (distance) C4'-P energy: -108.643
bonds (distance) P-C4' energy: -113.376
flat angles C4'-P-C4' energy: -109.976
flat angles P-C4'-P energy: -76.420
tors. eta vs tors. theta energy: -92.173
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: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -991.218434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.218434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.218434 (E_RNA)
where:
Base-Base interactions energy: -502.664
where: short stacking energy: -322.256
Base-Backbone interact. energy: -1.154
local terms energy: -487.400206
where:
bonds (distance) C4'-P energy: -122.536
bonds (distance) P-C4' energy: -108.966
flat angles C4'-P-C4' energy: -107.405
flat angles P-C4'-P energy: -76.867
tors. eta vs tors. theta energy: -71.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -856.774570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.774570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.774570 (E_RNA)
where:
Base-Base interactions energy: -388.885
where: short stacking energy: -289.281
Base-Backbone interact. energy: -3.865
local terms energy: -464.024885
where:
bonds (distance) C4'-P energy: -105.345
bonds (distance) P-C4' energy: -117.537
flat angles C4'-P-C4' energy: -105.357
flat angles P-C4'-P energy: -69.810
tors. eta vs tors. theta energy: -65.975
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: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -671.518290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.518290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.518290 (E_RNA)
where:
Base-Base interactions energy: -303.612
where: short stacking energy: -225.642
Base-Backbone interact. energy: 2.406
local terms energy: -370.311946
where:
bonds (distance) C4'-P energy: -82.548
bonds (distance) P-C4' energy: -106.535
flat angles C4'-P-C4' energy: -98.093
flat angles P-C4'-P energy: -64.406
tors. eta vs tors. theta energy: -18.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -873.365461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.365461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.365461 (E_RNA)
where:
Base-Base interactions energy: -443.279
where: short stacking energy: -257.934
Base-Backbone interact. energy: -1.778
local terms energy: -428.309095
where:
bonds (distance) C4'-P energy: -103.130
bonds (distance) P-C4' energy: -101.609
flat angles C4'-P-C4' energy: -116.871
flat angles P-C4'-P energy: -55.097
tors. eta vs tors. theta energy: -51.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -658.333285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.333285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.333285 (E_RNA)
where:
Base-Base interactions energy: -292.824
where: short stacking energy: -199.154
Base-Backbone interact. energy: -2.861
local terms energy: -362.647468
where:
bonds (distance) C4'-P energy: -88.424
bonds (distance) P-C4' energy: -102.829
flat angles C4'-P-C4' energy: -104.144
flat angles P-C4'-P energy: -56.605
tors. eta vs tors. theta energy: -10.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -576.778546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.778546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.778546 (E_RNA)
where:
Base-Base interactions energy: -220.579
where: short stacking energy: -161.703
Base-Backbone interact. energy: 0.045
local terms energy: -356.245360
where:
bonds (distance) C4'-P energy: -108.206
bonds (distance) P-C4' energy: -97.425
flat angles C4'-P-C4' energy: -71.832
flat angles P-C4'-P energy: -65.289
tors. eta vs tors. theta energy: -13.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -496.740582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.740582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.740582 (E_RNA)
where:
Base-Base interactions energy: -184.992
where: short stacking energy: -150.816
Base-Backbone interact. energy: 0.175
local terms energy: -311.924190
where:
bonds (distance) C4'-P energy: -95.723
bonds (distance) P-C4' energy: -94.948
flat angles C4'-P-C4' energy: -88.574
flat angles P-C4'-P energy: -41.003
tors. eta vs tors. theta energy: 8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -501.160541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.160541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.160541 (E_RNA)
where:
Base-Base interactions energy: -207.566
where: short stacking energy: -136.608
Base-Backbone interact. energy: 0.394
local terms energy: -293.989027
where:
bonds (distance) C4'-P energy: -108.116
bonds (distance) P-C4' energy: -92.324
flat angles C4'-P-C4' energy: -75.277
flat angles P-C4'-P energy: -33.429
tors. eta vs tors. theta energy: 15.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1177.071209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.071209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.071209 (E_RNA)
where:
Base-Base interactions energy: -613.967
where: short stacking energy: -452.402
Base-Backbone interact. energy: -2.464
local terms energy: -560.640949
where:
bonds (distance) C4'-P energy: -103.702
bonds (distance) P-C4' energy: -124.831
flat angles C4'-P-C4' energy: -132.556
flat angles P-C4'-P energy: -76.502
tors. eta vs tors. theta energy: -123.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1082.696063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.696063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.696063 (E_RNA)
where:
Base-Base interactions energy: -567.379
where: short stacking energy: -389.814
Base-Backbone interact. energy: -1.937
local terms energy: -513.380810
where:
bonds (distance) C4'-P energy: -108.806
bonds (distance) P-C4' energy: -111.043
flat angles C4'-P-C4' energy: -106.864
flat angles P-C4'-P energy: -86.212
tors. eta vs tors. theta energy: -100.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1101.058948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.058948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.058948 (E_RNA)
where:
Base-Base interactions energy: -587.315
where: short stacking energy: -384.194
Base-Backbone interact. energy: -2.590
local terms energy: -511.153383
where:
bonds (distance) C4'-P energy: -119.321
bonds (distance) P-C4' energy: -115.762
flat angles C4'-P-C4' energy: -112.529
flat angles P-C4'-P energy: -78.793
tors. eta vs tors. theta energy: -84.748
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: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -903.612582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.612582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.612582 (E_RNA)
where:
Base-Base interactions energy: -460.876
where: short stacking energy: -302.945
Base-Backbone interact. energy: 1.015
local terms energy: -443.751227
where:
bonds (distance) C4'-P energy: -100.635
bonds (distance) P-C4' energy: -104.901
flat angles C4'-P-C4' energy: -112.989
flat angles P-C4'-P energy: -76.770
tors. eta vs tors. theta energy: -48.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -940.589755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.589755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.589755 (E_RNA)
where:
Base-Base interactions energy: -470.727
where: short stacking energy: -289.241
Base-Backbone interact. energy: 4.755
local terms energy: -474.617732
where:
bonds (distance) C4'-P energy: -115.415
bonds (distance) P-C4' energy: -121.396
flat angles C4'-P-C4' energy: -114.183
flat angles P-C4'-P energy: -71.688
tors. eta vs tors. theta energy: -51.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -655.878771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.878771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.878771 (E_RNA)
where:
Base-Base interactions energy: -280.085
where: short stacking energy: -209.253
Base-Backbone interact. energy: -0.299
local terms energy: -375.494729
where:
bonds (distance) C4'-P energy: -107.355
bonds (distance) P-C4' energy: -100.736
flat angles C4'-P-C4' energy: -86.270
flat angles P-C4'-P energy: -69.860
tors. eta vs tors. theta energy: -11.274
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: 7, replica: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -620.418270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.418270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.418270 (E_RNA)
where:
Base-Base interactions energy: -261.927
where: short stacking energy: -205.368
Base-Backbone interact. energy: 2.412
local terms energy: -360.902601
where:
bonds (distance) C4'-P energy: -91.009
bonds (distance) P-C4' energy: -109.990
flat angles C4'-P-C4' energy: -75.054
flat angles P-C4'-P energy: -65.963
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -602.701566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.701566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.701566 (E_RNA)
where:
Base-Base interactions energy: -258.843
where: short stacking energy: -178.574
Base-Backbone interact. energy: -2.645
local terms energy: -341.213973
where:
bonds (distance) C4'-P energy: -103.144
bonds (distance) P-C4' energy: -100.527
flat angles C4'-P-C4' energy: -79.902
flat angles P-C4'-P energy: -48.840
tors. eta vs tors. theta energy: -8.801
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: 9
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -557.085849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.085849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.085849 (E_RNA)
where:
Base-Base interactions energy: -232.876
where: short stacking energy: -147.176
Base-Backbone interact. energy: 0.587
local terms energy: -324.796730
where:
bonds (distance) C4'-P energy: -92.298
bonds (distance) P-C4' energy: -104.855
flat angles C4'-P-C4' energy: -100.002
flat angles P-C4'-P energy: -40.051
tors. eta vs tors. theta energy: 12.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -525.979924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.979924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.979924 (E_RNA)
where:
Base-Base interactions energy: -218.900
where: short stacking energy: -144.957
Base-Backbone interact. energy: 0.376
local terms energy: -307.455332
where:
bonds (distance) C4'-P energy: -98.453
bonds (distance) P-C4' energy: -93.873
flat angles C4'-P-C4' energy: -89.637
flat angles P-C4'-P energy: -44.311
tors. eta vs tors. theta energy: 18.818
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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1226.237875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.237875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.237875 (E_RNA)
where:
Base-Base interactions energy: -695.737
where: short stacking energy: -447.499
Base-Backbone interact. energy: 0.511
local terms energy: -531.011500
where:
bonds (distance) C4'-P energy: -118.368
bonds (distance) P-C4' energy: -116.250
flat angles C4'-P-C4' energy: -113.371
flat angles P-C4'-P energy: -76.003
tors. eta vs tors. theta energy: -107.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -1106.558325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.558325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.558325 (E_RNA)
where:
Base-Base interactions energy: -596.954
where: short stacking energy: -378.437
Base-Backbone interact. energy: -1.980
local terms energy: -507.624342
where:
bonds (distance) C4'-P energy: -106.416
bonds (distance) P-C4' energy: -119.277
flat angles C4'-P-C4' energy: -119.504
flat angles P-C4'-P energy: -79.851
tors. eta vs tors. theta energy: -82.577
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: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1018.725046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.725046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.725046 (E_RNA)
where:
Base-Base interactions energy: -526.985
where: short stacking energy: -349.114
Base-Backbone interact. energy: 4.278
local terms energy: -496.017334
where:
bonds (distance) C4'-P energy: -108.033
bonds (distance) P-C4' energy: -120.052
flat angles C4'-P-C4' energy: -111.902
flat angles P-C4'-P energy: -80.717
tors. eta vs tors. theta energy: -75.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1059.451181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.451181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.451181 (E_RNA)
where:
Base-Base interactions energy: -609.725
where: short stacking energy: -337.529
Base-Backbone interact. energy: 4.262
local terms energy: -453.988397
where:
bonds (distance) C4'-P energy: -87.025
bonds (distance) P-C4' energy: -121.499
flat angles C4'-P-C4' energy: -115.445
flat angles P-C4'-P energy: -57.224
tors. eta vs tors. theta energy: -72.795
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: 4
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -836.460104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.460104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.460104 (E_RNA)
where:
Base-Base interactions energy: -402.423
where: short stacking energy: -264.166
Base-Backbone interact. energy: 0.681
local terms energy: -434.717915
where:
bonds (distance) C4'-P energy: -100.324
bonds (distance) P-C4' energy: -112.435
flat angles C4'-P-C4' energy: -109.516
flat angles P-C4'-P energy: -65.494
tors. eta vs tors. theta energy: -46.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -739.750702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.750702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.750702 (E_RNA)
where:
Base-Base interactions energy: -359.441
where: short stacking energy: -218.891
Base-Backbone interact. energy: 2.518
local terms energy: -382.827293
where:
bonds (distance) C4'-P energy: -113.290
bonds (distance) P-C4' energy: -100.356
flat angles C4'-P-C4' energy: -86.607
flat angles P-C4'-P energy: -64.328
tors. eta vs tors. theta energy: -18.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -714.216025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.216025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.216025 (E_RNA)
where:
Base-Base interactions energy: -349.015
where: short stacking energy: -223.017
Base-Backbone interact. energy: -0.232
local terms energy: -364.969607
where:
bonds (distance) C4'-P energy: -90.563
bonds (distance) P-C4' energy: -105.795
flat angles C4'-P-C4' energy: -89.192
flat angles P-C4'-P energy: -70.102
tors. eta vs tors. theta energy: -9.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -572.718734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.718734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.718734 (E_RNA)
where:
Base-Base interactions energy: -225.849
where: short stacking energy: -147.574
Base-Backbone interact. energy: -1.576
local terms energy: -345.293892
where:
bonds (distance) C4'-P energy: -106.444
bonds (distance) P-C4' energy: -105.486
flat angles C4'-P-C4' energy: -73.707
flat angles P-C4'-P energy: -54.387
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: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -603.261167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.261167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.261167 (E_RNA)
where:
Base-Base interactions energy: -285.855
where: short stacking energy: -168.317
Base-Backbone interact. energy: 0.365
local terms energy: -317.771161
where:
bonds (distance) C4'-P energy: -95.091
bonds (distance) P-C4' energy: -85.439
flat angles C4'-P-C4' energy: -91.603
flat angles P-C4'-P energy: -48.520
tors. eta vs tors. theta energy: 2.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -511.871537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.871537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.871537 (E_RNA)
where:
Base-Base interactions energy: -232.241
where: short stacking energy: -164.159
Base-Backbone interact. energy: 0.735
local terms energy: -280.365195
where:
bonds (distance) C4'-P energy: -61.352
bonds (distance) P-C4' energy: -107.243
flat angles C4'-P-C4' energy: -83.028
flat angles P-C4'-P energy: -44.960
tors. eta vs tors. theta energy: 16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1242.905183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.905183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.905183 (E_RNA)
where:
Base-Base interactions energy: -679.032
where: short stacking energy: -429.742
Base-Backbone interact. energy: -1.952
local terms energy: -561.920695
where:
bonds (distance) C4'-P energy: -113.727
bonds (distance) P-C4' energy: -122.620
flat angles C4'-P-C4' energy: -127.862
flat angles P-C4'-P energy: -73.638
tors. eta vs tors. theta energy: -124.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -1136.262033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.262033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.262033 (E_RNA)
where:
Base-Base interactions energy: -616.483
where: short stacking energy: -392.832
Base-Backbone interact. energy: -1.490
local terms energy: -518.289476
where:
bonds (distance) C4'-P energy: -110.318
bonds (distance) P-C4' energy: -116.984
flat angles C4'-P-C4' energy: -122.471
flat angles P-C4'-P energy: -77.059
tors. eta vs tors. theta energy: -91.458
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: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1151.780733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.780733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.780733 (E_RNA)
where:
Base-Base interactions energy: -635.658
where: short stacking energy: -354.344
Base-Backbone interact. energy: -3.592
local terms energy: -512.530642
where:
bonds (distance) C4'-P energy: -120.902
bonds (distance) P-C4' energy: -125.737
flat angles C4'-P-C4' energy: -101.393
flat angles P-C4'-P energy: -75.795
tors. eta vs tors. theta energy: -88.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -968.975231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.975231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.975231 (E_RNA)
where:
Base-Base interactions energy: -515.441
where: short stacking energy: -293.708
Base-Backbone interact. energy: -0.650
local terms energy: -452.883652
where:
bonds (distance) C4'-P energy: -100.973
bonds (distance) P-C4' energy: -113.307
flat angles C4'-P-C4' energy: -110.186
flat angles P-C4'-P energy: -77.513
tors. eta vs tors. theta energy: -50.906
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: 4
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -845.508844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.508844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.508844 (E_RNA)
where:
Base-Base interactions energy: -419.577
where: short stacking energy: -288.882
Base-Backbone interact. energy: 1.049
local terms energy: -426.980832
where:
bonds (distance) C4'-P energy: -99.160
bonds (distance) P-C4' energy: -110.691
flat angles C4'-P-C4' energy: -99.300
flat angles P-C4'-P energy: -70.692
tors. eta vs tors. theta energy: -47.138
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: 5
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -759.740552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.740552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.740552 (E_RNA)
where:
Base-Base interactions energy: -387.980
where: short stacking energy: -220.782
Base-Backbone interact. energy: -1.249
local terms energy: -370.510903
where:
bonds (distance) C4'-P energy: -101.787
bonds (distance) P-C4' energy: -113.912
flat angles C4'-P-C4' energy: -93.469
flat angles P-C4'-P energy: -57.101
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -688.064851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.064851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.064851 (E_RNA)
where:
Base-Base interactions energy: -344.864
where: short stacking energy: -195.103
Base-Backbone interact. energy: 4.583
local terms energy: -347.783944
where:
bonds (distance) C4'-P energy: -83.690
bonds (distance) P-C4' energy: -109.438
flat angles C4'-P-C4' energy: -91.117
flat angles P-C4'-P energy: -48.836
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -580.823533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.823533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.823533 (E_RNA)
where:
Base-Base interactions energy: -251.067
where: short stacking energy: -168.135
Base-Backbone interact. energy: 2.285
local terms energy: -332.040903
where:
bonds (distance) C4'-P energy: -94.531
bonds (distance) P-C4' energy: -107.886
flat angles C4'-P-C4' energy: -93.618
flat angles P-C4'-P energy: -52.307
tors. eta vs tors. theta energy: 16.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -640.207955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.207955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.207955 (E_RNA)
where:
Base-Base interactions energy: -284.789
where: short stacking energy: -168.362
Base-Backbone interact. energy: -4.327
local terms energy: -351.091715
where:
bonds (distance) C4'-P energy: -95.109
bonds (distance) P-C4' energy: -98.434
flat angles C4'-P-C4' energy: -98.390
flat angles P-C4'-P energy: -61.684
tors. eta vs tors. theta energy: 2.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -596.140397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.140397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.140397 (E_RNA)
where:
Base-Base interactions energy: -284.751
where: short stacking energy: -167.404
Base-Backbone interact. energy: 3.752
local terms energy: -315.141530
where:
bonds (distance) C4'-P energy: -85.967
bonds (distance) P-C4' energy: -92.856
flat angles C4'-P-C4' energy: -90.348
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -4.067
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: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1238.026885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.026885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.026885 (E_RNA)
where:
Base-Base interactions energy: -652.927
where: short stacking energy: -457.908
Base-Backbone interact. energy: -2.560
local terms energy: -582.540050
where:
bonds (distance) C4'-P energy: -117.127
bonds (distance) P-C4' energy: -126.685
flat angles C4'-P-C4' energy: -120.242
flat angles P-C4'-P energy: -80.562
tors. eta vs tors. theta energy: -137.925
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: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1315.332555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.332555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.332555 (E_RNA)
where:
Base-Base interactions energy: -789.622
where: short stacking energy: -438.821
Base-Backbone interact. energy: -1.660
local terms energy: -524.050751
where:
bonds (distance) C4'-P energy: -96.494
bonds (distance) P-C4' energy: -109.724
flat angles C4'-P-C4' energy: -126.312
flat angles P-C4'-P energy: -76.947
tors. eta vs tors. theta energy: -114.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1170.597632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.597632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.597632 (E_RNA)
where:
Base-Base interactions energy: -656.002
where: short stacking energy: -396.116
Base-Backbone interact. energy: -1.741
local terms energy: -512.854847
where:
bonds (distance) C4'-P energy: -106.525
bonds (distance) P-C4' energy: -104.789
flat angles C4'-P-C4' energy: -128.520
flat angles P-C4'-P energy: -72.321
tors. eta vs tors. theta energy: -100.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1002.963766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.963766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.963766 (E_RNA)
where:
Base-Base interactions energy: -544.075
where: short stacking energy: -318.766
Base-Backbone interact. energy: -1.525
local terms energy: -457.363537
where:
bonds (distance) C4'-P energy: -103.822
bonds (distance) P-C4' energy: -105.851
flat angles C4'-P-C4' energy: -104.000
flat angles P-C4'-P energy: -82.468
tors. eta vs tors. theta energy: -61.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -968.987181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.987181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.987181 (E_RNA)
where:
Base-Base interactions energy: -506.740
where: short stacking energy: -291.619
Base-Backbone interact. energy: -2.728
local terms energy: -459.519709
where:
bonds (distance) C4'-P energy: -110.196
bonds (distance) P-C4' energy: -110.457
flat angles C4'-P-C4' energy: -95.478
flat angles P-C4'-P energy: -81.091
tors. eta vs tors. theta energy: -62.298
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: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -783.454494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.454494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.454494 (E_RNA)
where:
Base-Base interactions energy: -386.364
where: short stacking energy: -227.150
Base-Backbone interact. energy: 0.892
local terms energy: -397.982173
where:
bonds (distance) C4'-P energy: -96.808
bonds (distance) P-C4' energy: -113.659
flat angles C4'-P-C4' energy: -91.566
flat angles P-C4'-P energy: -67.883
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: 7, replica: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -762.372521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.372521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.372521 (E_RNA)
where:
Base-Base interactions energy: -373.850
where: short stacking energy: -225.627
Base-Backbone interact. energy: 3.859
local terms energy: -392.381920
where:
bonds (distance) C4'-P energy: -113.304
bonds (distance) P-C4' energy: -98.808
flat angles C4'-P-C4' energy: -92.087
flat angles P-C4'-P energy: -60.867
tors. eta vs tors. theta energy: -27.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -632.326375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.326375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.326375 (E_RNA)
where:
Base-Base interactions energy: -249.464
where: short stacking energy: -179.779
Base-Backbone interact. energy: -1.345
local terms energy: -381.517450
where:
bonds (distance) C4'-P energy: -98.702
bonds (distance) P-C4' energy: -114.685
flat angles C4'-P-C4' energy: -96.241
flat angles P-C4'-P energy: -55.171
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: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -517.883525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.883525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.883525 (E_RNA)
where:
Base-Base interactions energy: -210.997
where: short stacking energy: -131.876
Base-Backbone interact. energy: -0.324
local terms energy: -306.563420
where:
bonds (distance) C4'-P energy: -92.964
bonds (distance) P-C4' energy: -96.649
flat angles C4'-P-C4' energy: -75.393
flat angles P-C4'-P energy: -52.300
tors. eta vs tors. theta energy: 10.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -584.705463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.705463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.705463 (E_RNA)
where:
Base-Base interactions energy: -282.932
where: short stacking energy: -194.231
Base-Backbone interact. energy: 3.445
local terms energy: -305.218717
where:
bonds (distance) C4'-P energy: -80.420
bonds (distance) P-C4' energy: -90.543
flat angles C4'-P-C4' energy: -91.024
flat angles P-C4'-P energy: -36.612
tors. eta vs tors. theta energy: -6.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1409.624234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.624234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.624234 (E_RNA)
where:
Base-Base interactions energy: -845.881
where: short stacking energy: -463.294
Base-Backbone interact. energy: 2.606
local terms energy: -566.349429
where:
bonds (distance) C4'-P energy: -113.839
bonds (distance) P-C4' energy: -127.090
flat angles C4'-P-C4' energy: -128.124
flat angles P-C4'-P energy: -80.434
tors. eta vs tors. theta energy: -116.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -1182.989227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.989227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.989227 (E_RNA)
where:
Base-Base interactions energy: -638.353
where: short stacking energy: -386.073
Base-Backbone interact. energy: 2.322
local terms energy: -546.957464
where:
bonds (distance) C4'-P energy: -128.092
bonds (distance) P-C4' energy: -118.414
flat angles C4'-P-C4' energy: -108.707
flat angles P-C4'-P energy: -90.860
tors. eta vs tors. theta energy: -100.884
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: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1154.305554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.305554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.305554 (E_RNA)
where:
Base-Base interactions energy: -650.025
where: short stacking energy: -421.361
Base-Backbone interact. energy: -0.656
local terms energy: -503.623797
where:
bonds (distance) C4'-P energy: -112.207
bonds (distance) P-C4' energy: -107.675
flat angles C4'-P-C4' energy: -116.453
flat angles P-C4'-P energy: -64.728
tors. eta vs tors. theta energy: -102.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1090.778359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.778359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.778359 (E_RNA)
where:
Base-Base interactions energy: -632.230
where: short stacking energy: -323.440
Base-Backbone interact. energy: -1.863
local terms energy: -456.685468
where:
bonds (distance) C4'-P energy: -111.745
bonds (distance) P-C4' energy: -116.464
flat angles C4'-P-C4' energy: -104.611
flat angles P-C4'-P energy: -55.531
tors. eta vs tors. theta energy: -68.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -963.807657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.807657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.807657 (E_RNA)
where:
Base-Base interactions energy: -523.000
where: short stacking energy: -312.594
Base-Backbone interact. energy: -0.264
local terms energy: -440.544112
where:
bonds (distance) C4'-P energy: -104.677
bonds (distance) P-C4' energy: -107.145
flat angles C4'-P-C4' energy: -96.759
flat angles P-C4'-P energy: -57.880
tors. eta vs tors. theta energy: -74.083
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: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -820.665078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.665078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.665078 (E_RNA)
where:
Base-Base interactions energy: -436.035
where: short stacking energy: -263.328
Base-Backbone interact. energy: 0.561
local terms energy: -385.190766
where:
bonds (distance) C4'-P energy: -100.665
bonds (distance) P-C4' energy: -94.721
flat angles C4'-P-C4' energy: -88.401
flat angles P-C4'-P energy: -61.669
tors. eta vs tors. theta energy: -39.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -800.783535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.783535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.783535 (E_RNA)
where:
Base-Base interactions energy: -415.992
where: short stacking energy: -239.086
Base-Backbone interact. energy: -0.689
local terms energy: -384.102487
where:
bonds (distance) C4'-P energy: -105.204
bonds (distance) P-C4' energy: -106.942
flat angles C4'-P-C4' energy: -96.051
flat angles P-C4'-P energy: -51.442
tors. eta vs tors. theta energy: -24.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -578.864314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.864314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.864314 (E_RNA)
where:
Base-Base interactions energy: -252.955
where: short stacking energy: -163.668
Base-Backbone interact. energy: -1.915
local terms energy: -323.994245
where:
bonds (distance) C4'-P energy: -90.594
bonds (distance) P-C4' energy: -90.611
flat angles C4'-P-C4' energy: -95.967
flat angles P-C4'-P energy: -51.698
tors. eta vs tors. theta energy: 4.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -601.467262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.467262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.467262 (E_RNA)
where:
Base-Base interactions energy: -280.279
where: short stacking energy: -174.218
Base-Backbone interact. energy: -2.666
local terms energy: -318.522386
where:
bonds (distance) C4'-P energy: -95.661
bonds (distance) P-C4' energy: -82.280
flat angles C4'-P-C4' energy: -74.970
flat angles P-C4'-P energy: -66.577
tors. eta vs tors. theta energy: 0.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -511.774275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.774275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.774275 (E_RNA)
where:
Base-Base interactions energy: -211.610
where: short stacking energy: -130.590
Base-Backbone interact. energy: -5.611
local terms energy: -294.553321
where:
bonds (distance) C4'-P energy: -103.400
bonds (distance) P-C4' energy: -87.139
flat angles C4'-P-C4' energy: -85.535
flat angles P-C4'-P energy: -34.559
tors. eta vs tors. theta energy: 16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1408.337690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.337690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.337690 (E_RNA)
where:
Base-Base interactions energy: -849.201
where: short stacking energy: -444.360
Base-Backbone interact. energy: -0.961
local terms energy: -558.175005
where:
bonds (distance) C4'-P energy: -109.627
bonds (distance) P-C4' energy: -120.848
flat angles C4'-P-C4' energy: -125.553
flat angles P-C4'-P energy: -80.426
tors. eta vs tors. theta energy: -121.720
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: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1249.358403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.358403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.358403 (E_RNA)
where:
Base-Base interactions energy: -721.791
where: short stacking energy: -396.705
Base-Backbone interact. energy: -1.444
local terms energy: -526.122992
where:
bonds (distance) C4'-P energy: -109.470
bonds (distance) P-C4' energy: -115.205
flat angles C4'-P-C4' energy: -116.801
flat angles P-C4'-P energy: -76.014
tors. eta vs tors. theta energy: -108.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1126.910846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.910846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.910846 (E_RNA)
where:
Base-Base interactions energy: -630.075
where: short stacking energy: -360.232
Base-Backbone interact. energy: -1.953
local terms energy: -494.882973
where:
bonds (distance) C4'-P energy: -104.555
bonds (distance) P-C4' energy: -127.455
flat angles C4'-P-C4' energy: -114.217
flat angles P-C4'-P energy: -56.314
tors. eta vs tors. theta energy: -92.343
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: 11
Temperature: 1.050000
Total energy: -1069.851096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.851096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.851096 (E_RNA)
where:
Base-Base interactions energy: -604.238
where: short stacking energy: -323.638
Base-Backbone interact. energy: 3.336
local terms energy: -468.949112
where:
bonds (distance) C4'-P energy: -104.183
bonds (distance) P-C4' energy: -117.158
flat angles C4'-P-C4' energy: -107.110
flat angles P-C4'-P energy: -71.131
tors. eta vs tors. theta energy: -69.366
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: 4
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -962.857856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.857856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.857856 (E_RNA)
where:
Base-Base interactions energy: -541.648
where: short stacking energy: -308.431
Base-Backbone interact. energy: -5.117
local terms energy: -416.092152
where:
bonds (distance) C4'-P energy: -103.565
bonds (distance) P-C4' energy: -107.212
flat angles C4'-P-C4' energy: -100.057
flat angles P-C4'-P energy: -54.155
tors. eta vs tors. theta energy: -51.102
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: 6, replica: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -825.525105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.525105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.525105 (E_RNA)
where:
Base-Base interactions energy: -438.370
where: short stacking energy: -253.935
Base-Backbone interact. energy: 3.735
local terms energy: -390.890698
where:
bonds (distance) C4'-P energy: -85.306
bonds (distance) P-C4' energy: -116.153
flat angles C4'-P-C4' energy: -84.700
flat angles P-C4'-P energy: -68.070
tors. eta vs tors. theta energy: -36.661
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: 8
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -778.652043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.652043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.652043 (E_RNA)
where:
Base-Base interactions energy: -386.168
where: short stacking energy: -222.984
Base-Backbone interact. energy: -2.179
local terms energy: -390.304237
where:
bonds (distance) C4'-P energy: -94.507
bonds (distance) P-C4' energy: -115.962
flat angles C4'-P-C4' energy: -91.034
flat angles P-C4'-P energy: -61.397
tors. eta vs tors. theta energy: -27.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -619.450079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.450079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.450079 (E_RNA)
where:
Base-Base interactions energy: -277.791
where: short stacking energy: -174.234
Base-Backbone interact. energy: -0.063
local terms energy: -341.595247
where:
bonds (distance) C4'-P energy: -96.584
bonds (distance) P-C4' energy: -94.854
flat angles C4'-P-C4' energy: -96.775
flat angles P-C4'-P energy: -59.363
tors. eta vs tors. theta energy: 5.981
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: 9, replica: 7
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -616.074067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.074067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.074067 (E_RNA)
where:
Base-Base interactions energy: -307.609
where: short stacking energy: -169.780
Base-Backbone interact. energy: 2.042
local terms energy: -310.506998
where:
bonds (distance) C4'-P energy: -79.746
bonds (distance) P-C4' energy: -94.822
flat angles C4'-P-C4' energy: -93.942
flat angles P-C4'-P energy: -39.037
tors. eta vs tors. theta energy: -2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -498.093128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.093128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.093128 (E_RNA)
where:
Base-Base interactions energy: -195.828
where: short stacking energy: -134.747
Base-Backbone interact. energy: -1.842
local terms energy: -300.423569
where:
bonds (distance) C4'-P energy: -89.541
bonds (distance) P-C4' energy: -81.739
flat angles C4'-P-C4' energy: -92.374
flat angles P-C4'-P energy: -56.821
tors. eta vs tors. theta energy: 20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1473.724024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.724024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.724024 (E_RNA)
where:
Base-Base interactions energy: -901.029
where: short stacking energy: -499.740
Base-Backbone interact. energy: -0.651
local terms energy: -572.044124
where:
bonds (distance) C4'-P energy: -111.445
bonds (distance) P-C4' energy: -128.078
flat angles C4'-P-C4' energy: -127.154
flat angles P-C4'-P energy: -81.790
tors. eta vs tors. theta energy: -123.576
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: 2, replica: 1
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1270.442163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.442163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.442163 (E_RNA)
where:
Base-Base interactions energy: -758.899
where: short stacking energy: -418.341
Base-Backbone interact. energy: -2.301
local terms energy: -509.242810
where:
bonds (distance) C4'-P energy: -110.071
bonds (distance) P-C4' energy: -118.126
flat angles C4'-P-C4' energy: -124.084
flat angles P-C4'-P energy: -65.525
tors. eta vs tors. theta energy: -91.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1210.226297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.226297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.226297 (E_RNA)
where:
Base-Base interactions energy: -703.200
where: short stacking energy: -384.070
Base-Backbone interact. energy: -2.296
local terms energy: -504.730448
where:
bonds (distance) C4'-P energy: -107.844
bonds (distance) P-C4' energy: -123.089
flat angles C4'-P-C4' energy: -114.740
flat angles P-C4'-P energy: -65.860
tors. eta vs tors. theta energy: -93.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1065.449800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.449800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.449800 (E_RNA)
where:
Base-Base interactions energy: -603.472
where: short stacking energy: -318.953
Base-Backbone interact. energy: 0.849
local terms energy: -462.827245
where:
bonds (distance) C4'-P energy: -108.594
bonds (distance) P-C4' energy: -105.147
flat angles C4'-P-C4' energy: -117.423
flat angles P-C4'-P energy: -65.402
tors. eta vs tors. theta energy: -66.262
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: 4
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -992.010105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.010105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.010105 (E_RNA)
where:
Base-Base interactions energy: -543.909
where: short stacking energy: -330.757
Base-Backbone interact. energy: -0.562
local terms energy: -447.538357
where:
bonds (distance) C4'-P energy: -102.583
bonds (distance) P-C4' energy: -99.363
flat angles C4'-P-C4' energy: -99.594
flat angles P-C4'-P energy: -73.274
tors. eta vs tors. theta energy: -72.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -926.905770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.905770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.905770 (E_RNA)
where:
Base-Base interactions energy: -504.932
where: short stacking energy: -297.734
Base-Backbone interact. energy: 2.376
local terms energy: -424.349891
where:
bonds (distance) C4'-P energy: -91.472
bonds (distance) P-C4' energy: -108.006
flat angles C4'-P-C4' energy: -107.763
flat angles P-C4'-P energy: -65.916
tors. eta vs tors. theta energy: -51.192
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: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -813.810618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.810618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.810618 (E_RNA)
where:
Base-Base interactions energy: -431.968
where: short stacking energy: -231.748
Base-Backbone interact. energy: 2.487
local terms energy: -384.329712
where:
bonds (distance) C4'-P energy: -110.008
bonds (distance) P-C4' energy: -115.566
flat angles C4'-P-C4' energy: -92.707
flat angles P-C4'-P energy: -45.290
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -718.633477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.633477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.633477 (E_RNA)
where:
Base-Base interactions energy: -359.857
where: short stacking energy: -207.844
Base-Backbone interact. energy: -1.840
local terms energy: -356.935972
where:
bonds (distance) C4'-P energy: -98.283
bonds (distance) P-C4' energy: -103.882
flat angles C4'-P-C4' energy: -93.208
flat angles P-C4'-P energy: -57.036
tors. eta vs tors. theta energy: -4.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -525.745063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.745063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.745063 (E_RNA)
where:
Base-Base interactions energy: -202.432
where: short stacking energy: -141.490
Base-Backbone interact. energy: 1.450
local terms energy: -324.762788
where:
bonds (distance) C4'-P energy: -95.743
bonds (distance) P-C4' energy: -120.595
flat angles C4'-P-C4' energy: -78.365
flat angles P-C4'-P energy: -46.256
tors. eta vs tors. theta energy: 16.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -626.232378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.232378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.232378 (E_RNA)
where:
Base-Base interactions energy: -344.446
where: short stacking energy: -176.597
Base-Backbone interact. energy: 2.429
local terms energy: -284.215209
where:
bonds (distance) C4'-P energy: -87.956
bonds (distance) P-C4' energy: -92.191
flat angles C4'-P-C4' energy: -64.041
flat angles P-C4'-P energy: -42.208
tors. eta vs tors. theta energy: 2.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1439.588883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.588883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.588883 (E_RNA)
where:
Base-Base interactions energy: -896.962
where: short stacking energy: -459.085
Base-Backbone interact. energy: -1.204
local terms energy: -541.422377
where:
bonds (distance) C4'-P energy: -119.883
bonds (distance) P-C4' energy: -115.267
flat angles C4'-P-C4' energy: -121.432
flat angles P-C4'-P energy: -79.849
tors. eta vs tors. theta energy: -104.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1301.814552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.814552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.814552 (E_RNA)
where:
Base-Base interactions energy: -744.750
where: short stacking energy: -453.356
Base-Backbone interact. energy: -1.837
local terms energy: -555.227516
where:
bonds (distance) C4'-P energy: -105.959
bonds (distance) P-C4' energy: -125.617
flat angles C4'-P-C4' energy: -124.684
flat angles P-C4'-P energy: -79.590
tors. eta vs tors. theta energy: -119.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1239.217935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.217935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.217935 (E_RNA)
where:
Base-Base interactions energy: -751.717
where: short stacking energy: -396.825
Base-Backbone interact. energy: 0.182
local terms energy: -487.682637
where:
bonds (distance) C4'-P energy: -110.420
bonds (distance) P-C4' energy: -109.393
flat angles C4'-P-C4' energy: -100.694
flat angles P-C4'-P energy: -73.277
tors. eta vs tors. theta energy: -93.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1151.082720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.082720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.082720 (E_RNA)
where:
Base-Base interactions energy: -671.962
where: short stacking energy: -321.289
Base-Backbone interact. energy: 0.590
local terms energy: -479.710728
where:
bonds (distance) C4'-P energy: -111.090
bonds (distance) P-C4' energy: -118.625
flat angles C4'-P-C4' energy: -115.049
flat angles P-C4'-P energy: -62.160
tors. eta vs tors. theta energy: -72.787
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: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -975.086909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.086909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.086909 (E_RNA)
where:
Base-Base interactions energy: -523.791
where: short stacking energy: -317.095
Base-Backbone interact. energy: -1.757
local terms energy: -449.538558
where:
bonds (distance) C4'-P energy: -91.351
bonds (distance) P-C4' energy: -112.655
flat angles C4'-P-C4' energy: -109.517
flat angles P-C4'-P energy: -68.776
tors. eta vs tors. theta energy: -67.240
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: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -906.471478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.471478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.471478 (E_RNA)
where:
Base-Base interactions energy: -504.334
where: short stacking energy: -296.161
Base-Backbone interact. energy: -0.346
local terms energy: -401.791728
where:
bonds (distance) C4'-P energy: -112.968
bonds (distance) P-C4' energy: -99.634
flat angles C4'-P-C4' energy: -89.642
flat angles P-C4'-P energy: -49.460
tors. eta vs tors. theta energy: -50.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -794.608644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.608644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.608644 (E_RNA)
where:
Base-Base interactions energy: -422.711
where: short stacking energy: -234.086
Base-Backbone interact. energy: -0.097
local terms energy: -371.801023
where:
bonds (distance) C4'-P energy: -76.651
bonds (distance) P-C4' energy: -101.077
flat angles C4'-P-C4' energy: -111.294
flat angles P-C4'-P energy: -65.703
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -785.442850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.442850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.442850 (E_RNA)
where:
Base-Base interactions energy: -420.895
where: short stacking energy: -223.786
Base-Backbone interact. energy: -1.320
local terms energy: -363.228125
where:
bonds (distance) C4'-P energy: -95.042
bonds (distance) P-C4' energy: -109.825
flat angles C4'-P-C4' energy: -82.405
flat angles P-C4'-P energy: -54.255
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -524.141677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.141677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.141677 (E_RNA)
where:
Base-Base interactions energy: -224.183
where: short stacking energy: -157.919
Base-Backbone interact. energy: -5.355
local terms energy: -294.603551
where:
bonds (distance) C4'-P energy: -88.112
bonds (distance) P-C4' energy: -86.975
flat angles C4'-P-C4' energy: -71.695
flat angles P-C4'-P energy: -56.978
tors. eta vs tors. theta energy: 9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -592.557674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.557674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.557674 (E_RNA)
where:
Base-Base interactions energy: -315.308
where: short stacking energy: -178.398
Base-Backbone interact. energy: 2.943
local terms energy: -280.192619
where:
bonds (distance) C4'-P energy: -68.678
bonds (distance) P-C4' energy: -101.696
flat angles C4'-P-C4' energy: -87.956
flat angles P-C4'-P energy: -24.529
tors. eta vs tors. theta energy: 2.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1461.556812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.556812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.556812 (E_RNA)
where:
Base-Base interactions energy: -884.728
where: short stacking energy: -467.888
Base-Backbone interact. energy: -5.297
local terms energy: -571.531816
where:
bonds (distance) C4'-P energy: -130.679
bonds (distance) P-C4' energy: -116.907
flat angles C4'-P-C4' energy: -119.565
flat angles P-C4'-P energy: -78.729
tors. eta vs tors. theta energy: -125.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -1242.036821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.036821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.036821 (E_RNA)
where:
Base-Base interactions energy: -725.115
where: short stacking energy: -396.900
Base-Backbone interact. energy: -2.307
local terms energy: -514.615573
where:
bonds (distance) C4'-P energy: -98.046
bonds (distance) P-C4' energy: -120.642
flat angles C4'-P-C4' energy: -113.728
flat angles P-C4'-P energy: -82.751
tors. eta vs tors. theta energy: -99.448
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: 14
Temperature: 1.000000
Total energy: -1339.299244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.299244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.299244 (E_RNA)
where:
Base-Base interactions energy: -835.070
where: short stacking energy: -419.780
Base-Backbone interact. energy: 2.226
local terms energy: -506.454819
where:
bonds (distance) C4'-P energy: -94.113
bonds (distance) P-C4' energy: -117.286
flat angles C4'-P-C4' energy: -104.578
flat angles P-C4'-P energy: -87.247
tors. eta vs tors. theta energy: -103.231
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: 2
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1132.526511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.526511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.526511 (E_RNA)
where:
Base-Base interactions energy: -693.393
where: short stacking energy: -334.203
Base-Backbone interact. energy: 0.374
local terms energy: -439.507706
where:
bonds (distance) C4'-P energy: -103.406
bonds (distance) P-C4' energy: -118.725
flat angles C4'-P-C4' energy: -102.376
flat angles P-C4'-P energy: -55.224
tors. eta vs tors. theta energy: -59.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1008.194577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.194577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.194577 (E_RNA)
where:
Base-Base interactions energy: -571.735
where: short stacking energy: -318.631
Base-Backbone interact. energy: -0.380
local terms energy: -436.079470
where:
bonds (distance) C4'-P energy: -90.864
bonds (distance) P-C4' energy: -114.736
flat angles C4'-P-C4' energy: -111.531
flat angles P-C4'-P energy: -64.987
tors. eta vs tors. theta energy: -53.961
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: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -939.804929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.804929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.804929 (E_RNA)
where:
Base-Base interactions energy: -509.438
where: short stacking energy: -253.559
Base-Backbone interact. energy: -0.189
local terms energy: -430.177686
where:
bonds (distance) C4'-P energy: -97.117
bonds (distance) P-C4' energy: -103.791
flat angles C4'-P-C4' energy: -112.270
flat angles P-C4'-P energy: -64.971
tors. eta vs tors. theta energy: -52.029
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: 14
Temperature: 1.200000
Total energy: -825.522871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.522871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.522871 (E_RNA)
where:
Base-Base interactions energy: -433.451
where: short stacking energy: -265.611
Base-Backbone interact. energy: -1.132
local terms energy: -390.940283
where:
bonds (distance) C4'-P energy: -96.081
bonds (distance) P-C4' energy: -100.655
flat angles C4'-P-C4' energy: -99.564
flat angles P-C4'-P energy: -62.152
tors. eta vs tors. theta energy: -32.488
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: 8
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -759.460142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.460142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.460142 (E_RNA)
where:
Base-Base interactions energy: -421.717
where: short stacking energy: -228.943
Base-Backbone interact. energy: 2.030
local terms energy: -339.773162
where:
bonds (distance) C4'-P energy: -91.259
bonds (distance) P-C4' energy: -91.320
flat angles C4'-P-C4' energy: -85.448
flat angles P-C4'-P energy: -52.702
tors. eta vs tors. theta energy: -19.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -577.150790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.150790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.150790 (E_RNA)
where:
Base-Base interactions energy: -217.191
where: short stacking energy: -154.197
Base-Backbone interact. energy: 0.101
local terms energy: -360.061059
where:
bonds (distance) C4'-P energy: -98.262
bonds (distance) P-C4' energy: -104.438
flat angles C4'-P-C4' energy: -81.992
flat angles P-C4'-P energy: -63.107
tors. eta vs tors. theta energy: -12.262
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: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -535.678181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.678181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.678181 (E_RNA)
where:
Base-Base interactions energy: -251.317
where: short stacking energy: -159.182
Base-Backbone interact. energy: -0.861
local terms energy: -283.499569
where:
bonds (distance) C4'-P energy: -102.462
bonds (distance) P-C4' energy: -68.753
flat angles C4'-P-C4' energy: -56.147
flat angles P-C4'-P energy: -55.813
tors. eta vs tors. theta energy: -0.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1467.965826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.965826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.965826 (E_RNA)
where:
Base-Base interactions energy: -892.085
where: short stacking energy: -514.104
Base-Backbone interact. energy: -1.776
local terms energy: -574.104888
where:
bonds (distance) C4'-P energy: -103.286
bonds (distance) P-C4' energy: -121.429
flat angles C4'-P-C4' energy: -125.516
flat angles P-C4'-P energy: -85.118
tors. eta vs tors. theta energy: -138.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1347.461852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.461852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.461852 (E_RNA)
where:
Base-Base interactions energy: -818.469
where: short stacking energy: -410.947
Base-Backbone interact. energy: -2.616
local terms energy: -526.376618
where:
bonds (distance) C4'-P energy: -106.851
bonds (distance) P-C4' energy: -122.797
flat angles C4'-P-C4' energy: -127.355
flat angles P-C4'-P energy: -80.420
tors. eta vs tors. theta energy: -88.954
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: 15
Temperature: 1.000000
Total energy: -1170.608787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.608787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.608787 (E_RNA)
where:
Base-Base interactions energy: -681.442
where: short stacking energy: -399.287
Base-Backbone interact. energy: -2.257
local terms energy: -486.909280
where:
bonds (distance) C4'-P energy: -99.325
bonds (distance) P-C4' energy: -117.235
flat angles C4'-P-C4' energy: -103.163
flat angles P-C4'-P energy: -74.206
tors. eta vs tors. theta energy: -92.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1197.444701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.444701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.444701 (E_RNA)
where:
Base-Base interactions energy: -708.396
where: short stacking energy: -383.644
Base-Backbone interact. energy: -1.316
local terms energy: -487.733032
where:
bonds (distance) C4'-P energy: -103.773
bonds (distance) P-C4' energy: -116.711
flat angles C4'-P-C4' energy: -111.944
flat angles P-C4'-P energy: -61.852
tors. eta vs tors. theta energy: -93.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1006.087776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.087776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.087776 (E_RNA)
where:
Base-Base interactions energy: -567.602
where: short stacking energy: -310.925
Base-Backbone interact. energy: 1.525
local terms energy: -440.010605
where:
bonds (distance) C4'-P energy: -101.047
bonds (distance) P-C4' energy: -99.148
flat angles C4'-P-C4' energy: -107.832
flat angles P-C4'-P energy: -74.102
tors. eta vs tors. theta energy: -57.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -977.722561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.722561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.722561 (E_RNA)
where:
Base-Base interactions energy: -556.272
where: short stacking energy: -284.894
Base-Backbone interact. energy: -0.554
local terms energy: -420.896856
where:
bonds (distance) C4'-P energy: -110.587
bonds (distance) P-C4' energy: -102.981
flat angles C4'-P-C4' energy: -92.271
flat angles P-C4'-P energy: -63.878
tors. eta vs tors. theta energy: -51.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -867.938275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.938275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.938275 (E_RNA)
where:
Base-Base interactions energy: -469.417
where: short stacking energy: -256.270
Base-Backbone interact. energy: -3.412
local terms energy: -395.109189
where:
bonds (distance) C4'-P energy: -86.550
bonds (distance) P-C4' energy: -96.961
flat angles C4'-P-C4' energy: -97.610
flat angles P-C4'-P energy: -75.829
tors. eta vs tors. theta energy: -38.158
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: 8
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -690.331298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.331298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.331298 (E_RNA)
where:
Base-Base interactions energy: -339.800
where: short stacking energy: -227.016
Base-Backbone interact. energy: 5.450
local terms energy: -355.981279
where:
bonds (distance) C4'-P energy: -88.267
bonds (distance) P-C4' energy: -94.421
flat angles C4'-P-C4' energy: -75.683
flat angles P-C4'-P energy: -59.135
tors. eta vs tors. theta energy: -38.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -543.699722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.699722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.699722 (E_RNA)
where:
Base-Base interactions energy: -205.384
where: short stacking energy: -143.098
Base-Backbone interact. energy: -0.599
local terms energy: -337.716531
where:
bonds (distance) C4'-P energy: -104.946
bonds (distance) P-C4' energy: -106.809
flat angles C4'-P-C4' energy: -75.319
flat angles P-C4'-P energy: -66.409
tors. eta vs tors. theta energy: 15.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -524.574409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.574409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.574409 (E_RNA)
where:
Base-Base interactions energy: -216.735
where: short stacking energy: -142.422
Base-Backbone interact. energy: 0.284
local terms energy: -308.123702
where:
bonds (distance) C4'-P energy: -105.160
bonds (distance) P-C4' energy: -94.160
flat angles C4'-P-C4' energy: -68.142
flat angles P-C4'-P energy: -65.648
tors. eta vs tors. theta energy: 24.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1506.472210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.472210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.472210 (E_RNA)
where:
Base-Base interactions energy: -907.923
where: short stacking energy: -502.206
Base-Backbone interact. energy: -2.673
local terms energy: -595.876603
where:
bonds (distance) C4'-P energy: -112.976
bonds (distance) P-C4' energy: -117.235
flat angles C4'-P-C4' energy: -132.758
flat angles P-C4'-P energy: -88.011
tors. eta vs tors. theta energy: -144.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1442.511303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.511303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.511303 (E_RNA)
where:
Base-Base interactions energy: -905.020
where: short stacking energy: -439.109
Base-Backbone interact. energy: -0.563
local terms energy: -536.927799
where:
bonds (distance) C4'-P energy: -116.897
bonds (distance) P-C4' energy: -99.601
flat angles C4'-P-C4' energy: -128.510
flat angles P-C4'-P energy: -76.135
tors. eta vs tors. theta energy: -115.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1300.279240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.279240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.279240 (E_RNA)
where:
Base-Base interactions energy: -784.259
where: short stacking energy: -409.167
Base-Backbone interact. energy: -3.376
local terms energy: -512.644425
where:
bonds (distance) C4'-P energy: -110.288
bonds (distance) P-C4' energy: -116.140
flat angles C4'-P-C4' energy: -123.392
flat angles P-C4'-P energy: -56.769
tors. eta vs tors. theta energy: -106.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1084.042948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.042948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.042948 (E_RNA)
where:
Base-Base interactions energy: -614.874
where: short stacking energy: -317.477
Base-Backbone interact. energy: -0.240
local terms energy: -468.929648
where:
bonds (distance) C4'-P energy: -107.593
bonds (distance) P-C4' energy: -111.948
flat angles C4'-P-C4' energy: -112.847
flat angles P-C4'-P energy: -78.539
tors. eta vs tors. theta energy: -58.003
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: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1107.204434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.204434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.204434 (E_RNA)
where:
Base-Base interactions energy: -643.923
where: short stacking energy: -324.361
Base-Backbone interact. energy: -1.791
local terms energy: -461.490053
where:
bonds (distance) C4'-P energy: -106.967
bonds (distance) P-C4' energy: -119.828
flat angles C4'-P-C4' energy: -98.381
flat angles P-C4'-P energy: -69.211
tors. eta vs tors. theta energy: -67.104
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: 4
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -901.213573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.213573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.213573 (E_RNA)
where:
Base-Base interactions energy: -467.730
where: short stacking energy: -250.910
Base-Backbone interact. energy: -3.615
local terms energy: -429.869549
where:
bonds (distance) C4'-P energy: -102.183
bonds (distance) P-C4' energy: -113.024
flat angles C4'-P-C4' energy: -111.465
flat angles P-C4'-P energy: -65.903
tors. eta vs tors. theta energy: -37.295
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: 9
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -858.811863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.811863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.811863 (E_RNA)
where:
Base-Base interactions energy: -482.641
where: short stacking energy: -237.475
Base-Backbone interact. energy: -2.177
local terms energy: -373.993823
where:
bonds (distance) C4'-P energy: -102.407
bonds (distance) P-C4' energy: -104.569
flat angles C4'-P-C4' energy: -86.380
flat angles P-C4'-P energy: -56.698
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: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -751.089814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.089814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.089814 (E_RNA)
where:
Base-Base interactions energy: -402.006
where: short stacking energy: -244.730
Base-Backbone interact. energy: 1.683
local terms energy: -350.767449
where:
bonds (distance) C4'-P energy: -111.112
bonds (distance) P-C4' energy: -89.174
flat angles C4'-P-C4' energy: -74.214
flat angles P-C4'-P energy: -61.638
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -562.794903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.794903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.794903 (E_RNA)
where:
Base-Base interactions energy: -264.495
where: short stacking energy: -160.032
Base-Backbone interact. energy: 6.693
local terms energy: -304.993240
where:
bonds (distance) C4'-P energy: -107.037
bonds (distance) P-C4' energy: -89.642
flat angles C4'-P-C4' energy: -87.719
flat angles P-C4'-P energy: -31.901
tors. eta vs tors. theta energy: 11.305
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: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -485.695369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.695369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.695369 (E_RNA)
where:
Base-Base interactions energy: -184.943
where: short stacking energy: -154.008
Base-Backbone interact. energy: 3.372
local terms energy: -304.124142
where:
bonds (distance) C4'-P energy: -80.027
bonds (distance) P-C4' energy: -96.935
flat angles C4'-P-C4' energy: -82.183
flat angles P-C4'-P energy: -50.622
tors. eta vs tors. theta energy: 5.643
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: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1534.305594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.305594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.305594 (E_RNA)
where:
Base-Base interactions energy: -958.381
where: short stacking energy: -464.651
Base-Backbone interact. energy: -2.360
local terms energy: -573.563940
where:
bonds (distance) C4'-P energy: -117.367
bonds (distance) P-C4' energy: -118.490
flat angles C4'-P-C4' energy: -119.078
flat angles P-C4'-P energy: -88.771
tors. eta vs tors. theta energy: -129.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1448.318522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.318522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.318522 (E_RNA)
where:
Base-Base interactions energy: -911.444
where: short stacking energy: -438.634
Base-Backbone interact. energy: 0.367
local terms energy: -537.241213
where:
bonds (distance) C4'-P energy: -103.442
bonds (distance) P-C4' energy: -132.168
flat angles C4'-P-C4' energy: -126.566
flat angles P-C4'-P energy: -77.530
tors. eta vs tors. theta energy: -97.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1321.352303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.352303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.352303 (E_RNA)
where:
Base-Base interactions energy: -836.187
where: short stacking energy: -433.058
Base-Backbone interact. energy: 2.832
local terms energy: -487.997117
where:
bonds (distance) C4'-P energy: -108.588
bonds (distance) P-C4' energy: -115.234
flat angles C4'-P-C4' energy: -105.728
flat angles P-C4'-P energy: -55.780
tors. eta vs tors. theta energy: -102.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1240.928378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.928378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.928378 (E_RNA)
where:
Base-Base interactions energy: -728.100
where: short stacking energy: -399.734
Base-Backbone interact. energy: -2.539
local terms energy: -510.289713
where:
bonds (distance) C4'-P energy: -99.237
bonds (distance) P-C4' energy: -116.464
flat angles C4'-P-C4' energy: -118.328
flat angles P-C4'-P energy: -67.787
tors. eta vs tors. theta energy: -108.473
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: 1
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1079.409564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.409564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.409564 (E_RNA)
where:
Base-Base interactions energy: -644.270
where: short stacking energy: -355.784
Base-Backbone interact. energy: -1.572
local terms energy: -433.568144
where:
bonds (distance) C4'-P energy: -101.616
bonds (distance) P-C4' energy: -114.277
flat angles C4'-P-C4' energy: -85.817
flat angles P-C4'-P energy: -58.595
tors. eta vs tors. theta energy: -73.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -950.132744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.132744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.132744 (E_RNA)
where:
Base-Base interactions energy: -553.798
where: short stacking energy: -281.361
Base-Backbone interact. energy: -0.682
local terms energy: -395.652709
where:
bonds (distance) C4'-P energy: -99.782
bonds (distance) P-C4' energy: -112.400
flat angles C4'-P-C4' energy: -94.441
flat angles P-C4'-P energy: -55.541
tors. eta vs tors. theta energy: -33.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -855.594809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.594809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.594809 (E_RNA)
where:
Base-Base interactions energy: -468.419
where: short stacking energy: -225.148
Base-Backbone interact. energy: 3.281
local terms energy: -390.456551
where:
bonds (distance) C4'-P energy: -100.729
bonds (distance) P-C4' energy: -114.747
flat angles C4'-P-C4' energy: -95.475
flat angles P-C4'-P energy: -57.499
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -763.256178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.256178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.256178 (E_RNA)
where:
Base-Base interactions energy: -391.416
where: short stacking energy: -213.908
Base-Backbone interact. energy: 1.189
local terms energy: -373.028984
where:
bonds (distance) C4'-P energy: -78.366
bonds (distance) P-C4' energy: -99.063
flat angles C4'-P-C4' energy: -91.153
flat angles P-C4'-P energy: -57.153
tors. eta vs tors. theta energy: -47.293
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: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -560.181937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.181937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.181937 (E_RNA)
where:
Base-Base interactions energy: -241.477
where: short stacking energy: -148.180
Base-Backbone interact. energy: -4.037
local terms energy: -314.668043
where:
bonds (distance) C4'-P energy: -87.147
bonds (distance) P-C4' energy: -97.388
flat angles C4'-P-C4' energy: -95.831
flat angles P-C4'-P energy: -41.642
tors. eta vs tors. theta energy: 7.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -475.520451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.520451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.520451 (E_RNA)
where:
Base-Base interactions energy: -160.781
where: short stacking energy: -140.643
Base-Backbone interact. energy: 3.473
local terms energy: -318.211895
where:
bonds (distance) C4'-P energy: -93.681
bonds (distance) P-C4' energy: -93.049
flat angles C4'-P-C4' energy: -71.203
flat angles P-C4'-P energy: -59.350
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: 6
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1583.900644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.900644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.900644 (E_RNA)
where:
Base-Base interactions energy: -1001.817
where: short stacking energy: -484.138
Base-Backbone interact. energy: -0.275
local terms energy: -581.808349
where:
bonds (distance) C4'-P energy: -119.440
bonds (distance) P-C4' energy: -121.141
flat angles C4'-P-C4' energy: -132.111
flat angles P-C4'-P energy: -84.527
tors. eta vs tors. theta energy: -124.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1454.518079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.518079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.518079 (E_RNA)
where:
Base-Base interactions energy: -919.136
where: short stacking energy: -417.206
Base-Backbone interact. energy: -2.519
local terms energy: -532.862850
where:
bonds (distance) C4'-P energy: -107.037
bonds (distance) P-C4' energy: -121.138
flat angles C4'-P-C4' energy: -127.909
flat angles P-C4'-P energy: -62.903
tors. eta vs tors. theta energy: -113.876
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: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1350.547747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.547747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.547747 (E_RNA)
where:
Base-Base interactions energy: -849.879
where: short stacking energy: -424.253
Base-Backbone interact. energy: 1.120
local terms energy: -501.789491
where:
bonds (distance) C4'-P energy: -93.486
bonds (distance) P-C4' energy: -116.916
flat angles C4'-P-C4' energy: -125.803
flat angles P-C4'-P energy: -70.927
tors. eta vs tors. theta energy: -94.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1246.596803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.596803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.596803 (E_RNA)
where:
Base-Base interactions energy: -744.950
where: short stacking energy: -370.247
Base-Backbone interact. energy: -1.909
local terms energy: -499.737572
where:
bonds (distance) C4'-P energy: -109.638
bonds (distance) P-C4' energy: -106.314
flat angles C4'-P-C4' energy: -118.802
flat angles P-C4'-P energy: -75.098
tors. eta vs tors. theta energy: -89.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1044.836228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.836228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.836228 (E_RNA)
where:
Base-Base interactions energy: -648.358
where: short stacking energy: -328.142
Base-Backbone interact. energy: 8.019
local terms energy: -404.497316
where:
bonds (distance) C4'-P energy: -83.085
bonds (distance) P-C4' energy: -89.483
flat angles C4'-P-C4' energy: -95.985
flat angles P-C4'-P energy: -62.803
tors. eta vs tors. theta energy: -73.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1029.449686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.449686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.449686 (E_RNA)
where:
Base-Base interactions energy: -613.076
where: short stacking energy: -302.197
Base-Backbone interact. energy: 1.183
local terms energy: -417.556189
where:
bonds (distance) C4'-P energy: -111.817
bonds (distance) P-C4' energy: -100.665
flat angles C4'-P-C4' energy: -100.383
flat angles P-C4'-P energy: -56.742
tors. eta vs tors. theta energy: -47.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -852.773430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.773430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.773430 (E_RNA)
where:
Base-Base interactions energy: -456.989
where: short stacking energy: -256.871
Base-Backbone interact. energy: -2.484
local terms energy: -393.300505
where:
bonds (distance) C4'-P energy: -95.490
bonds (distance) P-C4' energy: -104.518
flat angles C4'-P-C4' energy: -110.410
flat angles P-C4'-P energy: -53.616
tors. eta vs tors. theta energy: -29.267
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: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -778.386213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.386213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.386213 (E_RNA)
where:
Base-Base interactions energy: -415.806
where: short stacking energy: -214.206
Base-Backbone interact. energy: 2.945
local terms energy: -365.525301
where:
bonds (distance) C4'-P energy: -93.722
bonds (distance) P-C4' energy: -96.305
flat angles C4'-P-C4' energy: -104.646
flat angles P-C4'-P energy: -42.721
tors. eta vs tors. theta energy: -28.131
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: 7
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -593.000495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.000495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.000495 (E_RNA)
where:
Base-Base interactions energy: -275.125
where: short stacking energy: -162.966
Base-Backbone interact. energy: 1.182
local terms energy: -319.056778
where:
bonds (distance) C4'-P energy: -100.189
bonds (distance) P-C4' energy: -94.564
flat angles C4'-P-C4' energy: -92.512
flat angles P-C4'-P energy: -37.080
tors. eta vs tors. theta energy: 5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -460.700579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.700579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.700579 (E_RNA)
where:
Base-Base interactions energy: -174.664
where: short stacking energy: -125.410
Base-Backbone interact. energy: 0.090
local terms energy: -286.126831
where:
bonds (distance) C4'-P energy: -87.128
bonds (distance) P-C4' energy: -106.234
flat angles C4'-P-C4' energy: -80.946
flat angles P-C4'-P energy: -47.291
tors. eta vs tors. theta energy: 35.472
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: 1, replica: 6
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -1578.099008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.099008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.099008 (E_RNA)
where:
Base-Base interactions energy: -1002.364
where: short stacking energy: -489.556
Base-Backbone interact. energy: -0.451
local terms energy: -575.284028
where:
bonds (distance) C4'-P energy: -109.887
bonds (distance) P-C4' energy: -119.652
flat angles C4'-P-C4' energy: -125.069
flat angles P-C4'-P energy: -89.683
tors. eta vs tors. theta energy: -130.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1513.443551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.443551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.443551 (E_RNA)
where:
Base-Base interactions energy: -944.772
where: short stacking energy: -467.935
Base-Backbone interact. energy: -0.966
local terms energy: -567.705543
where:
bonds (distance) C4'-P energy: -114.230
bonds (distance) P-C4' energy: -108.636
flat angles C4'-P-C4' energy: -132.346
flat angles P-C4'-P energy: -89.860
tors. eta vs tors. theta energy: -122.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1421.942631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.942631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.942631 (E_RNA)
where:
Base-Base interactions energy: -889.819
where: short stacking energy: -432.557
Base-Backbone interact. energy: -1.290
local terms energy: -530.833898
where:
bonds (distance) C4'-P energy: -109.653
bonds (distance) P-C4' energy: -118.643
flat angles C4'-P-C4' energy: -115.396
flat angles P-C4'-P energy: -73.118
tors. eta vs tors. theta energy: -114.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1262.361520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.361520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.361520 (E_RNA)
where:
Base-Base interactions energy: -743.346
where: short stacking energy: -363.299
Base-Backbone interact. energy: -1.339
local terms energy: -517.676854
where:
bonds (distance) C4'-P energy: -112.957
bonds (distance) P-C4' energy: -117.591
flat angles C4'-P-C4' energy: -117.704
flat angles P-C4'-P energy: -78.259
tors. eta vs tors. theta energy: -91.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1084.596596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.596596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.596596 (E_RNA)
where:
Base-Base interactions energy: -631.921
where: short stacking energy: -350.507
Base-Backbone interact. energy: -1.411
local terms energy: -451.264694
where:
bonds (distance) C4'-P energy: -92.037
bonds (distance) P-C4' energy: -99.216
flat angles C4'-P-C4' energy: -100.017
flat angles P-C4'-P energy: -80.609
tors. eta vs tors. theta energy: -79.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1001.308370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.308370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.308370 (E_RNA)
where:
Base-Base interactions energy: -594.369
where: short stacking energy: -264.253
Base-Backbone interact. energy: 0.890
local terms energy: -407.829128
where:
bonds (distance) C4'-P energy: -99.687
bonds (distance) P-C4' energy: -94.189
flat angles C4'-P-C4' energy: -101.107
flat angles P-C4'-P energy: -68.371
tors. eta vs tors. theta energy: -44.475
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: 4
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -834.516963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.516963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.516963 (E_RNA)
where:
Base-Base interactions energy: -438.975
where: short stacking energy: -259.320
Base-Backbone interact. energy: -1.923
local terms energy: -393.618770
where:
bonds (distance) C4'-P energy: -83.776
bonds (distance) P-C4' energy: -115.177
flat angles C4'-P-C4' energy: -85.125
flat angles P-C4'-P energy: -71.013
tors. eta vs tors. theta energy: -38.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -808.495469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.495469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.495469 (E_RNA)
where:
Base-Base interactions energy: -439.719
where: short stacking energy: -237.577
Base-Backbone interact. energy: 2.326
local terms energy: -371.103333
where:
bonds (distance) C4'-P energy: -89.494
bonds (distance) P-C4' energy: -103.559
flat angles C4'-P-C4' energy: -95.693
flat angles P-C4'-P energy: -63.892
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -678.121215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.121215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.121215 (E_RNA)
where:
Base-Base interactions energy: -343.181
where: short stacking energy: -181.596
Base-Backbone interact. energy: 3.283
local terms energy: -338.223312
where:
bonds (distance) C4'-P energy: -84.622
bonds (distance) P-C4' energy: -107.758
flat angles C4'-P-C4' energy: -91.050
flat angles P-C4'-P energy: -55.694
tors. eta vs tors. theta energy: 0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -460.642708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.642708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.642708 (E_RNA)
where:
Base-Base interactions energy: -194.695
where: short stacking energy: -124.013
Base-Backbone interact. energy: 7.262
local terms energy: -273.210159
where:
bonds (distance) C4'-P energy: -99.362
bonds (distance) P-C4' energy: -86.603
flat angles C4'-P-C4' energy: -85.756
flat angles P-C4'-P energy: -37.121
tors. eta vs tors. theta energy: 35.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1602.977797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.977797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.977797 (E_RNA)
where:
Base-Base interactions energy: -1017.474
where: short stacking energy: -502.377
Base-Backbone interact. energy: 1.093
local terms energy: -586.596828
where:
bonds (distance) C4'-P energy: -115.907
bonds (distance) P-C4' energy: -124.799
flat angles C4'-P-C4' energy: -123.288
flat angles P-C4'-P energy: -87.720
tors. eta vs tors. theta energy: -134.883
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: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1483.552804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.552804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.552804 (E_RNA)
where:
Base-Base interactions energy: -949.730
where: short stacking energy: -441.644
Base-Backbone interact. energy: -1.988
local terms energy: -531.834210
where:
bonds (distance) C4'-P energy: -100.169
bonds (distance) P-C4' energy: -112.219
flat angles C4'-P-C4' energy: -122.031
flat angles P-C4'-P energy: -83.921
tors. eta vs tors. theta energy: -113.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1364.232928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.232928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.232928 (E_RNA)
where:
Base-Base interactions energy: -849.061
where: short stacking energy: -438.798
Base-Backbone interact. energy: -3.636
local terms energy: -511.535666
where:
bonds (distance) C4'-P energy: -112.281
bonds (distance) P-C4' energy: -100.746
flat angles C4'-P-C4' energy: -120.706
flat angles P-C4'-P energy: -75.175
tors. eta vs tors. theta energy: -102.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1255.797249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.797249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.797249 (E_RNA)
where:
Base-Base interactions energy: -749.946
where: short stacking energy: -356.974
Base-Backbone interact. energy: -3.459
local terms energy: -502.392470
where:
bonds (distance) C4'-P energy: -100.940
bonds (distance) P-C4' energy: -109.961
flat angles C4'-P-C4' energy: -120.875
flat angles P-C4'-P energy: -80.468
tors. eta vs tors. theta energy: -90.149
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: 1
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1078.649154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.649154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.649154 (E_RNA)
where:
Base-Base interactions energy: -621.962
where: short stacking energy: -314.811
Base-Backbone interact. energy: 0.606
local terms energy: -457.292903
where:
bonds (distance) C4'-P energy: -100.242
bonds (distance) P-C4' energy: -108.092
flat angles C4'-P-C4' energy: -117.298
flat angles P-C4'-P energy: -76.639
tors. eta vs tors. theta energy: -55.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1050.463112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.463112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.463112 (E_RNA)
where:
Base-Base interactions energy: -590.301
where: short stacking energy: -304.122
Base-Backbone interact. energy: 1.010
local terms energy: -461.172581
where:
bonds (distance) C4'-P energy: -111.551
bonds (distance) P-C4' energy: -106.785
flat angles C4'-P-C4' energy: -111.821
flat angles P-C4'-P energy: -60.409
tors. eta vs tors. theta energy: -70.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -872.502984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.502984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.502984 (E_RNA)
where:
Base-Base interactions energy: -468.029
where: short stacking energy: -249.644
Base-Backbone interact. energy: -1.956
local terms energy: -402.518700
where:
bonds (distance) C4'-P energy: -98.905
bonds (distance) P-C4' energy: -111.471
flat angles C4'-P-C4' energy: -95.038
flat angles P-C4'-P energy: -56.581
tors. eta vs tors. theta energy: -40.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -781.412523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.412523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.412523 (E_RNA)
where:
Base-Base interactions energy: -405.942
where: short stacking energy: -208.272
Base-Backbone interact. energy: 0.977
local terms energy: -376.446637
where:
bonds (distance) C4'-P energy: -100.376
bonds (distance) P-C4' energy: -115.004
flat angles C4'-P-C4' energy: -91.311
flat angles P-C4'-P energy: -51.338
tors. eta vs tors. theta energy: -18.419
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: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -710.787314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.787314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.787314 (E_RNA)
where:
Base-Base interactions energy: -359.579
where: short stacking energy: -198.605
Base-Backbone interact. energy: 3.160
local terms energy: -354.368612
where:
bonds (distance) C4'-P energy: -95.636
bonds (distance) P-C4' energy: -109.710
flat angles C4'-P-C4' energy: -85.747
flat angles P-C4'-P energy: -48.278
tors. eta vs tors. theta energy: -14.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -538.450259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.450259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.450259 (E_RNA)
where:
Base-Base interactions energy: -223.785
where: short stacking energy: -132.036
Base-Backbone interact. energy: 0.396
local terms energy: -315.061097
where:
bonds (distance) C4'-P energy: -91.339
bonds (distance) P-C4' energy: -98.745
flat angles C4'-P-C4' energy: -76.409
flat angles P-C4'-P energy: -54.693
tors. eta vs tors. theta energy: 6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1562.898881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.898881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.898881 (E_RNA)
where:
Base-Base interactions energy: -1000.312
where: short stacking energy: -484.480
Base-Backbone interact. energy: -0.957
local terms energy: -561.629640
where:
bonds (distance) C4'-P energy: -110.960
bonds (distance) P-C4' energy: -117.636
flat angles C4'-P-C4' energy: -131.610
flat angles P-C4'-P energy: -79.088
tors. eta vs tors. theta energy: -122.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1550.287107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.287107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.287107 (E_RNA)
where:
Base-Base interactions energy: -995.604
where: short stacking energy: -444.688
Base-Backbone interact. energy: -2.019
local terms energy: -552.663783
where:
bonds (distance) C4'-P energy: -104.024
bonds (distance) P-C4' energy: -126.172
flat angles C4'-P-C4' energy: -127.143
flat angles P-C4'-P energy: -74.607
tors. eta vs tors. theta energy: -120.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1393.623528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.623528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.623528 (E_RNA)
where:
Base-Base interactions energy: -887.462
where: short stacking energy: -436.210
Base-Backbone interact. energy: -3.743
local terms energy: -502.418733
where:
bonds (distance) C4'-P energy: -112.855
bonds (distance) P-C4' energy: -96.132
flat angles C4'-P-C4' energy: -120.602
flat angles P-C4'-P energy: -79.167
tors. eta vs tors. theta energy: -93.664
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: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -1261.676862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.676862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.676862 (E_RNA)
where:
Base-Base interactions energy: -780.765
where: short stacking energy: -382.177
Base-Backbone interact. energy: -1.801
local terms energy: -479.111470
where:
bonds (distance) C4'-P energy: -86.167
bonds (distance) P-C4' energy: -109.507
flat angles C4'-P-C4' energy: -103.971
flat angles P-C4'-P energy: -75.192
tors. eta vs tors. theta energy: -104.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1090.687580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.687580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.687580 (E_RNA)
where:
Base-Base interactions energy: -651.203
where: short stacking energy: -307.307
Base-Backbone interact. energy: -2.697
local terms energy: -436.787612
where:
bonds (distance) C4'-P energy: -94.459
bonds (distance) P-C4' energy: -109.122
flat angles C4'-P-C4' energy: -97.926
flat angles P-C4'-P energy: -67.114
tors. eta vs tors. theta energy: -68.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1081.541737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.541737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.541737 (E_RNA)
where:
Base-Base interactions energy: -638.611
where: short stacking energy: -299.109
Base-Backbone interact. energy: -1.851
local terms energy: -441.080156
where:
bonds (distance) C4'-P energy: -110.177
bonds (distance) P-C4' energy: -96.739
flat angles C4'-P-C4' energy: -111.473
flat angles P-C4'-P energy: -66.241
tors. eta vs tors. theta energy: -56.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -960.761652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.761652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.761652 (E_RNA)
where:
Base-Base interactions energy: -560.775
where: short stacking energy: -292.530
Base-Backbone interact. energy: -0.334
local terms energy: -399.652391
where:
bonds (distance) C4'-P energy: -82.660
bonds (distance) P-C4' energy: -95.719
flat angles C4'-P-C4' energy: -82.298
flat angles P-C4'-P energy: -75.397
tors. eta vs tors. theta energy: -63.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -779.381150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.381150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.381150 (E_RNA)
where:
Base-Base interactions energy: -405.143
where: short stacking energy: -232.975
Base-Backbone interact. energy: 6.121
local terms energy: -380.358678
where:
bonds (distance) C4'-P energy: -104.241
bonds (distance) P-C4' energy: -98.632
flat angles C4'-P-C4' energy: -92.703
flat angles P-C4'-P energy: -59.104
tors. eta vs tors. theta energy: -25.680
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: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -643.196985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.196985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.196985 (E_RNA)
where:
Base-Base interactions energy: -308.005
where: short stacking energy: -173.061
Base-Backbone interact. energy: -0.287
local terms energy: -334.904590
where:
bonds (distance) C4'-P energy: -93.033
bonds (distance) P-C4' energy: -92.250
flat angles C4'-P-C4' energy: -95.089
flat angles P-C4'-P energy: -60.566
tors. eta vs tors. theta energy: 6.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -542.960001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.960001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.960001 (E_RNA)
where:
Base-Base interactions energy: -258.205
where: short stacking energy: -142.030
Base-Backbone interact. energy: 0.576
local terms energy: -285.331431
where:
bonds (distance) C4'-P energy: -101.848
bonds (distance) P-C4' energy: -100.037
flat angles C4'-P-C4' energy: -84.902
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: 22.955
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: 6
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1586.191800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.191800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.191800 (E_RNA)
where:
Base-Base interactions energy: -997.599
where: short stacking energy: -476.915
Base-Backbone interact. energy: -1.326
local terms energy: -587.266153
where:
bonds (distance) C4'-P energy: -133.451
bonds (distance) P-C4' energy: -101.401
flat angles C4'-P-C4' energy: -127.449
flat angles P-C4'-P energy: -94.236
tors. eta vs tors. theta energy: -130.729
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: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1523.373923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.373923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.373923 (E_RNA)
where:
Base-Base interactions energy: -992.817
where: short stacking energy: -469.118
Base-Backbone interact. energy: -2.188
local terms energy: -528.368712
where:
bonds (distance) C4'-P energy: -105.448
bonds (distance) P-C4' energy: -111.631
flat angles C4'-P-C4' energy: -121.834
flat angles P-C4'-P energy: -73.907
tors. eta vs tors. theta energy: -115.549
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: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1362.543353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.543353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.543353 (E_RNA)
where:
Base-Base interactions energy: -853.422
where: short stacking energy: -427.736
Base-Backbone interact. energy: -1.394
local terms energy: -507.728049
where:
bonds (distance) C4'-P energy: -115.481
bonds (distance) P-C4' energy: -99.855
flat angles C4'-P-C4' energy: -114.932
flat angles P-C4'-P energy: -61.820
tors. eta vs tors. theta energy: -115.640
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: 5
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1269.208418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.208418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.208418 (E_RNA)
where:
Base-Base interactions energy: -770.311
where: short stacking energy: -397.358
Base-Backbone interact. energy: -0.029
local terms energy: -498.867932
where:
bonds (distance) C4'-P energy: -99.252
bonds (distance) P-C4' energy: -104.915
flat angles C4'-P-C4' energy: -112.527
flat angles P-C4'-P energy: -81.375
tors. eta vs tors. theta energy: -100.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1156.486697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.486697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.486697 (E_RNA)
where:
Base-Base interactions energy: -719.368
where: short stacking energy: -341.900
Base-Backbone interact. energy: -1.163
local terms energy: -435.955551
where:
bonds (distance) C4'-P energy: -110.325
bonds (distance) P-C4' energy: -105.823
flat angles C4'-P-C4' energy: -104.443
flat angles P-C4'-P energy: -49.513
tors. eta vs tors. theta energy: -65.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1130.019897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.019897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.019897 (E_RNA)
where:
Base-Base interactions energy: -708.126
where: short stacking energy: -327.849
Base-Backbone interact. energy: -2.534
local terms energy: -419.359825
where:
bonds (distance) C4'-P energy: -82.470
bonds (distance) P-C4' energy: -106.863
flat angles C4'-P-C4' energy: -103.545
flat angles P-C4'-P energy: -53.689
tors. eta vs tors. theta energy: -72.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -935.407845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.407845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.407845 (E_RNA)
where:
Base-Base interactions energy: -527.645
where: short stacking energy: -275.435
Base-Backbone interact. energy: 0.132
local terms energy: -407.894919
where:
bonds (distance) C4'-P energy: -106.167
bonds (distance) P-C4' energy: -111.797
flat angles C4'-P-C4' energy: -87.822
flat angles P-C4'-P energy: -62.330
tors. eta vs tors. theta energy: -39.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -785.479355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.479355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.479355 (E_RNA)
where:
Base-Base interactions energy: -420.595
where: short stacking energy: -231.862
Base-Backbone interact. energy: -0.667
local terms energy: -364.217743
where:
bonds (distance) C4'-P energy: -98.348
bonds (distance) P-C4' energy: -100.710
flat angles C4'-P-C4' energy: -86.103
flat angles P-C4'-P energy: -53.579
tors. eta vs tors. theta energy: -25.478
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: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -664.342772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.342772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.342772 (E_RNA)
where:
Base-Base interactions energy: -313.015
where: short stacking energy: -191.105
Base-Backbone interact. energy: 1.308
local terms energy: -352.635570
where:
bonds (distance) C4'-P energy: -105.357
bonds (distance) P-C4' energy: -83.128
flat angles C4'-P-C4' energy: -87.895
flat angles P-C4'-P energy: -54.760
tors. eta vs tors. theta energy: -21.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -516.255869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.255869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.255869 (E_RNA)
where:
Base-Base interactions energy: -242.947
where: short stacking energy: -140.701
Base-Backbone interact. energy: 1.244
local terms energy: -274.553313
where:
bonds (distance) C4'-P energy: -93.704
bonds (distance) P-C4' energy: -87.475
flat angles C4'-P-C4' energy: -63.656
flat angles P-C4'-P energy: -53.883
tors. eta vs tors. theta energy: 24.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1633.431178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.431178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.431178 (E_RNA)
where:
Base-Base interactions energy: -1063.602
where: short stacking energy: -517.251
Base-Backbone interact. energy: -3.415
local terms energy: -566.414191
where:
bonds (distance) C4'-P energy: -110.145
bonds (distance) P-C4' energy: -106.901
flat angles C4'-P-C4' energy: -134.990
flat angles P-C4'-P energy: -76.118
tors. eta vs tors. theta energy: -138.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -1569.399669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.399669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.399669 (E_RNA)
where:
Base-Base interactions energy: -1029.801
where: short stacking energy: -458.917
Base-Backbone interact. energy: -1.652
local terms energy: -537.946781
where:
bonds (distance) C4'-P energy: -112.359
bonds (distance) P-C4' energy: -108.264
flat angles C4'-P-C4' energy: -112.389
flat angles P-C4'-P energy: -84.451
tors. eta vs tors. theta energy: -120.484
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: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1347.204531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.204531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.204531 (E_RNA)
where:
Base-Base interactions energy: -839.431
where: short stacking energy: -408.555
Base-Backbone interact. energy: -1.071
local terms energy: -506.703002
where:
bonds (distance) C4'-P energy: -115.241
bonds (distance) P-C4' energy: -109.469
flat angles C4'-P-C4' energy: -108.031
flat angles P-C4'-P energy: -62.071
tors. eta vs tors. theta energy: -111.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1274.248395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.248395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.248395 (E_RNA)
where:
Base-Base interactions energy: -785.587
where: short stacking energy: -361.573
Base-Backbone interact. energy: -2.596
local terms energy: -486.065107
where:
bonds (distance) C4'-P energy: -107.951
bonds (distance) P-C4' energy: -108.396
flat angles C4'-P-C4' energy: -107.887
flat angles P-C4'-P energy: -65.488
tors. eta vs tors. theta energy: -96.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1172.820894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.820894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.820894 (E_RNA)
where:
Base-Base interactions energy: -682.604
where: short stacking energy: -349.250
Base-Backbone interact. energy: 0.251
local terms energy: -490.467750
where:
bonds (distance) C4'-P energy: -109.216
bonds (distance) P-C4' energy: -95.325
flat angles C4'-P-C4' energy: -124.680
flat angles P-C4'-P energy: -72.829
tors. eta vs tors. theta energy: -88.417
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: 6, replica: 9
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1164.488088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.488088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.488088 (E_RNA)
where:
Base-Base interactions energy: -720.555
where: short stacking energy: -339.434
Base-Backbone interact. energy: 0.470
local terms energy: -444.404041
where:
bonds (distance) C4'-P energy: -106.316
bonds (distance) P-C4' energy: -108.627
flat angles C4'-P-C4' energy: -94.517
flat angles P-C4'-P energy: -63.732
tors. eta vs tors. theta energy: -71.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -872.705610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.705610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.705610 (E_RNA)
where:
Base-Base interactions energy: -485.123
where: short stacking energy: -254.109
Base-Backbone interact. energy: -0.362
local terms energy: -387.219865
where:
bonds (distance) C4'-P energy: -110.572
bonds (distance) P-C4' energy: -102.096
flat angles C4'-P-C4' energy: -86.212
flat angles P-C4'-P energy: -61.761
tors. eta vs tors. theta energy: -26.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -824.999440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.999440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.999440 (E_RNA)
where:
Base-Base interactions energy: -470.608
where: short stacking energy: -252.683
Base-Backbone interact. energy: -0.425
local terms energy: -353.967280
where:
bonds (distance) C4'-P energy: -79.588
bonds (distance) P-C4' energy: -93.140
flat angles C4'-P-C4' energy: -96.155
flat angles P-C4'-P energy: -53.021
tors. eta vs tors. theta energy: -32.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -675.848731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.848731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.848731 (E_RNA)
where:
Base-Base interactions energy: -326.488
where: short stacking energy: -182.544
Base-Backbone interact. energy: -2.794
local terms energy: -346.567387
where:
bonds (distance) C4'-P energy: -100.196
bonds (distance) P-C4' energy: -108.819
flat angles C4'-P-C4' energy: -88.140
flat angles P-C4'-P energy: -51.002
tors. eta vs tors. theta energy: 1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -463.650313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.650313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.650313 (E_RNA)
where:
Base-Base interactions energy: -184.219
where: short stacking energy: -112.288
Base-Backbone interact. energy: 1.269
local terms energy: -280.700584
where:
bonds (distance) C4'-P energy: -92.591
bonds (distance) P-C4' energy: -95.256
flat angles C4'-P-C4' energy: -77.908
flat angles P-C4'-P energy: -49.449
tors. eta vs tors. theta energy: 34.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1693.041921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.041921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.041921 (E_RNA)
where:
Base-Base interactions energy: -1086.913
where: short stacking energy: -502.036
Base-Backbone interact. energy: -2.963
local terms energy: -603.165876
where:
bonds (distance) C4'-P energy: -118.722
bonds (distance) P-C4' energy: -128.758
flat angles C4'-P-C4' energy: -132.291
flat angles P-C4'-P energy: -87.262
tors. eta vs tors. theta energy: -136.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1576.603952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.603952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.603952 (E_RNA)
where:
Base-Base interactions energy: -1025.616
where: short stacking energy: -505.021
Base-Backbone interact. energy: 1.294
local terms energy: -552.281816
where:
bonds (distance) C4'-P energy: -100.122
bonds (distance) P-C4' energy: -115.296
flat angles C4'-P-C4' energy: -116.693
flat angles P-C4'-P energy: -82.289
tors. eta vs tors. theta energy: -137.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1396.057479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.057479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.057479 (E_RNA)
where:
Base-Base interactions energy: -876.233
where: short stacking energy: -416.880
Base-Backbone interact. energy: -4.421
local terms energy: -515.403617
where:
bonds (distance) C4'-P energy: -105.845
bonds (distance) P-C4' energy: -113.967
flat angles C4'-P-C4' energy: -121.758
flat angles P-C4'-P energy: -77.429
tors. eta vs tors. theta energy: -96.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1298.076563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.076563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.076563 (E_RNA)
where:
Base-Base interactions energy: -783.513
where: short stacking energy: -379.046
Base-Backbone interact. energy: 0.274
local terms energy: -514.838270
where:
bonds (distance) C4'-P energy: -122.004
bonds (distance) P-C4' energy: -106.959
flat angles C4'-P-C4' energy: -113.147
flat angles P-C4'-P energy: -72.876
tors. eta vs tors. theta energy: -99.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1227.449393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.449393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.449393 (E_RNA)
where:
Base-Base interactions energy: -734.390
where: short stacking energy: -346.490
Base-Backbone interact. energy: 1.847
local terms energy: -494.906231
where:
bonds (distance) C4'-P energy: -105.903
bonds (distance) P-C4' energy: -118.319
flat angles C4'-P-C4' energy: -111.127
flat angles P-C4'-P energy: -59.496
tors. eta vs tors. theta energy: -100.062
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: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1186.872160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.872160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.872160 (E_RNA)
where:
Base-Base interactions energy: -734.031
where: short stacking energy: -336.773
Base-Backbone interact. energy: -2.619
local terms energy: -450.221911
where:
bonds (distance) C4'-P energy: -104.119
bonds (distance) P-C4' energy: -105.132
flat angles C4'-P-C4' energy: -87.380
flat angles P-C4'-P energy: -72.776
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: 7, replica: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -877.320759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.320759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.320759 (E_RNA)
where:
Base-Base interactions energy: -508.284
where: short stacking energy: -252.283
Base-Backbone interact. energy: 4.817
local terms energy: -373.853194
where:
bonds (distance) C4'-P energy: -105.517
bonds (distance) P-C4' energy: -94.913
flat angles C4'-P-C4' energy: -93.297
flat angles P-C4'-P energy: -49.791
tors. eta vs tors. theta energy: -30.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -792.247676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.247676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.247676 (E_RNA)
where:
Base-Base interactions energy: -422.166
where: short stacking energy: -223.134
Base-Backbone interact. energy: 1.847
local terms energy: -371.928684
where:
bonds (distance) C4'-P energy: -93.758
bonds (distance) P-C4' energy: -99.135
flat angles C4'-P-C4' energy: -106.356
flat angles P-C4'-P energy: -44.223
tors. eta vs tors. theta energy: -28.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -689.671307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.671307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.671307 (E_RNA)
where:
Base-Base interactions energy: -364.098
where: short stacking energy: -171.707
Base-Backbone interact. energy: 1.692
local terms energy: -327.265677
where:
bonds (distance) C4'-P energy: -94.121
bonds (distance) P-C4' energy: -98.487
flat angles C4'-P-C4' energy: -83.292
flat angles P-C4'-P energy: -57.379
tors. eta vs tors. theta energy: 6.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -471.042209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.042209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.042209 (E_RNA)
where:
Base-Base interactions energy: -155.229
where: short stacking energy: -138.835
Base-Backbone interact. energy: 0.090
local terms energy: -315.902508
where:
bonds (distance) C4'-P energy: -91.671
bonds (distance) P-C4' energy: -95.476
flat angles C4'-P-C4' energy: -82.175
flat angles P-C4'-P energy: -56.120
tors. eta vs tors. theta energy: 9.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1683.351809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.351809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.351809 (E_RNA)
where:
Base-Base interactions energy: -1095.421
where: short stacking energy: -488.201
Base-Backbone interact. energy: -2.645
local terms energy: -585.285636
where:
bonds (distance) C4'-P energy: -122.009
bonds (distance) P-C4' energy: -121.294
flat angles C4'-P-C4' energy: -128.356
flat angles P-C4'-P energy: -75.280
tors. eta vs tors. theta energy: -138.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1566.043432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.043432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.043432 (E_RNA)
where:
Base-Base interactions energy: -990.934
where: short stacking energy: -477.187
Base-Backbone interact. energy: -0.335
local terms energy: -574.774108
where:
bonds (distance) C4'-P energy: -110.930
bonds (distance) P-C4' energy: -119.142
flat angles C4'-P-C4' energy: -124.463
flat angles P-C4'-P energy: -83.008
tors. eta vs tors. theta energy: -137.231
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: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1391.027449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.027449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.027449 (E_RNA)
where:
Base-Base interactions energy: -888.430
where: short stacking energy: -432.395
Base-Backbone interact. energy: 0.581
local terms energy: -503.178061
where:
bonds (distance) C4'-P energy: -120.067
bonds (distance) P-C4' energy: -106.829
flat angles C4'-P-C4' energy: -104.220
flat angles P-C4'-P energy: -63.979
tors. eta vs tors. theta energy: -108.082
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: 4, replica: 5
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1384.995454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.995454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.995454 (E_RNA)
where:
Base-Base interactions energy: -842.910
where: short stacking energy: -431.870
Base-Backbone interact. energy: -1.300
local terms energy: -540.785574
where:
bonds (distance) C4'-P energy: -110.430
bonds (distance) P-C4' energy: -97.576
flat angles C4'-P-C4' energy: -134.081
flat angles P-C4'-P energy: -68.675
tors. eta vs tors. theta energy: -130.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1129.329449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.329449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.329449 (E_RNA)
where:
Base-Base interactions energy: -657.133
where: short stacking energy: -368.352
Base-Backbone interact. energy: -0.931
local terms energy: -471.265847
where:
bonds (distance) C4'-P energy: -100.315
bonds (distance) P-C4' energy: -114.950
flat angles C4'-P-C4' energy: -116.071
flat angles P-C4'-P energy: -55.479
tors. eta vs tors. theta energy: -84.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1249.647720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.647720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.647720 (E_RNA)
where:
Base-Base interactions energy: -776.722
where: short stacking energy: -355.834
Base-Backbone interact. energy: 3.075
local terms energy: -476.000106
where:
bonds (distance) C4'-P energy: -88.650
bonds (distance) P-C4' energy: -107.635
flat angles C4'-P-C4' energy: -111.924
flat angles P-C4'-P energy: -76.331
tors. eta vs tors. theta energy: -91.461
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: 25
Temperature: 1.200000
Total energy: -806.646780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.646780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.646780 (E_RNA)
where:
Base-Base interactions energy: -450.317
where: short stacking energy: -223.291
Base-Backbone interact. energy: -2.167
local terms energy: -354.163744
where:
bonds (distance) C4'-P energy: -91.245
bonds (distance) P-C4' energy: -91.642
flat angles C4'-P-C4' energy: -98.166
flat angles P-C4'-P energy: -69.808
tors. eta vs tors. theta energy: -3.303
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: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -785.811597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.811597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.811597 (E_RNA)
where:
Base-Base interactions energy: -428.784
where: short stacking energy: -212.607
Base-Backbone interact. energy: -0.550
local terms energy: -356.477629
where:
bonds (distance) C4'-P energy: -91.863
bonds (distance) P-C4' energy: -93.291
flat angles C4'-P-C4' energy: -74.233
flat angles P-C4'-P energy: -69.835
tors. eta vs tors. theta energy: -27.255
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: 25
Temperature: 1.300000
Total energy: -734.870551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.870551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.870551 (E_RNA)
where:
Base-Base interactions energy: -379.846
where: short stacking energy: -215.486
Base-Backbone interact. energy: 1.080
local terms energy: -356.104057
where:
bonds (distance) C4'-P energy: -86.159
bonds (distance) P-C4' energy: -99.179
flat angles C4'-P-C4' energy: -111.840
flat angles P-C4'-P energy: -53.625
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: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -512.961157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.961157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.961157 (E_RNA)
where:
Base-Base interactions energy: -205.206
where: short stacking energy: -148.902
Base-Backbone interact. energy: 1.350
local terms energy: -309.105140
where:
bonds (distance) C4'-P energy: -91.300
bonds (distance) P-C4' energy: -105.649
flat angles C4'-P-C4' energy: -84.940
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: 10.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1662.715376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.715376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.715376 (E_RNA)
where:
Base-Base interactions energy: -1099.758
where: short stacking energy: -503.567
Base-Backbone interact. energy: -3.457
local terms energy: -559.500419
where:
bonds (distance) C4'-P energy: -110.676
bonds (distance) P-C4' energy: -123.629
flat angles C4'-P-C4' energy: -123.003
flat angles P-C4'-P energy: -67.475
tors. eta vs tors. theta energy: -134.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1593.009445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.009445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.009445 (E_RNA)
where:
Base-Base interactions energy: -1004.979
where: short stacking energy: -500.602
Base-Backbone interact. energy: -1.178
local terms energy: -586.851727
where:
bonds (distance) C4'-P energy: -102.079
bonds (distance) P-C4' energy: -117.819
flat angles C4'-P-C4' energy: -129.144
flat angles P-C4'-P energy: -81.699
tors. eta vs tors. theta energy: -156.110
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: 5
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1413.437555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.437555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.437555 (E_RNA)
where:
Base-Base interactions energy: -857.174
where: short stacking energy: -441.323
Base-Backbone interact. energy: -3.804
local terms energy: -552.459288
where:
bonds (distance) C4'-P energy: -123.583
bonds (distance) P-C4' energy: -107.756
flat angles C4'-P-C4' energy: -107.963
flat angles P-C4'-P energy: -89.610
tors. eta vs tors. theta energy: -123.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1274.260826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.260826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.260826 (E_RNA)
where:
Base-Base interactions energy: -777.040
where: short stacking energy: -407.545
Base-Backbone interact. energy: -2.037
local terms energy: -495.184175
where:
bonds (distance) C4'-P energy: -92.741
bonds (distance) P-C4' energy: -120.458
flat angles C4'-P-C4' energy: -105.267
flat angles P-C4'-P energy: -74.127
tors. eta vs tors. theta energy: -102.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1377.100284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.100284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.100284 (E_RNA)
where:
Base-Base interactions energy: -882.606
where: short stacking energy: -404.198
Base-Backbone interact. energy: -3.203
local terms energy: -491.290741
where:
bonds (distance) C4'-P energy: -107.720
bonds (distance) P-C4' energy: -111.044
flat angles C4'-P-C4' energy: -96.629
flat angles P-C4'-P energy: -67.317
tors. eta vs tors. theta energy: -108.580
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: 1
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1093.789631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.789631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.789631 (E_RNA)
where:
Base-Base interactions energy: -659.591
where: short stacking energy: -358.899
Base-Backbone interact. energy: 0.334
local terms energy: -434.532650
where:
bonds (distance) C4'-P energy: -91.629
bonds (distance) P-C4' energy: -101.725
flat angles C4'-P-C4' energy: -102.863
flat angles P-C4'-P energy: -58.143
tors. eta vs tors. theta energy: -80.172
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: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -799.026201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.026201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.026201 (E_RNA)
where:
Base-Base interactions energy: -413.300
where: short stacking energy: -268.221
Base-Backbone interact. energy: -1.099
local terms energy: -384.627036
where:
bonds (distance) C4'-P energy: -83.269
bonds (distance) P-C4' energy: -109.480
flat angles C4'-P-C4' energy: -94.105
flat angles P-C4'-P energy: -51.626
tors. eta vs tors. theta energy: -46.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -700.276382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.276382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.276382 (E_RNA)
where:
Base-Base interactions energy: -362.740
where: short stacking energy: -192.825
Base-Backbone interact. energy: 3.097
local terms energy: -340.633333
where:
bonds (distance) C4'-P energy: -93.605
bonds (distance) P-C4' energy: -109.315
flat angles C4'-P-C4' energy: -98.610
flat angles P-C4'-P energy: -43.224
tors. eta vs tors. theta energy: 4.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -704.944370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.944370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.944370 (E_RNA)
where:
Base-Base interactions energy: -357.616
where: short stacking energy: -204.194
Base-Backbone interact. energy: 0.546
local terms energy: -347.873959
where:
bonds (distance) C4'-P energy: -95.320
bonds (distance) P-C4' energy: -105.389
flat angles C4'-P-C4' energy: -83.343
flat angles P-C4'-P energy: -41.577
tors. eta vs tors. theta energy: -22.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -465.294879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.294879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.294879 (E_RNA)
where:
Base-Base interactions energy: -167.433
where: short stacking energy: -142.596
Base-Backbone interact. energy: 4.345
local terms energy: -302.206359
where:
bonds (distance) C4'-P energy: -75.913
bonds (distance) P-C4' energy: -98.005
flat angles C4'-P-C4' energy: -84.401
flat angles P-C4'-P energy: -48.779
tors. eta vs tors. theta energy: 4.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1689.224819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.224819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.224819 (E_RNA)
where:
Base-Base interactions energy: -1121.311
where: short stacking energy: -497.568
Base-Backbone interact. energy: 0.827
local terms energy: -568.740656
where:
bonds (distance) C4'-P energy: -112.864
bonds (distance) P-C4' energy: -120.302
flat angles C4'-P-C4' energy: -109.018
flat angles P-C4'-P energy: -85.664
tors. eta vs tors. theta energy: -140.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1629.700737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.700737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.700737 (E_RNA)
where:
Base-Base interactions energy: -1029.772
where: short stacking energy: -504.926
Base-Backbone interact. energy: -3.670
local terms energy: -596.259121
where:
bonds (distance) C4'-P energy: -118.442
bonds (distance) P-C4' energy: -108.230
flat angles C4'-P-C4' energy: -128.705
flat angles P-C4'-P energy: -86.776
tors. eta vs tors. theta energy: -154.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1380.368106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.368106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.368106 (E_RNA)
where:
Base-Base interactions energy: -844.328
where: short stacking energy: -405.085
Base-Backbone interact. energy: 0.172
local terms energy: -536.211811
where:
bonds (distance) C4'-P energy: -109.803
bonds (distance) P-C4' energy: -109.861
flat angles C4'-P-C4' energy: -126.807
flat angles P-C4'-P energy: -71.445
tors. eta vs tors. theta energy: -118.296
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: 9
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1434.776856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.776856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.776856 (E_RNA)
where:
Base-Base interactions energy: -903.036
where: short stacking energy: -429.082
Base-Backbone interact. energy: -2.301
local terms energy: -529.440160
where:
bonds (distance) C4'-P energy: -114.303
bonds (distance) P-C4' energy: -95.240
flat angles C4'-P-C4' energy: -125.484
flat angles P-C4'-P energy: -78.232
tors. eta vs tors. theta energy: -116.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -1205.073147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.073147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.073147 (E_RNA)
where:
Base-Base interactions energy: -751.766
where: short stacking energy: -373.593
Base-Backbone interact. energy: 1.487
local terms energy: -454.794853
where:
bonds (distance) C4'-P energy: -88.249
bonds (distance) P-C4' energy: -111.060
flat angles C4'-P-C4' energy: -110.687
flat angles P-C4'-P energy: -62.577
tors. eta vs tors. theta energy: -82.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1064.152509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.152509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.152509 (E_RNA)
where:
Base-Base interactions energy: -612.670
where: short stacking energy: -328.885
Base-Backbone interact. energy: 1.767
local terms energy: -453.249448
where:
bonds (distance) C4'-P energy: -87.626
bonds (distance) P-C4' energy: -118.074
flat angles C4'-P-C4' energy: -98.083
flat angles P-C4'-P energy: -69.683
tors. eta vs tors. theta energy: -79.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -794.345308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.345308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.345308 (E_RNA)
where:
Base-Base interactions energy: -417.994
where: short stacking energy: -235.728
Base-Backbone interact. energy: 1.580
local terms energy: -377.931179
where:
bonds (distance) C4'-P energy: -93.506
bonds (distance) P-C4' energy: -106.199
flat angles C4'-P-C4' energy: -86.008
flat angles P-C4'-P energy: -70.697
tors. eta vs tors. theta energy: -21.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -772.871531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.871531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.871531 (E_RNA)
where:
Base-Base interactions energy: -395.598
where: short stacking energy: -222.597
Base-Backbone interact. energy: 3.906
local terms energy: -381.180045
where:
bonds (distance) C4'-P energy: -82.033
bonds (distance) P-C4' energy: -114.520
flat angles C4'-P-C4' energy: -101.095
flat angles P-C4'-P energy: -59.977
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: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -624.477523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.477523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.477523 (E_RNA)
where:
Base-Base interactions energy: -302.439
where: short stacking energy: -204.921
Base-Backbone interact. energy: 0.036
local terms energy: -322.074886
where:
bonds (distance) C4'-P energy: -80.813
bonds (distance) P-C4' energy: -104.306
flat angles C4'-P-C4' energy: -74.922
flat angles P-C4'-P energy: -59.454
tors. eta vs tors. theta energy: -2.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -451.314635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.314635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.314635 (E_RNA)
where:
Base-Base interactions energy: -163.839
where: short stacking energy: -117.552
Base-Backbone interact. energy: 6.049
local terms energy: -293.524052
where:
bonds (distance) C4'-P energy: -96.860
bonds (distance) P-C4' energy: -97.024
flat angles C4'-P-C4' energy: -80.523
flat angles P-C4'-P energy: -39.202
tors. eta vs tors. theta energy: 20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1694.763707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.763707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.763707 (E_RNA)
where:
Base-Base interactions energy: -1106.426
where: short stacking energy: -497.162
Base-Backbone interact. energy: -2.081
local terms energy: -586.256954
where:
bonds (distance) C4'-P energy: -109.945
bonds (distance) P-C4' energy: -121.632
flat angles C4'-P-C4' energy: -115.623
flat angles P-C4'-P energy: -91.836
tors. eta vs tors. theta energy: -147.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -1610.624011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.624011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.624011 (E_RNA)
where:
Base-Base interactions energy: -1049.735
where: short stacking energy: -498.995
Base-Backbone interact. energy: -1.474
local terms energy: -559.415640
where:
bonds (distance) C4'-P energy: -107.418
bonds (distance) P-C4' energy: -115.993
flat angles C4'-P-C4' energy: -125.245
flat angles P-C4'-P energy: -70.030
tors. eta vs tors. theta energy: -140.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1518.675885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.675885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.675885 (E_RNA)
where:
Base-Base interactions energy: -958.986
where: short stacking energy: -462.174
Base-Backbone interact. energy: -2.186
local terms energy: -557.504418
where:
bonds (distance) C4'-P energy: -115.174
bonds (distance) P-C4' energy: -115.977
flat angles C4'-P-C4' energy: -109.741
flat angles P-C4'-P energy: -86.699
tors. eta vs tors. theta energy: -129.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1303.744297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.744297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.744297 (E_RNA)
where:
Base-Base interactions energy: -791.731
where: short stacking energy: -411.716
Base-Backbone interact. energy: -2.687
local terms energy: -509.326303
where:
bonds (distance) C4'-P energy: -95.927
bonds (distance) P-C4' energy: -124.355
flat angles C4'-P-C4' energy: -122.066
flat angles P-C4'-P energy: -58.131
tors. eta vs tors. theta energy: -108.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1156.246694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.246694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.246694 (E_RNA)
where:
Base-Base interactions energy: -747.953
where: short stacking energy: -330.319
Base-Backbone interact. energy: -0.705
local terms energy: -407.589043
where:
bonds (distance) C4'-P energy: -99.669
bonds (distance) P-C4' energy: -99.072
flat angles C4'-P-C4' energy: -98.810
flat angles P-C4'-P energy: -49.838
tors. eta vs tors. theta energy: -60.200
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: 1
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1060.942706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.942706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.942706 (E_RNA)
where:
Base-Base interactions energy: -623.958
where: short stacking energy: -324.155
Base-Backbone interact. energy: -2.672
local terms energy: -434.312801
where:
bonds (distance) C4'-P energy: -90.454
bonds (distance) P-C4' energy: -96.675
flat angles C4'-P-C4' energy: -121.780
flat angles P-C4'-P energy: -71.909
tors. eta vs tors. theta energy: -53.495
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: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -874.470669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.470669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.470669 (E_RNA)
where:
Base-Base interactions energy: -470.006
where: short stacking energy: -269.193
Base-Backbone interact. energy: 0.467
local terms energy: -404.932101
where:
bonds (distance) C4'-P energy: -87.454
bonds (distance) P-C4' energy: -108.066
flat angles C4'-P-C4' energy: -80.321
flat angles P-C4'-P energy: -78.355
tors. eta vs tors. theta energy: -50.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -786.781742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.781742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.781742 (E_RNA)
where:
Base-Base interactions energy: -415.016
where: short stacking energy: -236.691
Base-Backbone interact. energy: 0.629
local terms energy: -372.394645
where:
bonds (distance) C4'-P energy: -107.703
bonds (distance) P-C4' energy: -94.018
flat angles C4'-P-C4' energy: -93.458
flat angles P-C4'-P energy: -51.189
tors. eta vs tors. theta energy: -26.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -612.863398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.863398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.863398 (E_RNA)
where:
Base-Base interactions energy: -294.987
where: short stacking energy: -183.327
Base-Backbone interact. energy: -1.312
local terms energy: -316.563996
where:
bonds (distance) C4'-P energy: -77.433
bonds (distance) P-C4' energy: -95.868
flat angles C4'-P-C4' energy: -70.564
flat angles P-C4'-P energy: -66.322
tors. eta vs tors. theta energy: -6.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -436.125657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.125657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.125657 (E_RNA)
where:
Base-Base interactions energy: -135.303
where: short stacking energy: -113.790
Base-Backbone interact. energy: 5.114
local terms energy: -305.936796
where:
bonds (distance) C4'-P energy: -83.267
bonds (distance) P-C4' energy: -118.001
flat angles C4'-P-C4' energy: -74.825
flat angles P-C4'-P energy: -48.003
tors. eta vs tors. theta energy: 18.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1701.923233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.923233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.923233 (E_RNA)
where:
Base-Base interactions energy: -1123.629
where: short stacking energy: -460.766
Base-Backbone interact. energy: -3.144
local terms energy: -575.149895
where:
bonds (distance) C4'-P energy: -124.518
bonds (distance) P-C4' energy: -119.567
flat angles C4'-P-C4' energy: -127.163
flat angles P-C4'-P energy: -84.803
tors. eta vs tors. theta energy: -119.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1613.398258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.398258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.398258 (E_RNA)
where:
Base-Base interactions energy: -1043.273
where: short stacking energy: -531.967
Base-Backbone interact. energy: -2.458
local terms energy: -567.667527
where:
bonds (distance) C4'-P energy: -101.447
bonds (distance) P-C4' energy: -103.885
flat angles C4'-P-C4' energy: -116.682
flat angles P-C4'-P energy: -92.712
tors. eta vs tors. theta energy: -152.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1551.574396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.574396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.574396 (E_RNA)
where:
Base-Base interactions energy: -1018.897
where: short stacking energy: -478.296
Base-Backbone interact. energy: -1.483
local terms energy: -531.193702
where:
bonds (distance) C4'-P energy: -95.112
bonds (distance) P-C4' energy: -112.098
flat angles C4'-P-C4' energy: -113.953
flat angles P-C4'-P energy: -75.403
tors. eta vs tors. theta energy: -134.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1333.005477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.005477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.005477 (E_RNA)
where:
Base-Base interactions energy: -823.515
where: short stacking energy: -393.823
Base-Backbone interact. energy: -0.040
local terms energy: -509.450812
where:
bonds (distance) C4'-P energy: -101.266
bonds (distance) P-C4' energy: -107.076
flat angles C4'-P-C4' energy: -120.967
flat angles P-C4'-P energy: -71.312
tors. eta vs tors. theta energy: -108.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1200.840327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.840327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.840327 (E_RNA)
where:
Base-Base interactions energy: -744.504
where: short stacking energy: -390.853
Base-Backbone interact. energy: -1.065
local terms energy: -455.271374
where:
bonds (distance) C4'-P energy: -105.882
bonds (distance) P-C4' energy: -103.822
flat angles C4'-P-C4' energy: -113.505
flat angles P-C4'-P energy: -54.029
tors. eta vs tors. theta energy: -78.034
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: 29
Temperature: 1.150000
Total energy: -1096.315451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.315451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.315451 (E_RNA)
where:
Base-Base interactions energy: -637.607
where: short stacking energy: -303.514
Base-Backbone interact. energy: -2.569
local terms energy: -456.138570
where:
bonds (distance) C4'-P energy: -106.820
bonds (distance) P-C4' energy: -121.805
flat angles C4'-P-C4' energy: -102.555
flat angles P-C4'-P energy: -64.637
tors. eta vs tors. theta energy: -60.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -842.181486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.181486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.181486 (E_RNA)
where:
Base-Base interactions energy: -448.916
where: short stacking energy: -247.565
Base-Backbone interact. energy: 0.002
local terms energy: -393.267082
where:
bonds (distance) C4'-P energy: -103.303
bonds (distance) P-C4' energy: -103.279
flat angles C4'-P-C4' energy: -90.078
flat angles P-C4'-P energy: -71.860
tors. eta vs tors. theta energy: -24.746
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: 7
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -756.865130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.865130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.865130 (E_RNA)
where:
Base-Base interactions energy: -400.871
where: short stacking energy: -230.499
Base-Backbone interact. energy: 0.628
local terms energy: -356.622115
where:
bonds (distance) C4'-P energy: -92.199
bonds (distance) P-C4' energy: -94.856
flat angles C4'-P-C4' energy: -80.783
flat angles P-C4'-P energy: -57.046
tors. eta vs tors. theta energy: -31.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -557.926750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.926750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.926750 (E_RNA)
where:
Base-Base interactions energy: -225.855
where: short stacking energy: -170.710
Base-Backbone interact. energy: 3.261
local terms energy: -335.333095
where:
bonds (distance) C4'-P energy: -102.007
bonds (distance) P-C4' energy: -105.057
flat angles C4'-P-C4' energy: -78.388
flat angles P-C4'-P energy: -46.152
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -459.365796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.365796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.365796 (E_RNA)
where:
Base-Base interactions energy: -181.818
where: short stacking energy: -138.390
Base-Backbone interact. energy: 11.748
local terms energy: -289.295669
where:
bonds (distance) C4'-P energy: -87.388
bonds (distance) P-C4' energy: -103.894
flat angles C4'-P-C4' energy: -70.032
flat angles P-C4'-P energy: -47.978
tors. eta vs tors. theta energy: 19.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1735.132701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.132701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.132701 (E_RNA)
where:
Base-Base interactions energy: -1154.855
where: short stacking energy: -528.833
Base-Backbone interact. energy: 0.486
local terms energy: -580.763296
where:
bonds (distance) C4'-P energy: -111.126
bonds (distance) P-C4' energy: -111.116
flat angles C4'-P-C4' energy: -121.760
flat angles P-C4'-P energy: -91.946
tors. eta vs tors. theta energy: -144.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1643.589192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.589192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.589192 (E_RNA)
where:
Base-Base interactions energy: -1062.418
where: short stacking energy: -509.369
Base-Backbone interact. energy: -3.322
local terms energy: -577.848612
where:
bonds (distance) C4'-P energy: -112.862
bonds (distance) P-C4' energy: -112.209
flat angles C4'-P-C4' energy: -119.493
flat angles P-C4'-P energy: -81.239
tors. eta vs tors. theta energy: -152.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1569.127807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.127807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.127807 (E_RNA)
where:
Base-Base interactions energy: -1013.563
where: short stacking energy: -485.726
Base-Backbone interact. energy: 0.125
local terms energy: -555.689725
where:
bonds (distance) C4'-P energy: -115.804
bonds (distance) P-C4' energy: -100.205
flat angles C4'-P-C4' energy: -122.769
flat angles P-C4'-P energy: -76.672
tors. eta vs tors. theta energy: -140.240
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: 5
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1310.371815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.371815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.371815 (E_RNA)
where:
Base-Base interactions energy: -811.154
where: short stacking energy: -385.396
Base-Backbone interact. energy: -3.707
local terms energy: -495.511118
where:
bonds (distance) C4'-P energy: -101.416
bonds (distance) P-C4' energy: -106.056
flat angles C4'-P-C4' energy: -124.532
flat angles P-C4'-P energy: -69.175
tors. eta vs tors. theta energy: -94.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1161.059054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.059054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.059054 (E_RNA)
where:
Base-Base interactions energy: -683.696
where: short stacking energy: -337.140
Base-Backbone interact. energy: -2.108
local terms energy: -475.254242
where:
bonds (distance) C4'-P energy: -94.341
bonds (distance) P-C4' energy: -114.267
flat angles C4'-P-C4' energy: -118.800
flat angles P-C4'-P energy: -72.159
tors. eta vs tors. theta energy: -75.687
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: 30
Temperature: 1.150000
Total energy: -1100.949857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.949857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.949857 (E_RNA)
where:
Base-Base interactions energy: -668.618
where: short stacking energy: -340.766
Base-Backbone interact. energy: 3.674
local terms energy: -436.006551
where:
bonds (distance) C4'-P energy: -89.794
bonds (distance) P-C4' energy: -106.618
flat angles C4'-P-C4' energy: -106.415
flat angles P-C4'-P energy: -67.648
tors. eta vs tors. theta energy: -65.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -934.715730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.715730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.715730 (E_RNA)
where:
Base-Base interactions energy: -537.638
where: short stacking energy: -284.952
Base-Backbone interact. energy: 1.633
local terms energy: -398.711287
where:
bonds (distance) C4'-P energy: -85.513
bonds (distance) P-C4' energy: -91.473
flat angles C4'-P-C4' energy: -115.164
flat angles P-C4'-P energy: -54.778
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: 8, replica: 7
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -784.771950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.771950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.771950 (E_RNA)
where:
Base-Base interactions energy: -425.756
where: short stacking energy: -229.265
Base-Backbone interact. energy: -0.255
local terms energy: -358.761477
where:
bonds (distance) C4'-P energy: -99.893
bonds (distance) P-C4' energy: -92.791
flat angles C4'-P-C4' energy: -93.082
flat angles P-C4'-P energy: -55.060
tors. eta vs tors. theta energy: -17.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -553.123368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.123368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.123368 (E_RNA)
where:
Base-Base interactions energy: -254.339
where: short stacking energy: -162.915
Base-Backbone interact. energy: -2.205
local terms energy: -296.580159
where:
bonds (distance) C4'-P energy: -92.624
bonds (distance) P-C4' energy: -88.226
flat angles C4'-P-C4' energy: -72.484
flat angles P-C4'-P energy: -47.723
tors. eta vs tors. theta energy: 4.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -450.967791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.967791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.967791 (E_RNA)
where:
Base-Base interactions energy: -164.595
where: short stacking energy: -118.088
Base-Backbone interact. energy: -0.422
local terms energy: -285.950790
where:
bonds (distance) C4'-P energy: -97.499
bonds (distance) P-C4' energy: -97.959
flat angles C4'-P-C4' energy: -77.794
flat angles P-C4'-P energy: -36.800
tors. eta vs tors. theta energy: 24.101
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: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1713.659198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.659198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.659198 (E_RNA)
where:
Base-Base interactions energy: -1129.993
where: short stacking energy: -498.803
Base-Backbone interact. energy: -2.722
local terms energy: -580.943457
where:
bonds (distance) C4'-P energy: -119.329
bonds (distance) P-C4' energy: -117.991
flat angles C4'-P-C4' energy: -126.783
flat angles P-C4'-P energy: -81.837
tors. eta vs tors. theta energy: -135.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1588.171082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.171082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.171082 (E_RNA)
where:
Base-Base interactions energy: -1015.301
where: short stacking energy: -504.799
Base-Backbone interact. energy: -5.255
local terms energy: -567.614240
where:
bonds (distance) C4'-P energy: -107.413
bonds (distance) P-C4' energy: -114.660
flat angles C4'-P-C4' energy: -128.889
flat angles P-C4'-P energy: -80.389
tors. eta vs tors. theta energy: -136.264
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: 9
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1560.790172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.790172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.790172 (E_RNA)
where:
Base-Base interactions energy: -1042.939
where: short stacking energy: -470.137
Base-Backbone interact. energy: -1.582
local terms energy: -516.268646
where:
bonds (distance) C4'-P energy: -101.003
bonds (distance) P-C4' energy: -116.454
flat angles C4'-P-C4' energy: -120.121
flat angles P-C4'-P energy: -60.235
tors. eta vs tors. theta energy: -118.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1285.468965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.468965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.468965 (E_RNA)
where:
Base-Base interactions energy: -772.547
where: short stacking energy: -351.743
Base-Backbone interact. energy: 1.408
local terms energy: -514.330565
where:
bonds (distance) C4'-P energy: -112.323
bonds (distance) P-C4' energy: -116.547
flat angles C4'-P-C4' energy: -112.771
flat angles P-C4'-P energy: -73.159
tors. eta vs tors. theta energy: -99.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1151.482544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.482544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.482544 (E_RNA)
where:
Base-Base interactions energy: -682.661
where: short stacking energy: -335.121
Base-Backbone interact. energy: -1.679
local terms energy: -467.142783
where:
bonds (distance) C4'-P energy: -108.723
bonds (distance) P-C4' energy: -112.587
flat angles C4'-P-C4' energy: -111.080
flat angles P-C4'-P energy: -67.979
tors. eta vs tors. theta energy: -66.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1069.485849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.485849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.485849 (E_RNA)
where:
Base-Base interactions energy: -630.406
where: short stacking energy: -308.877
Base-Backbone interact. energy: -2.158
local terms energy: -436.922321
where:
bonds (distance) C4'-P energy: -93.924
bonds (distance) P-C4' energy: -99.348
flat angles C4'-P-C4' energy: -105.215
flat angles P-C4'-P energy: -65.096
tors. eta vs tors. theta energy: -73.339
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: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -913.951914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.951914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.951914 (E_RNA)
where:
Base-Base interactions energy: -508.560
where: short stacking energy: -278.972
Base-Backbone interact. energy: -2.013
local terms energy: -403.378597
where:
bonds (distance) C4'-P energy: -92.900
bonds (distance) P-C4' energy: -106.165
flat angles C4'-P-C4' energy: -95.794
flat angles P-C4'-P energy: -61.290
tors. eta vs tors. theta energy: -47.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -804.482947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.482947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.482947 (E_RNA)
where:
Base-Base interactions energy: -447.355
where: short stacking energy: -228.576
Base-Backbone interact. energy: 1.286
local terms energy: -358.413659
where:
bonds (distance) C4'-P energy: -95.759
bonds (distance) P-C4' energy: -100.454
flat angles C4'-P-C4' energy: -84.050
flat angles P-C4'-P energy: -47.145
tors. eta vs tors. theta energy: -31.006
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: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -496.729210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.729210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.729210 (E_RNA)
where:
Base-Base interactions energy: -171.985
where: short stacking energy: -125.535
Base-Backbone interact. energy: -1.775
local terms energy: -322.969219
where:
bonds (distance) C4'-P energy: -91.315
bonds (distance) P-C4' energy: -105.012
flat angles C4'-P-C4' energy: -85.528
flat angles P-C4'-P energy: -46.217
tors. eta vs tors. theta energy: 5.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -444.866436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.866436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.866436 (E_RNA)
where:
Base-Base interactions energy: -166.425
where: short stacking energy: -124.877
Base-Backbone interact. energy: 0.187
local terms energy: -278.628280
where:
bonds (distance) C4'-P energy: -83.606
bonds (distance) P-C4' energy: -102.542
flat angles C4'-P-C4' energy: -71.698
flat angles P-C4'-P energy: -45.311
tors. eta vs tors. theta energy: 24.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1745.646369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.646369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.646369 (E_RNA)
where:
Base-Base interactions energy: -1148.121
where: short stacking energy: -487.313
Base-Backbone interact. energy: -6.538
local terms energy: -590.987218
where:
bonds (distance) C4'-P energy: -114.784
bonds (distance) P-C4' energy: -127.132
flat angles C4'-P-C4' energy: -119.150
flat angles P-C4'-P energy: -95.556
tors. eta vs tors. theta energy: -134.365
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: 2, replica: 6
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1615.364452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.364452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.364452 (E_RNA)
where:
Base-Base interactions energy: -1044.186
where: short stacking energy: -495.402
Base-Backbone interact. energy: -4.609
local terms energy: -566.569582
where:
bonds (distance) C4'-P energy: -125.064
bonds (distance) P-C4' energy: -107.572
flat angles C4'-P-C4' energy: -129.213
flat angles P-C4'-P energy: -73.365
tors. eta vs tors. theta energy: -131.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1540.891941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.891941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.891941 (E_RNA)
where:
Base-Base interactions energy: -1015.252
where: short stacking energy: -448.393
Base-Backbone interact. energy: -0.504
local terms energy: -525.135401
where:
bonds (distance) C4'-P energy: -104.198
bonds (distance) P-C4' energy: -122.889
flat angles C4'-P-C4' energy: -107.197
flat angles P-C4'-P energy: -71.957
tors. eta vs tors. theta energy: -118.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1282.382242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.382242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.382242 (E_RNA)
where:
Base-Base interactions energy: -766.175
where: short stacking energy: -384.841
Base-Backbone interact. energy: -5.219
local terms energy: -510.988308
where:
bonds (distance) C4'-P energy: -106.410
bonds (distance) P-C4' energy: -123.895
flat angles C4'-P-C4' energy: -105.381
flat angles P-C4'-P energy: -77.357
tors. eta vs tors. theta energy: -97.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1180.849839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.849839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.849839 (E_RNA)
where:
Base-Base interactions energy: -719.907
where: short stacking energy: -351.768
Base-Backbone interact. energy: -1.280
local terms energy: -459.662623
where:
bonds (distance) C4'-P energy: -113.372
bonds (distance) P-C4' energy: -107.005
flat angles C4'-P-C4' energy: -91.412
flat angles P-C4'-P energy: -71.604
tors. eta vs tors. theta energy: -76.270
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: 1
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1070.182258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.182258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.182258 (E_RNA)
where:
Base-Base interactions energy: -640.670
where: short stacking energy: -334.678
Base-Backbone interact. energy: 1.488
local terms energy: -431.001045
where:
bonds (distance) C4'-P energy: -85.753
bonds (distance) P-C4' energy: -110.868
flat angles C4'-P-C4' energy: -102.419
flat angles P-C4'-P energy: -59.807
tors. eta vs tors. theta energy: -72.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -926.134038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.134038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.134038 (E_RNA)
where:
Base-Base interactions energy: -516.973
where: short stacking energy: -286.957
Base-Backbone interact. energy: -0.411
local terms energy: -408.749926
where:
bonds (distance) C4'-P energy: -72.397
bonds (distance) P-C4' energy: -120.179
flat angles C4'-P-C4' energy: -96.651
flat angles P-C4'-P energy: -69.017
tors. eta vs tors. theta energy: -50.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -756.038639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.038639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.038639 (E_RNA)
where:
Base-Base interactions energy: -431.501
where: short stacking energy: -206.912
Base-Backbone interact. energy: 1.971
local terms energy: -326.508310
where:
bonds (distance) C4'-P energy: -89.692
bonds (distance) P-C4' energy: -93.063
flat angles C4'-P-C4' energy: -78.450
flat angles P-C4'-P energy: -62.795
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -482.366500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.366500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.366500 (E_RNA)
where:
Base-Base interactions energy: -181.229
where: short stacking energy: -133.574
Base-Backbone interact. energy: 1.444
local terms energy: -302.582128
where:
bonds (distance) C4'-P energy: -88.874
bonds (distance) P-C4' energy: -107.750
flat angles C4'-P-C4' energy: -77.869
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: 13.231
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: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -502.580545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.580545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.580545 (E_RNA)
where:
Base-Base interactions energy: -222.578
where: short stacking energy: -148.872
Base-Backbone interact. energy: 0.922
local terms energy: -280.924275
where:
bonds (distance) C4'-P energy: -66.723
bonds (distance) P-C4' energy: -102.585
flat angles C4'-P-C4' energy: -71.386
flat angles P-C4'-P energy: -56.843
tors. eta vs tors. theta energy: 16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1757.935744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.935744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.935744 (E_RNA)
where:
Base-Base interactions energy: -1169.352
where: short stacking energy: -486.614
Base-Backbone interact. energy: -6.749
local terms energy: -581.834763
where:
bonds (distance) C4'-P energy: -103.263
bonds (distance) P-C4' energy: -120.425
flat angles C4'-P-C4' energy: -131.393
flat angles P-C4'-P energy: -81.848
tors. eta vs tors. theta energy: -144.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1628.734969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.734969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.734969 (E_RNA)
where:
Base-Base interactions energy: -1036.394
where: short stacking energy: -516.587
Base-Backbone interact. energy: -1.877
local terms energy: -590.463666
where:
bonds (distance) C4'-P energy: -116.712
bonds (distance) P-C4' energy: -107.243
flat angles C4'-P-C4' energy: -125.323
flat angles P-C4'-P energy: -92.083
tors. eta vs tors. theta energy: -149.103
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: 3, replica: 9
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1520.100273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.100273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.100273 (E_RNA)
where:
Base-Base interactions energy: -989.964
where: short stacking energy: -466.472
Base-Backbone interact. energy: -1.095
local terms energy: -529.041191
where:
bonds (distance) C4'-P energy: -110.156
bonds (distance) P-C4' energy: -102.369
flat angles C4'-P-C4' energy: -116.045
flat angles P-C4'-P energy: -70.210
tors. eta vs tors. theta energy: -130.262
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: 33
Temperature: 1.050000
Total energy: -1239.923343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.923343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.923343 (E_RNA)
where:
Base-Base interactions energy: -734.439
where: short stacking energy: -356.906
Base-Backbone interact. energy: -0.124
local terms energy: -505.360833
where:
bonds (distance) C4'-P energy: -111.027
bonds (distance) P-C4' energy: -109.859
flat angles C4'-P-C4' energy: -118.175
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -95.096
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: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1211.101548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.101548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.101548 (E_RNA)
where:
Base-Base interactions energy: -727.601
where: short stacking energy: -367.603
Base-Backbone interact. energy: -0.585
local terms energy: -482.916205
where:
bonds (distance) C4'-P energy: -93.583
bonds (distance) P-C4' energy: -103.860
flat angles C4'-P-C4' energy: -109.194
flat angles P-C4'-P energy: -82.033
tors. eta vs tors. theta energy: -94.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1027.978997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.978997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.978997 (E_RNA)
where:
Base-Base interactions energy: -585.500
where: short stacking energy: -329.002
Base-Backbone interact. energy: 6.251
local terms energy: -448.730575
where:
bonds (distance) C4'-P energy: -91.694
bonds (distance) P-C4' energy: -111.263
flat angles C4'-P-C4' energy: -102.070
flat angles P-C4'-P energy: -78.266
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: 7, replica: 8
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -933.479588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.479588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.479588 (E_RNA)
where:
Base-Base interactions energy: -547.032
where: short stacking energy: -270.216
Base-Backbone interact. energy: -3.151
local terms energy: -383.295905
where:
bonds (distance) C4'-P energy: -91.175
bonds (distance) P-C4' energy: -103.305
flat angles C4'-P-C4' energy: -103.712
flat angles P-C4'-P energy: -66.411
tors. eta vs tors. theta energy: -18.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -803.918634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.918634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.918634 (E_RNA)
where:
Base-Base interactions energy: -432.442
where: short stacking energy: -226.950
Base-Backbone interact. energy: -1.088
local terms energy: -370.388388
where:
bonds (distance) C4'-P energy: -82.112
bonds (distance) P-C4' energy: -101.104
flat angles C4'-P-C4' energy: -100.729
flat angles P-C4'-P energy: -62.890
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -546.737898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.737898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.737898 (E_RNA)
where:
Base-Base interactions energy: -202.488
where: short stacking energy: -165.558
Base-Backbone interact. energy: 1.282
local terms energy: -345.531571
where:
bonds (distance) C4'-P energy: -103.838
bonds (distance) P-C4' energy: -90.918
flat angles C4'-P-C4' energy: -96.961
flat angles P-C4'-P energy: -52.171
tors. eta vs tors. theta energy: -1.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -467.714641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.714641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.714641 (E_RNA)
where:
Base-Base interactions energy: -165.176
where: short stacking energy: -126.100
Base-Backbone interact. energy: -1.860
local terms energy: -300.678654
where:
bonds (distance) C4'-P energy: -76.262
bonds (distance) P-C4' energy: -101.416
flat angles C4'-P-C4' energy: -78.246
flat angles P-C4'-P energy: -61.614
tors. eta vs tors. theta energy: 16.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1740.139036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.139036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.139036 (E_RNA)
where:
Base-Base interactions energy: -1151.236
where: short stacking energy: -522.672
Base-Backbone interact. energy: -2.714
local terms energy: -586.188781
where:
bonds (distance) C4'-P energy: -117.557
bonds (distance) P-C4' energy: -115.380
flat angles C4'-P-C4' energy: -123.207
flat angles P-C4'-P energy: -86.730
tors. eta vs tors. theta energy: -143.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1608.818924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.818924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.818924 (E_RNA)
where:
Base-Base interactions energy: -1032.341
where: short stacking energy: -484.222
Base-Backbone interact. energy: -0.101
local terms energy: -576.376742
where:
bonds (distance) C4'-P energy: -104.692
bonds (distance) P-C4' energy: -118.707
flat angles C4'-P-C4' energy: -120.248
flat angles P-C4'-P energy: -87.143
tors. eta vs tors. theta energy: -145.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1607.218692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.218692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.218692 (E_RNA)
where:
Base-Base interactions energy: -1039.125
where: short stacking energy: -495.950
Base-Backbone interact. energy: 1.039
local terms energy: -569.132585
where:
bonds (distance) C4'-P energy: -104.834
bonds (distance) P-C4' energy: -126.440
flat angles C4'-P-C4' energy: -122.244
flat angles P-C4'-P energy: -85.484
tors. eta vs tors. theta energy: -130.131
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: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1334.083579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.083579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.083579 (E_RNA)
where:
Base-Base interactions energy: -819.872
where: short stacking energy: -408.015
Base-Backbone interact. energy: -0.856
local terms energy: -513.355801
where:
bonds (distance) C4'-P energy: -121.072
bonds (distance) P-C4' energy: -93.265
flat angles C4'-P-C4' energy: -117.138
flat angles P-C4'-P energy: -69.464
tors. eta vs tors. theta energy: -112.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1236.376648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.376648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.376648 (E_RNA)
where:
Base-Base interactions energy: -745.506
where: short stacking energy: -374.486
Base-Backbone interact. energy: -1.834
local terms energy: -489.036031
where:
bonds (distance) C4'-P energy: -94.607
bonds (distance) P-C4' energy: -116.138
flat angles C4'-P-C4' energy: -112.514
flat angles P-C4'-P energy: -74.389
tors. eta vs tors. theta energy: -91.388
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: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1071.328802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.328802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.328802 (E_RNA)
where:
Base-Base interactions energy: -615.769
where: short stacking energy: -334.242
Base-Backbone interact. energy: 10.225
local terms energy: -465.784481
where:
bonds (distance) C4'-P energy: -103.116
bonds (distance) P-C4' energy: -102.000
flat angles C4'-P-C4' energy: -106.330
flat angles P-C4'-P energy: -67.474
tors. eta vs tors. theta energy: -86.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -893.505254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.505254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.505254 (E_RNA)
where:
Base-Base interactions energy: -481.496
where: short stacking energy: -246.905
Base-Backbone interact. energy: -3.711
local terms energy: -408.298879
where:
bonds (distance) C4'-P energy: -95.471
bonds (distance) P-C4' energy: -121.262
flat angles C4'-P-C4' energy: -96.849
flat angles P-C4'-P energy: -68.035
tors. eta vs tors. theta energy: -26.681
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: 7
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -808.407272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.407272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.407272 (E_RNA)
where:
Base-Base interactions energy: -432.961
where: short stacking energy: -194.903
Base-Backbone interact. energy: -1.383
local terms energy: -374.063686
where:
bonds (distance) C4'-P energy: -91.493
bonds (distance) P-C4' energy: -94.111
flat angles C4'-P-C4' energy: -106.580
flat angles P-C4'-P energy: -62.692
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -545.594202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.594202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.594202 (E_RNA)
where:
Base-Base interactions energy: -226.570
where: short stacking energy: -164.502
Base-Backbone interact. energy: -1.099
local terms energy: -317.925199
where:
bonds (distance) C4'-P energy: -106.694
bonds (distance) P-C4' energy: -100.733
flat angles C4'-P-C4' energy: -87.147
flat angles P-C4'-P energy: -27.113
tors. eta vs tors. theta energy: 3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -474.166643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.166643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.166643 (E_RNA)
where:
Base-Base interactions energy: -176.694
where: short stacking energy: -130.781
Base-Backbone interact. energy: 1.549
local terms energy: -299.022344
where:
bonds (distance) C4'-P energy: -90.716
bonds (distance) P-C4' energy: -112.735
flat angles C4'-P-C4' energy: -84.141
flat angles P-C4'-P energy: -31.419
tors. eta vs tors. theta energy: 19.989
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: 3
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1737.978230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.978230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.978230 (E_RNA)
where:
Base-Base interactions energy: -1142.734
where: short stacking energy: -501.847
Base-Backbone interact. energy: -5.213
local terms energy: -590.030401
where:
bonds (distance) C4'-P energy: -123.784
bonds (distance) P-C4' energy: -123.246
flat angles C4'-P-C4' energy: -124.291
flat angles P-C4'-P energy: -75.225
tors. eta vs tors. theta energy: -143.484
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: 6
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1622.616327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.616327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.616327 (E_RNA)
where:
Base-Base interactions energy: -1042.323
where: short stacking energy: -516.648
Base-Backbone interact. energy: -2.438
local terms energy: -577.855398
where:
bonds (distance) C4'-P energy: -108.358
bonds (distance) P-C4' energy: -118.328
flat angles C4'-P-C4' energy: -119.302
flat angles P-C4'-P energy: -77.817
tors. eta vs tors. theta energy: -154.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1590.326219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.326219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.326219 (E_RNA)
where:
Base-Base interactions energy: -1039.458
where: short stacking energy: -475.855
Base-Backbone interact. energy: -1.537
local terms energy: -549.331097
where:
bonds (distance) C4'-P energy: -103.626
bonds (distance) P-C4' energy: -107.337
flat angles C4'-P-C4' energy: -114.202
flat angles P-C4'-P energy: -94.486
tors. eta vs tors. theta energy: -129.680
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: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1330.057069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.057069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.057069 (E_RNA)
where:
Base-Base interactions energy: -825.242
where: short stacking energy: -389.272
Base-Backbone interact. energy: -0.663
local terms energy: -504.151561
where:
bonds (distance) C4'-P energy: -114.994
bonds (distance) P-C4' energy: -109.496
flat angles C4'-P-C4' energy: -105.518
flat angles P-C4'-P energy: -75.912
tors. eta vs tors. theta energy: -98.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1169.883140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.883140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.883140 (E_RNA)
where:
Base-Base interactions energy: -704.420
where: short stacking energy: -359.967
Base-Backbone interact. energy: 0.244
local terms energy: -465.707056
where:
bonds (distance) C4'-P energy: -112.237
bonds (distance) P-C4' energy: -102.736
flat angles C4'-P-C4' energy: -109.228
flat angles P-C4'-P energy: -60.572
tors. eta vs tors. theta energy: -80.934
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: 8
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1032.287938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.287938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.287938 (E_RNA)
where:
Base-Base interactions energy: -627.844
where: short stacking energy: -307.691
Base-Backbone interact. energy: -1.901
local terms energy: -402.543076
where:
bonds (distance) C4'-P energy: -113.023
bonds (distance) P-C4' energy: -92.211
flat angles C4'-P-C4' energy: -86.967
flat angles P-C4'-P energy: -62.808
tors. eta vs tors. theta energy: -47.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -985.208782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.208782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.208782 (E_RNA)
where:
Base-Base interactions energy: -578.882
where: short stacking energy: -314.867
Base-Backbone interact. energy: 0.706
local terms energy: -407.033100
where:
bonds (distance) C4'-P energy: -96.022
bonds (distance) P-C4' energy: -91.685
flat angles C4'-P-C4' energy: -104.602
flat angles P-C4'-P energy: -55.394
tors. eta vs tors. theta energy: -59.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -848.818423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.818423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.818423 (E_RNA)
where:
Base-Base interactions energy: -495.078
where: short stacking energy: -255.532
Base-Backbone interact. energy: -1.942
local terms energy: -351.798552
where:
bonds (distance) C4'-P energy: -85.881
bonds (distance) P-C4' energy: -106.560
flat angles C4'-P-C4' energy: -95.107
flat angles P-C4'-P energy: -34.706
tors. eta vs tors. theta energy: -29.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -498.184425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.184425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.184425 (E_RNA)
where:
Base-Base interactions energy: -186.659
where: short stacking energy: -121.778
Base-Backbone interact. energy: 3.907
local terms energy: -315.432542
where:
bonds (distance) C4'-P energy: -108.103
bonds (distance) P-C4' energy: -97.409
flat angles C4'-P-C4' energy: -80.230
flat angles P-C4'-P energy: -61.010
tors. eta vs tors. theta energy: 31.319
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: 4
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -482.569550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.569550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.569550 (E_RNA)
where:
Base-Base interactions energy: -193.981
where: short stacking energy: -157.886
Base-Backbone interact. energy: 5.525
local terms energy: -294.113823
where:
bonds (distance) C4'-P energy: -94.666
bonds (distance) P-C4' energy: -92.168
flat angles C4'-P-C4' energy: -70.947
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: 4.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1704.768288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.768288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.768288 (E_RNA)
where:
Base-Base interactions energy: -1141.124
where: short stacking energy: -481.765
Base-Backbone interact. energy: 0.535
local terms energy: -564.179422
where:
bonds (distance) C4'-P energy: -103.899
bonds (distance) P-C4' energy: -118.576
flat angles C4'-P-C4' energy: -137.425
flat angles P-C4'-P energy: -71.425
tors. eta vs tors. theta energy: -132.856
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: 6
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -1619.026662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.026662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.026662 (E_RNA)
where:
Base-Base interactions energy: -1032.311
where: short stacking energy: -520.534
Base-Backbone interact. energy: -3.253
local terms energy: -583.462998
where:
bonds (distance) C4'-P energy: -114.657
bonds (distance) P-C4' energy: -109.231
flat angles C4'-P-C4' energy: -118.473
flat angles P-C4'-P energy: -85.323
tors. eta vs tors. theta energy: -155.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1622.025084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.025084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.025084 (E_RNA)
where:
Base-Base interactions energy: -1085.126
where: short stacking energy: -497.718
Base-Backbone interact. energy: -0.637
local terms energy: -536.262718
where:
bonds (distance) C4'-P energy: -108.352
bonds (distance) P-C4' energy: -102.874
flat angles C4'-P-C4' energy: -122.565
flat angles P-C4'-P energy: -70.656
tors. eta vs tors. theta energy: -131.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1351.409250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.409250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.409250 (E_RNA)
where:
Base-Base interactions energy: -850.780
where: short stacking energy: -404.214
Base-Backbone interact. energy: -3.206
local terms energy: -497.423588
where:
bonds (distance) C4'-P energy: -102.948
bonds (distance) P-C4' energy: -105.662
flat angles C4'-P-C4' energy: -106.933
flat angles P-C4'-P energy: -76.387
tors. eta vs tors. theta energy: -105.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1127.769663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.769663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.769663 (E_RNA)
where:
Base-Base interactions energy: -659.230
where: short stacking energy: -310.177
Base-Backbone interact. energy: 0.372
local terms energy: -468.911242
where:
bonds (distance) C4'-P energy: -98.269
bonds (distance) P-C4' energy: -111.262
flat angles C4'-P-C4' energy: -114.778
flat angles P-C4'-P energy: -72.969
tors. eta vs tors. theta energy: -71.633
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: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1080.919888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.919888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.919888 (E_RNA)
where:
Base-Base interactions energy: -630.975
where: short stacking energy: -332.887
Base-Backbone interact. energy: 2.775
local terms energy: -452.720334
where:
bonds (distance) C4'-P energy: -104.196
bonds (distance) P-C4' energy: -104.452
flat angles C4'-P-C4' energy: -106.581
flat angles P-C4'-P energy: -64.668
tors. eta vs tors. theta energy: -72.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -910.842149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.842149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.842149 (E_RNA)
where:
Base-Base interactions energy: -526.593
where: short stacking energy: -268.196
Base-Backbone interact. energy: -0.867
local terms energy: -383.382533
where:
bonds (distance) C4'-P energy: -89.028
bonds (distance) P-C4' energy: -104.443
flat angles C4'-P-C4' energy: -83.961
flat angles P-C4'-P energy: -61.832
tors. eta vs tors. theta energy: -44.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -845.233415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.233415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.233415 (E_RNA)
where:
Base-Base interactions energy: -527.140
where: short stacking energy: -267.347
Base-Backbone interact. energy: 0.189
local terms energy: -318.282958
where:
bonds (distance) C4'-P energy: -74.381
bonds (distance) P-C4' energy: -88.267
flat angles C4'-P-C4' energy: -84.713
flat angles P-C4'-P energy: -53.004
tors. eta vs tors. theta energy: -17.918
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: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -465.191968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.191968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.191968 (E_RNA)
where:
Base-Base interactions energy: -162.781
where: short stacking energy: -111.061
Base-Backbone interact. energy: 0.968
local terms energy: -303.379188
where:
bonds (distance) C4'-P energy: -92.262
bonds (distance) P-C4' energy: -96.117
flat angles C4'-P-C4' energy: -76.434
flat angles P-C4'-P energy: -54.775
tors. eta vs tors. theta energy: 16.208
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: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -449.177414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.177414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.177414 (E_RNA)
where:
Base-Base interactions energy: -147.626
where: short stacking energy: -138.470
Base-Backbone interact. energy: -0.313
local terms energy: -301.238844
where:
bonds (distance) C4'-P energy: -96.234
bonds (distance) P-C4' energy: -104.555
flat angles C4'-P-C4' energy: -75.452
flat angles P-C4'-P energy: -43.567
tors. eta vs tors. theta energy: 18.569
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: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1733.952050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.952050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.952050 (E_RNA)
where:
Base-Base interactions energy: -1139.580
where: short stacking energy: -502.406
Base-Backbone interact. energy: -3.614
local terms energy: -590.757656
where:
bonds (distance) C4'-P energy: -115.460
bonds (distance) P-C4' energy: -118.995
flat angles C4'-P-C4' energy: -127.216
flat angles P-C4'-P energy: -92.652
tors. eta vs tors. theta energy: -136.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1607.522094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.522094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.522094 (E_RNA)
where:
Base-Base interactions energy: -1029.012
where: short stacking energy: -512.023
Base-Backbone interact. energy: -1.939
local terms energy: -576.571164
where:
bonds (distance) C4'-P energy: -98.674
bonds (distance) P-C4' energy: -117.594
flat angles C4'-P-C4' energy: -123.403
flat angles P-C4'-P energy: -87.734
tors. eta vs tors. theta energy: -149.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1666.967996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.967996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.967996 (E_RNA)
where:
Base-Base interactions energy: -1120.148
where: short stacking energy: -503.019
Base-Backbone interact. energy: 2.225
local terms energy: -549.044931
where:
bonds (distance) C4'-P energy: -90.887
bonds (distance) P-C4' energy: -122.246
flat angles C4'-P-C4' energy: -123.043
flat angles P-C4'-P energy: -74.803
tors. eta vs tors. theta energy: -138.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1305.357796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.357796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.357796 (E_RNA)
where:
Base-Base interactions energy: -820.305
where: short stacking energy: -374.419
Base-Backbone interact. energy: -2.259
local terms energy: -482.793634
where:
bonds (distance) C4'-P energy: -100.051
bonds (distance) P-C4' energy: -115.313
flat angles C4'-P-C4' energy: -108.346
flat angles P-C4'-P energy: -70.905
tors. eta vs tors. theta energy: -88.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1155.943040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.943040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.943040 (E_RNA)
where:
Base-Base interactions energy: -705.594
where: short stacking energy: -344.414
Base-Backbone interact. energy: 5.289
local terms energy: -455.638106
where:
bonds (distance) C4'-P energy: -90.398
bonds (distance) P-C4' energy: -112.506
flat angles C4'-P-C4' energy: -101.947
flat angles P-C4'-P energy: -77.415
tors. eta vs tors. theta energy: -73.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1130.750091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.750091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.750091 (E_RNA)
where:
Base-Base interactions energy: -682.108
where: short stacking energy: -320.845
Base-Backbone interact. energy: -1.851
local terms energy: -446.791340
where:
bonds (distance) C4'-P energy: -106.349
bonds (distance) P-C4' energy: -98.870
flat angles C4'-P-C4' energy: -115.106
flat angles P-C4'-P energy: -62.114
tors. eta vs tors. theta energy: -64.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -858.740131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.740131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.740131 (E_RNA)
where:
Base-Base interactions energy: -452.830
where: short stacking energy: -208.239
Base-Backbone interact. energy: -0.507
local terms energy: -405.403686
where:
bonds (distance) C4'-P energy: -100.345
bonds (distance) P-C4' energy: -123.862
flat angles C4'-P-C4' energy: -104.413
flat angles P-C4'-P energy: -51.673
tors. eta vs tors. theta energy: -25.111
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: 7
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -819.453700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.453700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.453700 (E_RNA)
where:
Base-Base interactions energy: -460.700
where: short stacking energy: -216.639
Base-Backbone interact. energy: 1.524
local terms energy: -360.278033
where:
bonds (distance) C4'-P energy: -106.770
bonds (distance) P-C4' energy: -116.682
flat angles C4'-P-C4' energy: -74.055
flat angles P-C4'-P energy: -47.779
tors. eta vs tors. theta energy: -14.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -515.414007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.414007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.414007 (E_RNA)
where:
Base-Base interactions energy: -204.162
where: short stacking energy: -153.613
Base-Backbone interact. energy: 3.515
local terms energy: -314.766424
where:
bonds (distance) C4'-P energy: -96.840
bonds (distance) P-C4' energy: -101.755
flat angles C4'-P-C4' energy: -87.941
flat angles P-C4'-P energy: -46.356
tors. eta vs tors. theta energy: 18.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -499.741806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.741806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.741806 (E_RNA)
where:
Base-Base interactions energy: -183.688
where: short stacking energy: -127.163
Base-Backbone interact. energy: 0.785
local terms energy: -316.839549
where:
bonds (distance) C4'-P energy: -97.013
bonds (distance) P-C4' energy: -113.322
flat angles C4'-P-C4' energy: -81.931
flat angles P-C4'-P energy: -42.870
tors. eta vs tors. theta energy: 18.297
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: 3
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1717.498955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.498955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.498955 (E_RNA)
where:
Base-Base interactions energy: -1118.746
where: short stacking energy: -500.546
Base-Backbone interact. energy: -2.516
local terms energy: -596.236731
where:
bonds (distance) C4'-P energy: -115.339
bonds (distance) P-C4' energy: -112.368
flat angles C4'-P-C4' energy: -123.556
flat angles P-C4'-P energy: -94.805
tors. eta vs tors. theta energy: -150.169
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: 6
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1632.059640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.059640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.059640 (E_RNA)
where:
Base-Base interactions energy: -1045.919
where: short stacking energy: -497.999
Base-Backbone interact. energy: -1.504
local terms energy: -584.636554
where:
bonds (distance) C4'-P energy: -117.214
bonds (distance) P-C4' energy: -113.204
flat angles C4'-P-C4' energy: -130.058
flat angles P-C4'-P energy: -81.400
tors. eta vs tors. theta energy: -142.761
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: 38
Temperature: 1.000000
Total energy: -1699.045877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.045877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.045877 (E_RNA)
where:
Base-Base interactions energy: -1126.628
where: short stacking energy: -494.683
Base-Backbone interact. energy: 1.203
local terms energy: -573.621089
where:
bonds (distance) C4'-P energy: -114.335
bonds (distance) P-C4' energy: -111.939
flat angles C4'-P-C4' energy: -128.661
flat angles P-C4'-P energy: -80.360
tors. eta vs tors. theta energy: -138.326
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: 2
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1364.666267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.666267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.666267 (E_RNA)
where:
Base-Base interactions energy: -910.585
where: short stacking energy: -401.720
Base-Backbone interact. energy: -0.149
local terms energy: -453.932663
where:
bonds (distance) C4'-P energy: -87.334
bonds (distance) P-C4' energy: -89.135
flat angles C4'-P-C4' energy: -111.528
flat angles P-C4'-P energy: -77.527
tors. eta vs tors. theta energy: -88.409
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: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1133.285306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.285306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.285306 (E_RNA)
where:
Base-Base interactions energy: -676.519
where: short stacking energy: -355.786
Base-Backbone interact. energy: -3.129
local terms energy: -453.637489
where:
bonds (distance) C4'-P energy: -99.519
bonds (distance) P-C4' energy: -101.274
flat angles C4'-P-C4' energy: -114.841
flat angles P-C4'-P energy: -62.961
tors. eta vs tors. theta energy: -75.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1060.215585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.215585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.215585 (E_RNA)
where:
Base-Base interactions energy: -652.402
where: short stacking energy: -297.639
Base-Backbone interact. energy: 2.271
local terms energy: -410.084674
where:
bonds (distance) C4'-P energy: -83.992
bonds (distance) P-C4' energy: -104.209
flat angles C4'-P-C4' energy: -94.433
flat angles P-C4'-P energy: -65.734
tors. eta vs tors. theta energy: -61.716
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: 7, replica: 1
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -866.187626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.187626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.187626 (E_RNA)
where:
Base-Base interactions energy: -489.801
where: short stacking energy: -233.841
Base-Backbone interact. energy: 1.093
local terms energy: -377.480195
where:
bonds (distance) C4'-P energy: -104.838
bonds (distance) P-C4' energy: -105.157
flat angles C4'-P-C4' energy: -84.419
flat angles P-C4'-P energy: -65.978
tors. eta vs tors. theta energy: -17.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -809.148539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.148539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.148539 (E_RNA)
where:
Base-Base interactions energy: -459.548
where: short stacking energy: -232.411
Base-Backbone interact. energy: -0.446
local terms energy: -349.154901
where:
bonds (distance) C4'-P energy: -88.867
bonds (distance) P-C4' energy: -88.665
flat angles C4'-P-C4' energy: -92.283
flat angles P-C4'-P energy: -50.910
tors. eta vs tors. theta energy: -28.430
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: 4
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -566.849385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.849385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.849385 (E_RNA)
where:
Base-Base interactions energy: -209.431
where: short stacking energy: -158.642
Base-Backbone interact. energy: -0.415
local terms energy: -357.003631
where:
bonds (distance) C4'-P energy: -95.706
bonds (distance) P-C4' energy: -105.264
flat angles C4'-P-C4' energy: -109.359
flat angles P-C4'-P energy: -49.099
tors. eta vs tors. theta energy: 2.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -460.872611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.872611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.872611 (E_RNA)
where:
Base-Base interactions energy: -167.602
where: short stacking energy: -129.388
Base-Backbone interact. energy: -1.019
local terms energy: -292.251398
where:
bonds (distance) C4'-P energy: -90.084
bonds (distance) P-C4' energy: -105.386
flat angles C4'-P-C4' energy: -97.094
flat angles P-C4'-P energy: -19.012
tors. eta vs tors. theta energy: 19.324
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: 3
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1723.106859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.106859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.106859 (E_RNA)
where:
Base-Base interactions energy: -1133.352
where: short stacking energy: -501.562
Base-Backbone interact. energy: -4.793
local terms energy: -584.961953
where:
bonds (distance) C4'-P energy: -122.034
bonds (distance) P-C4' energy: -113.645
flat angles C4'-P-C4' energy: -125.102
flat angles P-C4'-P energy: -80.484
tors. eta vs tors. theta energy: -143.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1736.806521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.806521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.806521 (E_RNA)
where:
Base-Base interactions energy: -1185.595
where: short stacking energy: -536.692
Base-Backbone interact. energy: -4.427
local terms energy: -546.785215
where:
bonds (distance) C4'-P energy: -103.531
bonds (distance) P-C4' energy: -100.093
flat angles C4'-P-C4' energy: -124.727
flat angles P-C4'-P energy: -71.348
tors. eta vs tors. theta energy: -147.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1610.581326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.581326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.581326 (E_RNA)
where:
Base-Base interactions energy: -1030.905
where: short stacking energy: -501.341
Base-Backbone interact. energy: -0.526
local terms energy: -579.150599
where:
bonds (distance) C4'-P energy: -110.257
bonds (distance) P-C4' energy: -115.987
flat angles C4'-P-C4' energy: -128.059
flat angles P-C4'-P energy: -76.665
tors. eta vs tors. theta energy: -148.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1354.456352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.456352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.456352 (E_RNA)
where:
Base-Base interactions energy: -877.204
where: short stacking energy: -374.165
Base-Backbone interact. energy: -2.523
local terms energy: -474.729428
where:
bonds (distance) C4'-P energy: -105.726
bonds (distance) P-C4' energy: -107.755
flat angles C4'-P-C4' energy: -105.729
flat angles P-C4'-P energy: -55.168
tors. eta vs tors. theta energy: -100.352
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: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1148.149611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.149611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.149611 (E_RNA)
where:
Base-Base interactions energy: -716.554
where: short stacking energy: -367.593
Base-Backbone interact. energy: 3.598
local terms energy: -435.193369
where:
bonds (distance) C4'-P energy: -97.485
bonds (distance) P-C4' energy: -91.563
flat angles C4'-P-C4' energy: -114.126
flat angles P-C4'-P energy: -65.332
tors. eta vs tors. theta energy: -66.687
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: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1104.180747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.180747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.180747 (E_RNA)
where:
Base-Base interactions energy: -668.551
where: short stacking energy: -324.083
Base-Backbone interact. energy: -0.913
local terms energy: -434.716993
where:
bonds (distance) C4'-P energy: -98.357
bonds (distance) P-C4' energy: -104.827
flat angles C4'-P-C4' energy: -98.796
flat angles P-C4'-P energy: -72.126
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: 7, replica: 1
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -809.114468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.114468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.114468 (E_RNA)
where:
Base-Base interactions energy: -428.855
where: short stacking energy: -223.815
Base-Backbone interact. energy: -0.178
local terms energy: -380.081853
where:
bonds (distance) C4'-P energy: -98.158
bonds (distance) P-C4' energy: -105.412
flat angles C4'-P-C4' energy: -90.112
flat angles P-C4'-P energy: -66.295
tors. eta vs tors. theta energy: -20.105
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: 8, replica: 7
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -856.215739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.215739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.215739 (E_RNA)
where:
Base-Base interactions energy: -457.652
where: short stacking energy: -241.936
Base-Backbone interact. energy: -2.723
local terms energy: -395.841211
where:
bonds (distance) C4'-P energy: -98.274
bonds (distance) P-C4' energy: -111.465
flat angles C4'-P-C4' energy: -103.820
flat angles P-C4'-P energy: -53.684
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: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -637.459862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.459862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.459862 (E_RNA)
where:
Base-Base interactions energy: -335.758
where: short stacking energy: -192.432
Base-Backbone interact. energy: 1.273
local terms energy: -302.974856
where:
bonds (distance) C4'-P energy: -85.649
bonds (distance) P-C4' energy: -106.533
flat angles C4'-P-C4' energy: -70.946
flat angles P-C4'-P energy: -34.471
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -447.255304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.255304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.255304 (E_RNA)
where:
Base-Base interactions energy: -148.981
where: short stacking energy: -116.418
Base-Backbone interact. energy: -3.076
local terms energy: -295.198239
where:
bonds (distance) C4'-P energy: -92.852
bonds (distance) P-C4' energy: -87.498
flat angles C4'-P-C4' energy: -88.368
flat angles P-C4'-P energy: -51.631
tors. eta vs tors. theta energy: 25.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1796.830791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.830791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.830791 (E_RNA)
where:
Base-Base interactions energy: -1208.510
where: short stacking energy: -544.148
Base-Backbone interact. energy: -3.419
local terms energy: -584.901750
where:
bonds (distance) C4'-P energy: -119.098
bonds (distance) P-C4' energy: -112.166
flat angles C4'-P-C4' energy: -122.625
flat angles P-C4'-P energy: -82.836
tors. eta vs tors. theta energy: -148.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1660.238784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.238784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.238784 (E_RNA)
where:
Base-Base interactions energy: -1106.327
where: short stacking energy: -468.480
Base-Backbone interact. energy: 1.945
local terms energy: -555.856433
where:
bonds (distance) C4'-P energy: -102.888
bonds (distance) P-C4' energy: -116.613
flat angles C4'-P-C4' energy: -124.784
flat angles P-C4'-P energy: -82.480
tors. eta vs tors. theta energy: -129.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1614.298164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.298164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.298164 (E_RNA)
where:
Base-Base interactions energy: -1035.075
where: short stacking energy: -500.657
Base-Backbone interact. energy: 0.014
local terms energy: -579.237036
where:
bonds (distance) C4'-P energy: -123.928
bonds (distance) P-C4' energy: -106.721
flat angles C4'-P-C4' energy: -121.549
flat angles P-C4'-P energy: -85.777
tors. eta vs tors. theta energy: -141.262
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: 40
Temperature: 1.050000
Total energy: -1461.621959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.621959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.621959 (E_RNA)
where:
Base-Base interactions energy: -914.209
where: short stacking energy: -421.562
Base-Backbone interact. energy: -4.545
local terms energy: -542.868468
where:
bonds (distance) C4'-P energy: -99.040
bonds (distance) P-C4' energy: -117.550
flat angles C4'-P-C4' energy: -119.671
flat angles P-C4'-P energy: -88.915
tors. eta vs tors. theta energy: -117.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1238.791665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.791665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.791665 (E_RNA)
where:
Base-Base interactions energy: -760.971
where: short stacking energy: -365.746
Base-Backbone interact. energy: -0.930
local terms energy: -476.890467
where:
bonds (distance) C4'-P energy: -93.664
bonds (distance) P-C4' energy: -112.054
flat angles C4'-P-C4' energy: -102.096
flat angles P-C4'-P energy: -77.083
tors. eta vs tors. theta energy: -91.994
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: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1096.898297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.898297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.898297 (E_RNA)
where:
Base-Base interactions energy: -669.169
where: short stacking energy: -309.499
Base-Backbone interact. energy: -3.084
local terms energy: -424.645828
where:
bonds (distance) C4'-P energy: -100.443
bonds (distance) P-C4' energy: -101.415
flat angles C4'-P-C4' energy: -99.871
flat angles P-C4'-P energy: -59.278
tors. eta vs tors. theta energy: -63.639
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: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -896.848059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.848059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.848059 (E_RNA)
where:
Base-Base interactions energy: -502.243
where: short stacking energy: -265.358
Base-Backbone interact. energy: 2.862
local terms energy: -397.467228
where:
bonds (distance) C4'-P energy: -95.053
bonds (distance) P-C4' energy: -122.315
flat angles C4'-P-C4' energy: -90.920
flat angles P-C4'-P energy: -57.962
tors. eta vs tors. theta energy: -31.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -824.849751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.849751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.849751 (E_RNA)
where:
Base-Base interactions energy: -451.582
where: short stacking energy: -238.791
Base-Backbone interact. energy: -2.194
local terms energy: -371.073856
where:
bonds (distance) C4'-P energy: -88.822
bonds (distance) P-C4' energy: -101.068
flat angles C4'-P-C4' energy: -88.099
flat angles P-C4'-P energy: -65.243
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: 9, replica: 10
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -511.402898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.402898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.402898 (E_RNA)
where:
Base-Base interactions energy: -205.440
where: short stacking energy: -142.774
Base-Backbone interact. energy: -0.549
local terms energy: -305.413876
where:
bonds (distance) C4'-P energy: -86.963
bonds (distance) P-C4' energy: -103.471
flat angles C4'-P-C4' energy: -94.130
flat angles P-C4'-P energy: -43.989
tors. eta vs tors. theta energy: 23.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -572.428649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.428649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.428649 (E_RNA)
where:
Base-Base interactions energy: -250.330
where: short stacking energy: -153.905
Base-Backbone interact. energy: -0.007
local terms energy: -322.091502
where:
bonds (distance) C4'-P energy: -99.253
bonds (distance) P-C4' energy: -85.803
flat angles C4'-P-C4' energy: -89.207
flat angles P-C4'-P energy: -59.463
tors. eta vs tors. theta energy: 11.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1812.683079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.683079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.683079 (E_RNA)
where:
Base-Base interactions energy: -1211.938
where: short stacking energy: -541.294
Base-Backbone interact. energy: -1.620
local terms energy: -599.125952
where:
bonds (distance) C4'-P energy: -112.334
bonds (distance) P-C4' energy: -109.814
flat angles C4'-P-C4' energy: -129.297
flat angles P-C4'-P energy: -84.651
tors. eta vs tors. theta energy: -163.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1641.024974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.024974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.024974 (E_RNA)
where:
Base-Base interactions energy: -1061.593
where: short stacking energy: -501.885
Base-Backbone interact. energy: -3.476
local terms energy: -575.955740
where:
bonds (distance) C4'-P energy: -100.930
bonds (distance) P-C4' energy: -116.584
flat angles C4'-P-C4' energy: -130.370
flat angles P-C4'-P energy: -86.850
tors. eta vs tors. theta energy: -141.222
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: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1613.647679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.647679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.647679 (E_RNA)
where:
Base-Base interactions energy: -1041.610
where: short stacking energy: -483.805
Base-Backbone interact. energy: -4.691
local terms energy: -567.346637
where:
bonds (distance) C4'-P energy: -111.499
bonds (distance) P-C4' energy: -110.758
flat angles C4'-P-C4' energy: -113.086
flat angles P-C4'-P energy: -82.250
tors. eta vs tors. theta energy: -149.753
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: 2
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1461.838760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.838760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.838760 (E_RNA)
where:
Base-Base interactions energy: -969.975
where: short stacking energy: -441.355
Base-Backbone interact. energy: 0.355
local terms energy: -492.218921
where:
bonds (distance) C4'-P energy: -106.882
bonds (distance) P-C4' energy: -111.188
flat angles C4'-P-C4' energy: -112.411
flat angles P-C4'-P energy: -48.313
tors. eta vs tors. theta energy: -113.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1236.056767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.056767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.056767 (E_RNA)
where:
Base-Base interactions energy: -760.735
where: short stacking energy: -385.345
Base-Backbone interact. energy: -2.874
local terms energy: -472.447013
where:
bonds (distance) C4'-P energy: -115.387
bonds (distance) P-C4' energy: -109.825
flat angles C4'-P-C4' energy: -99.072
flat angles P-C4'-P energy: -69.596
tors. eta vs tors. theta energy: -78.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1086.499748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.499748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.499748 (E_RNA)
where:
Base-Base interactions energy: -650.858
where: short stacking energy: -327.237
Base-Backbone interact. energy: 1.705
local terms energy: -437.346546
where:
bonds (distance) C4'-P energy: -87.750
bonds (distance) P-C4' energy: -109.345
flat angles C4'-P-C4' energy: -111.411
flat angles P-C4'-P energy: -56.367
tors. eta vs tors. theta energy: -72.473
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: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -839.905795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.905795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.905795 (E_RNA)
where:
Base-Base interactions energy: -471.353
where: short stacking energy: -261.212
Base-Backbone interact. energy: 3.328
local terms energy: -371.880767
where:
bonds (distance) C4'-P energy: -96.134
bonds (distance) P-C4' energy: -93.319
flat angles C4'-P-C4' energy: -98.814
flat angles P-C4'-P energy: -58.062
tors. eta vs tors. theta energy: -25.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -793.517631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.517631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.517631 (E_RNA)
where:
Base-Base interactions energy: -410.475
where: short stacking energy: -229.476
Base-Backbone interact. energy: 2.418
local terms energy: -385.460817
where:
bonds (distance) C4'-P energy: -103.117
bonds (distance) P-C4' energy: -107.023
flat angles C4'-P-C4' energy: -94.205
flat angles P-C4'-P energy: -47.043
tors. eta vs tors. theta energy: -34.072
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: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -491.911139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.911139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.911139 (E_RNA)
where:
Base-Base interactions energy: -158.255
where: short stacking energy: -127.215
Base-Backbone interact. energy: 2.153
local terms energy: -335.809273
where:
bonds (distance) C4'-P energy: -100.767
bonds (distance) P-C4' energy: -106.508
flat angles C4'-P-C4' energy: -88.904
flat angles P-C4'-P energy: -54.222
tors. eta vs tors. theta energy: 14.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -535.263692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.263692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.263692 (E_RNA)
where:
Base-Base interactions energy: -253.088
where: short stacking energy: -162.689
Base-Backbone interact. energy: -0.167
local terms energy: -282.008150
where:
bonds (distance) C4'-P energy: -96.030
bonds (distance) P-C4' energy: -96.279
flat angles C4'-P-C4' energy: -76.305
flat angles P-C4'-P energy: -36.766
tors. eta vs tors. theta energy: 23.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1832.472196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.472196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.472196 (E_RNA)
where:
Base-Base interactions energy: -1212.773
where: short stacking energy: -533.894
Base-Backbone interact. energy: -4.549
local terms energy: -615.150018
where:
bonds (distance) C4'-P energy: -119.643
bonds (distance) P-C4' energy: -116.498
flat angles C4'-P-C4' energy: -130.934
flat angles P-C4'-P energy: -92.323
tors. eta vs tors. theta energy: -155.752
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: 3
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1643.765204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.765204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.765204 (E_RNA)
where:
Base-Base interactions energy: -1068.195
where: short stacking energy: -472.809
Base-Backbone interact. energy: -1.123
local terms energy: -574.447805
where:
bonds (distance) C4'-P energy: -130.806
bonds (distance) P-C4' energy: -120.909
flat angles C4'-P-C4' energy: -113.711
flat angles P-C4'-P energy: -90.624
tors. eta vs tors. theta energy: -118.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -1589.181018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.181018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.181018 (E_RNA)
where:
Base-Base interactions energy: -1048.544
where: short stacking energy: -492.752
Base-Backbone interact. energy: -1.538
local terms energy: -539.099875
where:
bonds (distance) C4'-P energy: -116.192
bonds (distance) P-C4' energy: -108.797
flat angles C4'-P-C4' energy: -107.480
flat angles P-C4'-P energy: -72.007
tors. eta vs tors. theta energy: -134.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1465.854775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.854775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.854775 (E_RNA)
where:
Base-Base interactions energy: -948.793
where: short stacking energy: -412.349
Base-Backbone interact. energy: -2.299
local terms energy: -514.762606
where:
bonds (distance) C4'-P energy: -113.629
bonds (distance) P-C4' energy: -114.494
flat angles C4'-P-C4' energy: -120.754
flat angles P-C4'-P energy: -70.657
tors. eta vs tors. theta energy: -95.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1242.883145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.883145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.883145 (E_RNA)
where:
Base-Base interactions energy: -786.176
where: short stacking energy: -411.257
Base-Backbone interact. energy: -1.905
local terms energy: -454.802039
where:
bonds (distance) C4'-P energy: -101.668
bonds (distance) P-C4' energy: -88.564
flat angles C4'-P-C4' energy: -97.303
flat angles P-C4'-P energy: -62.082
tors. eta vs tors. theta energy: -105.185
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: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1059.284315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.284315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.284315 (E_RNA)
where:
Base-Base interactions energy: -648.959
where: short stacking energy: -326.253
Base-Backbone interact. energy: -0.952
local terms energy: -409.373803
where:
bonds (distance) C4'-P energy: -89.496
bonds (distance) P-C4' energy: -91.299
flat angles C4'-P-C4' energy: -94.949
flat angles P-C4'-P energy: -68.148
tors. eta vs tors. theta energy: -65.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -820.737200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.737200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.737200 (E_RNA)
where:
Base-Base interactions energy: -410.883
where: short stacking energy: -216.624
Base-Backbone interact. energy: -1.273
local terms energy: -408.581485
where:
bonds (distance) C4'-P energy: -91.348
bonds (distance) P-C4' energy: -117.800
flat angles C4'-P-C4' energy: -106.745
flat angles P-C4'-P energy: -64.084
tors. eta vs tors. theta energy: -28.605
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: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -741.631600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.631600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.631600 (E_RNA)
where:
Base-Base interactions energy: -383.598
where: short stacking energy: -225.957
Base-Backbone interact. energy: 3.163
local terms energy: -361.196748
where:
bonds (distance) C4'-P energy: -96.743
bonds (distance) P-C4' energy: -100.321
flat angles C4'-P-C4' energy: -78.168
flat angles P-C4'-P energy: -68.758
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -497.733286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.733286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.733286 (E_RNA)
where:
Base-Base interactions energy: -176.108
where: short stacking energy: -127.668
Base-Backbone interact. energy: -0.673
local terms energy: -320.952087
where:
bonds (distance) C4'-P energy: -107.374
bonds (distance) P-C4' energy: -91.834
flat angles C4'-P-C4' energy: -103.628
flat angles P-C4'-P energy: -45.129
tors. eta vs tors. theta energy: 27.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -438.923542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.923542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.923542 (E_RNA)
where:
Base-Base interactions energy: -160.546
where: short stacking energy: -120.774
Base-Backbone interact. energy: -2.116
local terms energy: -276.261372
where:
bonds (distance) C4'-P energy: -69.863
bonds (distance) P-C4' energy: -93.477
flat angles C4'-P-C4' energy: -81.385
flat angles P-C4'-P energy: -52.367
tors. eta vs tors. theta energy: 20.830
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: 9
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1844.198232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.198232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.198232 (E_RNA)
where:
Base-Base interactions energy: -1234.391
where: short stacking energy: -516.944
Base-Backbone interact. energy: -3.120
local terms energy: -606.688088
where:
bonds (distance) C4'-P energy: -119.687
bonds (distance) P-C4' energy: -122.080
flat angles C4'-P-C4' energy: -136.217
flat angles P-C4'-P energy: -74.265
tors. eta vs tors. theta energy: -154.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1644.061824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.061824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.061824 (E_RNA)
where:
Base-Base interactions energy: -1089.146
where: short stacking energy: -481.254
Base-Backbone interact. energy: -2.449
local terms energy: -552.466396
where:
bonds (distance) C4'-P energy: -113.636
bonds (distance) P-C4' energy: -104.583
flat angles C4'-P-C4' energy: -117.069
flat angles P-C4'-P energy: -84.319
tors. eta vs tors. theta energy: -132.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1529.086047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.086047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.086047 (E_RNA)
where:
Base-Base interactions energy: -976.997
where: short stacking energy: -477.446
Base-Backbone interact. energy: -2.063
local terms energy: -550.025926
where:
bonds (distance) C4'-P energy: -117.076
bonds (distance) P-C4' energy: -104.555
flat angles C4'-P-C4' energy: -115.999
flat angles P-C4'-P energy: -69.636
tors. eta vs tors. theta energy: -142.760
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: 43
Temperature: 1.050000
Total energy: -1474.137379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.137379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.137379 (E_RNA)
where:
Base-Base interactions energy: -953.834
where: short stacking energy: -420.811
Base-Backbone interact. energy: -1.920
local terms energy: -518.383254
where:
bonds (distance) C4'-P energy: -98.176
bonds (distance) P-C4' energy: -121.396
flat angles C4'-P-C4' energy: -124.694
flat angles P-C4'-P energy: -68.682
tors. eta vs tors. theta energy: -105.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1252.255393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.255393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.255393 (E_RNA)
where:
Base-Base interactions energy: -751.475
where: short stacking energy: -382.804
Base-Backbone interact. energy: -3.218
local terms energy: -497.561786
where:
bonds (distance) C4'-P energy: -113.990
bonds (distance) P-C4' energy: -111.116
flat angles C4'-P-C4' energy: -120.401
flat angles P-C4'-P energy: -56.647
tors. eta vs tors. theta energy: -95.409
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: 43
Temperature: 1.150000
Total energy: -1087.796022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.796022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.796022 (E_RNA)
where:
Base-Base interactions energy: -615.215
where: short stacking energy: -322.798
Base-Backbone interact. energy: 0.292
local terms energy: -472.873274
where:
bonds (distance) C4'-P energy: -93.649
bonds (distance) P-C4' energy: -113.585
flat angles C4'-P-C4' energy: -108.210
flat angles P-C4'-P energy: -77.241
tors. eta vs tors. theta energy: -80.189
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: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -907.421846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.421846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.421846 (E_RNA)
where:
Base-Base interactions energy: -489.204
where: short stacking energy: -271.994
Base-Backbone interact. energy: -1.466
local terms energy: -416.752020
where:
bonds (distance) C4'-P energy: -86.168
bonds (distance) P-C4' energy: -104.591
flat angles C4'-P-C4' energy: -120.276
flat angles P-C4'-P energy: -54.902
tors. eta vs tors. theta energy: -50.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -723.174999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.174999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.174999 (E_RNA)
where:
Base-Base interactions energy: -390.209
where: short stacking energy: -221.939
Base-Backbone interact. energy: 6.665
local terms energy: -339.630991
where:
bonds (distance) C4'-P energy: -86.404
bonds (distance) P-C4' energy: -90.871
flat angles C4'-P-C4' energy: -87.312
flat angles P-C4'-P energy: -53.832
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -489.631400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.631400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.631400 (E_RNA)
where:
Base-Base interactions energy: -169.367
where: short stacking energy: -143.026
Base-Backbone interact. energy: 0.547
local terms energy: -320.811699
where:
bonds (distance) C4'-P energy: -87.717
bonds (distance) P-C4' energy: -98.662
flat angles C4'-P-C4' energy: -89.326
flat angles P-C4'-P energy: -53.687
tors. eta vs tors. theta energy: 8.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -452.271487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.271487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.271487 (E_RNA)
where:
Base-Base interactions energy: -157.329
where: short stacking energy: -122.007
Base-Backbone interact. energy: -1.998
local terms energy: -292.943943
where:
bonds (distance) C4'-P energy: -88.689
bonds (distance) P-C4' energy: -90.834
flat angles C4'-P-C4' energy: -88.385
flat angles P-C4'-P energy: -47.341
tors. eta vs tors. theta energy: 22.304
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: 44
Temperature: 0.900000
Total energy: -1841.770691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.770691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.770691 (E_RNA)
where:
Base-Base interactions energy: -1256.255
where: short stacking energy: -535.860
Base-Backbone interact. energy: -2.024
local terms energy: -583.490923
where:
bonds (distance) C4'-P energy: -102.657
bonds (distance) P-C4' energy: -127.076
flat angles C4'-P-C4' energy: -121.570
flat angles P-C4'-P energy: -90.968
tors. eta vs tors. theta energy: -141.219
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: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1676.149340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.149340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.149340 (E_RNA)
where:
Base-Base interactions energy: -1093.846
where: short stacking energy: -495.928
Base-Backbone interact. energy: -1.769
local terms energy: -580.534336
where:
bonds (distance) C4'-P energy: -109.969
bonds (distance) P-C4' energy: -127.245
flat angles C4'-P-C4' energy: -125.210
flat angles P-C4'-P energy: -76.199
tors. eta vs tors. theta energy: -141.912
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: 2
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1555.106928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.106928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.106928 (E_RNA)
where:
Base-Base interactions energy: -1018.431
where: short stacking energy: -459.222
Base-Backbone interact. energy: -4.919
local terms energy: -531.757542
where:
bonds (distance) C4'-P energy: -107.844
bonds (distance) P-C4' energy: -118.222
flat angles C4'-P-C4' energy: -126.662
flat angles P-C4'-P energy: -65.999
tors. eta vs tors. theta energy: -113.031
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: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1509.152550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.152550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.152550 (E_RNA)
where:
Base-Base interactions energy: -969.900
where: short stacking energy: -480.986
Base-Backbone interact. energy: -1.292
local terms energy: -537.960476
where:
bonds (distance) C4'-P energy: -107.963
bonds (distance) P-C4' energy: -107.317
flat angles C4'-P-C4' energy: -124.690
flat angles P-C4'-P energy: -66.452
tors. eta vs tors. theta energy: -131.539
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: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1269.396150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.396150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.396150 (E_RNA)
where:
Base-Base interactions energy: -792.116
where: short stacking energy: -387.361
Base-Backbone interact. energy: 1.711
local terms energy: -478.991424
where:
bonds (distance) C4'-P energy: -87.650
bonds (distance) P-C4' energy: -116.429
flat angles C4'-P-C4' energy: -110.712
flat angles P-C4'-P energy: -75.647
tors. eta vs tors. theta energy: -88.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1158.685656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.685656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.685656 (E_RNA)
where:
Base-Base interactions energy: -707.384
where: short stacking energy: -345.653
Base-Backbone interact. energy: -3.226
local terms energy: -448.075982
where:
bonds (distance) C4'-P energy: -89.250
bonds (distance) P-C4' energy: -95.881
flat angles C4'-P-C4' energy: -98.559
flat angles P-C4'-P energy: -79.625
tors. eta vs tors. theta energy: -84.761
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: 7
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -889.259078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.259078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.259078 (E_RNA)
where:
Base-Base interactions energy: -482.832
where: short stacking energy: -262.442
Base-Backbone interact. energy: -3.203
local terms energy: -403.223444
where:
bonds (distance) C4'-P energy: -98.884
bonds (distance) P-C4' energy: -102.085
flat angles C4'-P-C4' energy: -105.497
flat angles P-C4'-P energy: -56.010
tors. eta vs tors. theta energy: -40.747
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: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -754.292730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.292730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.292730 (E_RNA)
where:
Base-Base interactions energy: -372.905
where: short stacking energy: -200.274
Base-Backbone interact. energy: -3.073
local terms energy: -378.314304
where:
bonds (distance) C4'-P energy: -83.609
bonds (distance) P-C4' energy: -107.400
flat angles C4'-P-C4' energy: -98.205
flat angles P-C4'-P energy: -59.249
tors. eta vs tors. theta energy: -29.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -506.179783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.179783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.179783 (E_RNA)
where:
Base-Base interactions energy: -219.289
where: short stacking energy: -163.781
Base-Backbone interact. energy: 0.605
local terms energy: -287.495866
where:
bonds (distance) C4'-P energy: -86.490
bonds (distance) P-C4' energy: -95.836
flat angles C4'-P-C4' energy: -57.152
flat angles P-C4'-P energy: -47.192
tors. eta vs tors. theta energy: -0.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -462.611362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.611362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.611362 (E_RNA)
where:
Base-Base interactions energy: -159.854
where: short stacking energy: -138.370
Base-Backbone interact. energy: 0.489
local terms energy: -303.246715
where:
bonds (distance) C4'-P energy: -79.481
bonds (distance) P-C4' energy: -100.174
flat angles C4'-P-C4' energy: -92.725
flat angles P-C4'-P energy: -47.013
tors. eta vs tors. theta energy: 16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1853.724704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.724704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.724704 (E_RNA)
where:
Base-Base interactions energy: -1254.211
where: short stacking energy: -575.716
Base-Backbone interact. energy: -2.183
local terms energy: -597.331251
where:
bonds (distance) C4'-P energy: -109.119
bonds (distance) P-C4' energy: -117.747
flat angles C4'-P-C4' energy: -122.305
flat angles P-C4'-P energy: -84.284
tors. eta vs tors. theta energy: -163.876
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: 3
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1700.664160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.664160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.664160 (E_RNA)
where:
Base-Base interactions energy: -1122.517
where: short stacking energy: -499.791
Base-Backbone interact. energy: -1.841
local terms energy: -576.305511
where:
bonds (distance) C4'-P energy: -110.867
bonds (distance) P-C4' energy: -107.353
flat angles C4'-P-C4' energy: -131.818
flat angles P-C4'-P energy: -82.419
tors. eta vs tors. theta energy: -143.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -1570.025107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.025107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.025107 (E_RNA)
where:
Base-Base interactions energy: -1064.122
where: short stacking energy: -451.182
Base-Backbone interact. energy: -0.686
local terms energy: -505.217411
where:
bonds (distance) C4'-P energy: -100.403
bonds (distance) P-C4' energy: -111.135
flat angles C4'-P-C4' energy: -110.202
flat angles P-C4'-P energy: -70.845
tors. eta vs tors. theta energy: -112.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1491.319428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.319428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.319428 (E_RNA)
where:
Base-Base interactions energy: -949.489
where: short stacking energy: -438.887
Base-Backbone interact. energy: -1.137
local terms energy: -540.693668
where:
bonds (distance) C4'-P energy: -111.107
bonds (distance) P-C4' energy: -116.806
flat angles C4'-P-C4' energy: -109.921
flat angles P-C4'-P energy: -73.372
tors. eta vs tors. theta energy: -129.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -1287.801077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.801077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.801077 (E_RNA)
where:
Base-Base interactions energy: -794.803
where: short stacking energy: -384.371
Base-Backbone interact. energy: -3.712
local terms energy: -489.286583
where:
bonds (distance) C4'-P energy: -122.685
bonds (distance) P-C4' energy: -111.916
flat angles C4'-P-C4' energy: -110.477
flat angles P-C4'-P energy: -63.952
tors. eta vs tors. theta energy: -80.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1103.039400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.039400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.039400 (E_RNA)
where:
Base-Base interactions energy: -659.599
where: short stacking energy: -324.789
Base-Backbone interact. energy: -1.862
local terms energy: -441.578633
where:
bonds (distance) C4'-P energy: -104.064
bonds (distance) P-C4' energy: -100.783
flat angles C4'-P-C4' energy: -91.949
flat angles P-C4'-P energy: -70.639
tors. eta vs tors. theta energy: -74.143
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: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -900.699858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.699858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.699858 (E_RNA)
where:
Base-Base interactions energy: -522.310
where: short stacking energy: -275.732
Base-Backbone interact. energy: 3.726
local terms energy: -382.115786
where:
bonds (distance) C4'-P energy: -86.664
bonds (distance) P-C4' energy: -95.824
flat angles C4'-P-C4' energy: -85.511
flat angles P-C4'-P energy: -60.324
tors. eta vs tors. theta energy: -53.793
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: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -826.891029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.891029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.891029 (E_RNA)
where:
Base-Base interactions energy: -446.949
where: short stacking energy: -243.336
Base-Backbone interact. energy: -2.539
local terms energy: -377.403818
where:
bonds (distance) C4'-P energy: -84.789
bonds (distance) P-C4' energy: -114.178
flat angles C4'-P-C4' energy: -89.717
flat angles P-C4'-P energy: -52.829
tors. eta vs tors. theta energy: -35.891
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: 4
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -516.269448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.269448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.269448 (E_RNA)
where:
Base-Base interactions energy: -197.964
where: short stacking energy: -142.718
Base-Backbone interact. energy: 0.609
local terms energy: -318.914237
where:
bonds (distance) C4'-P energy: -101.601
bonds (distance) P-C4' energy: -92.356
flat angles C4'-P-C4' energy: -85.413
flat angles P-C4'-P energy: -45.604
tors. eta vs tors. theta energy: 6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -590.463453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.463453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.463453 (E_RNA)
where:
Base-Base interactions energy: -250.529
where: short stacking energy: -141.666
Base-Backbone interact. energy: -0.094
local terms energy: -339.840359
where:
bonds (distance) C4'-P energy: -93.479
bonds (distance) P-C4' energy: -111.034
flat angles C4'-P-C4' energy: -69.250
flat angles P-C4'-P energy: -61.922
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1860.853077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.853077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.853077 (E_RNA)
where:
Base-Base interactions energy: -1269.399
where: short stacking energy: -558.156
Base-Backbone interact. energy: -1.960
local terms energy: -589.494059
where:
bonds (distance) C4'-P energy: -110.812
bonds (distance) P-C4' energy: -109.150
flat angles C4'-P-C4' energy: -133.304
flat angles P-C4'-P energy: -86.463
tors. eta vs tors. theta energy: -149.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -1682.472939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.472939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.472939 (E_RNA)
where:
Base-Base interactions energy: -1120.299
where: short stacking energy: -493.876
Base-Backbone interact. energy: -3.967
local terms energy: -558.206503
where:
bonds (distance) C4'-P energy: -109.113
bonds (distance) P-C4' energy: -108.075
flat angles C4'-P-C4' energy: -115.622
flat angles P-C4'-P energy: -78.739
tors. eta vs tors. theta energy: -146.658
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: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1581.957642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.957642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.957642 (E_RNA)
where:
Base-Base interactions energy: -1064.894
where: short stacking energy: -449.022
Base-Backbone interact. energy: -1.327
local terms energy: -515.736267
where:
bonds (distance) C4'-P energy: -102.783
bonds (distance) P-C4' energy: -107.625
flat angles C4'-P-C4' energy: -120.013
flat angles P-C4'-P energy: -82.919
tors. eta vs tors. theta energy: -102.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1459.603430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.603430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.603430 (E_RNA)
where:
Base-Base interactions energy: -909.297
where: short stacking energy: -443.826
Base-Backbone interact. energy: 0.169
local terms energy: -550.474967
where:
bonds (distance) C4'-P energy: -102.862
bonds (distance) P-C4' energy: -115.766
flat angles C4'-P-C4' energy: -120.104
flat angles P-C4'-P energy: -79.560
tors. eta vs tors. theta energy: -132.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1329.641938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.641938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.641938 (E_RNA)
where:
Base-Base interactions energy: -872.131
where: short stacking energy: -421.381
Base-Backbone interact. energy: -0.076
local terms energy: -457.435306
where:
bonds (distance) C4'-P energy: -94.566
bonds (distance) P-C4' energy: -99.406
flat angles C4'-P-C4' energy: -103.486
flat angles P-C4'-P energy: -65.444
tors. eta vs tors. theta energy: -94.535
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: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1117.464804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.464804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.464804 (E_RNA)
where:
Base-Base interactions energy: -674.507
where: short stacking energy: -310.848
Base-Backbone interact. energy: -0.625
local terms energy: -442.333693
where:
bonds (distance) C4'-P energy: -98.151
bonds (distance) P-C4' energy: -110.689
flat angles C4'-P-C4' energy: -90.736
flat angles P-C4'-P energy: -77.959
tors. eta vs tors. theta energy: -64.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -854.667674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.667674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.667674 (E_RNA)
where:
Base-Base interactions energy: -454.220
where: short stacking energy: -278.225
Base-Backbone interact. energy: 1.443
local terms energy: -401.890800
where:
bonds (distance) C4'-P energy: -98.426
bonds (distance) P-C4' energy: -99.954
flat angles C4'-P-C4' energy: -95.738
flat angles P-C4'-P energy: -65.425
tors. eta vs tors. theta energy: -42.348
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: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -907.900421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.900421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.900421 (E_RNA)
where:
Base-Base interactions energy: -552.509
where: short stacking energy: -258.394
Base-Backbone interact. energy: 0.749
local terms energy: -356.140315
where:
bonds (distance) C4'-P energy: -84.263
bonds (distance) P-C4' energy: -107.349
flat angles C4'-P-C4' energy: -98.448
flat angles P-C4'-P energy: -41.516
tors. eta vs tors. theta energy: -24.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -680.266303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.266303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.266303 (E_RNA)
where:
Base-Base interactions energy: -351.712
where: short stacking energy: -220.069
Base-Backbone interact. energy: -0.621
local terms energy: -327.932942
where:
bonds (distance) C4'-P energy: -97.845
bonds (distance) P-C4' energy: -86.488
flat angles C4'-P-C4' energy: -77.169
flat angles P-C4'-P energy: -45.894
tors. eta vs tors. theta energy: -20.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -454.226593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.226593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.226593 (E_RNA)
where:
Base-Base interactions energy: -144.089
where: short stacking energy: -124.589
Base-Backbone interact. energy: 2.063
local terms energy: -312.200505
where:
bonds (distance) C4'-P energy: -84.325
bonds (distance) P-C4' energy: -109.643
flat angles C4'-P-C4' energy: -80.337
flat angles P-C4'-P energy: -54.794
tors. eta vs tors. theta energy: 16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1886.146828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.146828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.146828 (E_RNA)
where:
Base-Base interactions energy: -1297.561
where: short stacking energy: -542.921
Base-Backbone interact. energy: -2.412
local terms energy: -586.174453
where:
bonds (distance) C4'-P energy: -106.182
bonds (distance) P-C4' energy: -126.169
flat angles C4'-P-C4' energy: -119.250
flat angles P-C4'-P energy: -82.717
tors. eta vs tors. theta energy: -151.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1706.899521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.899521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.899521 (E_RNA)
where:
Base-Base interactions energy: -1141.680
where: short stacking energy: -481.865
Base-Backbone interact. energy: 1.675
local terms energy: -566.895225
where:
bonds (distance) C4'-P energy: -115.637
bonds (distance) P-C4' energy: -114.580
flat angles C4'-P-C4' energy: -126.026
flat angles P-C4'-P energy: -75.892
tors. eta vs tors. theta energy: -134.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1553.513656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.513656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.513656 (E_RNA)
where:
Base-Base interactions energy: -1033.128
where: short stacking energy: -440.867
Base-Backbone interact. energy: -2.725
local terms energy: -517.660759
where:
bonds (distance) C4'-P energy: -107.913
bonds (distance) P-C4' energy: -111.603
flat angles C4'-P-C4' energy: -113.187
flat angles P-C4'-P energy: -74.665
tors. eta vs tors. theta energy: -110.293
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: 6
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1424.010441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.010441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.010441 (E_RNA)
where:
Base-Base interactions energy: -919.243
where: short stacking energy: -445.604
Base-Backbone interact. energy: -0.289
local terms energy: -504.478294
where:
bonds (distance) C4'-P energy: -105.768
bonds (distance) P-C4' energy: -101.279
flat angles C4'-P-C4' energy: -101.177
flat angles P-C4'-P energy: -79.527
tors. eta vs tors. theta energy: -116.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1350.907330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.907330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.907330 (E_RNA)
where:
Base-Base interactions energy: -849.770
where: short stacking energy: -410.319
Base-Backbone interact. energy: -0.971
local terms energy: -500.165862
where:
bonds (distance) C4'-P energy: -98.702
bonds (distance) P-C4' energy: -106.714
flat angles C4'-P-C4' energy: -122.325
flat angles P-C4'-P energy: -63.322
tors. eta vs tors. theta energy: -109.102
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: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1162.901459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.901459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.901459 (E_RNA)
where:
Base-Base interactions energy: -703.463
where: short stacking energy: -350.656
Base-Backbone interact. energy: -1.047
local terms energy: -458.392067
where:
bonds (distance) C4'-P energy: -86.562
bonds (distance) P-C4' energy: -107.803
flat angles C4'-P-C4' energy: -101.902
flat angles P-C4'-P energy: -80.761
tors. eta vs tors. theta energy: -81.364
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: 7, replica: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -924.955720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.955720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.955720 (E_RNA)
where:
Base-Base interactions energy: -547.359
where: short stacking energy: -278.245
Base-Backbone interact. energy: 4.264
local terms energy: -381.860904
where:
bonds (distance) C4'-P energy: -96.467
bonds (distance) P-C4' energy: -98.663
flat angles C4'-P-C4' energy: -86.908
flat angles P-C4'-P energy: -49.974
tors. eta vs tors. theta energy: -49.849
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: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -899.711309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.711309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.711309 (E_RNA)
where:
Base-Base interactions energy: -514.049
where: short stacking energy: -267.572
Base-Backbone interact. energy: 5.459
local terms energy: -391.121902
where:
bonds (distance) C4'-P energy: -95.586
bonds (distance) P-C4' energy: -102.672
flat angles C4'-P-C4' energy: -85.445
flat angles P-C4'-P energy: -51.199
tors. eta vs tors. theta energy: -56.219
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: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -701.556193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.556193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.556193 (E_RNA)
where:
Base-Base interactions energy: -361.967
where: short stacking energy: -199.331
Base-Backbone interact. energy: -1.083
local terms energy: -338.506281
where:
bonds (distance) C4'-P energy: -92.279
bonds (distance) P-C4' energy: -105.370
flat angles C4'-P-C4' energy: -88.375
flat angles P-C4'-P energy: -43.125
tors. eta vs tors. theta energy: -9.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -471.478741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.478741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.478741 (E_RNA)
where:
Base-Base interactions energy: -165.374
where: short stacking energy: -142.490
Base-Backbone interact. energy: 0.060
local terms energy: -306.164247
where:
bonds (distance) C4'-P energy: -83.412
bonds (distance) P-C4' energy: -88.606
flat angles C4'-P-C4' energy: -80.198
flat angles P-C4'-P energy: -65.614
tors. eta vs tors. theta energy: 11.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1843.993435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.993435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.993435 (E_RNA)
where:
Base-Base interactions energy: -1245.209
where: short stacking energy: -540.099
Base-Backbone interact. energy: -2.010
local terms energy: -596.774430
where:
bonds (distance) C4'-P energy: -102.500
bonds (distance) P-C4' energy: -128.754
flat angles C4'-P-C4' energy: -132.663
flat angles P-C4'-P energy: -78.766
tors. eta vs tors. theta energy: -154.091
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: 3
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1724.483026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.483026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.483026 (E_RNA)
where:
Base-Base interactions energy: -1157.322
where: short stacking energy: -497.782
Base-Backbone interact. energy: -6.064
local terms energy: -561.097111
where:
bonds (distance) C4'-P energy: -109.939
bonds (distance) P-C4' energy: -114.363
flat angles C4'-P-C4' energy: -110.831
flat angles P-C4'-P energy: -83.912
tors. eta vs tors. theta energy: -142.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1617.568286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.568286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.568286 (E_RNA)
where:
Base-Base interactions energy: -1086.409
where: short stacking energy: -435.744
Base-Backbone interact. energy: -5.090
local terms energy: -526.069522
where:
bonds (distance) C4'-P energy: -103.938
bonds (distance) P-C4' energy: -107.412
flat angles C4'-P-C4' energy: -121.912
flat angles P-C4'-P energy: -80.640
tors. eta vs tors. theta energy: -112.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1512.096707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.096707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.096707 (E_RNA)
where:
Base-Base interactions energy: -978.475
where: short stacking energy: -471.901
Base-Backbone interact. energy: -1.974
local terms energy: -531.647587
where:
bonds (distance) C4'-P energy: -86.494
bonds (distance) P-C4' energy: -97.465
flat angles C4'-P-C4' energy: -122.815
flat angles P-C4'-P energy: -81.019
tors. eta vs tors. theta energy: -143.855
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: 8
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1313.644316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.644316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.644316 (E_RNA)
where:
Base-Base interactions energy: -844.881
where: short stacking energy: -398.482
Base-Backbone interact. energy: -1.733
local terms energy: -467.029971
where:
bonds (distance) C4'-P energy: -108.144
bonds (distance) P-C4' energy: -101.585
flat angles C4'-P-C4' energy: -98.832
flat angles P-C4'-P energy: -60.873
tors. eta vs tors. theta energy: -97.596
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: 48
Temperature: 1.150000
Total energy: -1150.087104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.087104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.087104 (E_RNA)
where:
Base-Base interactions energy: -686.459
where: short stacking energy: -321.707
Base-Backbone interact. energy: -0.935
local terms energy: -462.693122
where:
bonds (distance) C4'-P energy: -98.676
bonds (distance) P-C4' energy: -118.628
flat angles C4'-P-C4' energy: -108.054
flat angles P-C4'-P energy: -68.393
tors. eta vs tors. theta energy: -68.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -829.140695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.140695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.140695 (E_RNA)
where:
Base-Base interactions energy: -435.657
where: short stacking energy: -237.785
Base-Backbone interact. energy: -0.965
local terms energy: -392.518540
where:
bonds (distance) C4'-P energy: -89.368
bonds (distance) P-C4' energy: -112.375
flat angles C4'-P-C4' energy: -110.595
flat angles P-C4'-P energy: -54.811
tors. eta vs tors. theta energy: -25.369
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: 7
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -945.557874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.557874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.557874 (E_RNA)
where:
Base-Base interactions energy: -572.188
where: short stacking energy: -299.347
Base-Backbone interact. energy: -5.232
local terms energy: -368.137450
where:
bonds (distance) C4'-P energy: -98.438
bonds (distance) P-C4' energy: -91.554
flat angles C4'-P-C4' energy: -107.242
flat angles P-C4'-P energy: -32.040
tors. eta vs tors. theta energy: -38.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -697.993957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.993957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.993957 (E_RNA)
where:
Base-Base interactions energy: -324.712
where: short stacking energy: -184.828
Base-Backbone interact. energy: -1.292
local terms energy: -371.989439
where:
bonds (distance) C4'-P energy: -89.335
bonds (distance) P-C4' energy: -102.760
flat angles C4'-P-C4' energy: -91.470
flat angles P-C4'-P energy: -62.108
tors. eta vs tors. theta energy: -26.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -522.520419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.520419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.520419 (E_RNA)
where:
Base-Base interactions energy: -233.742
where: short stacking energy: -172.002
Base-Backbone interact. energy: 0.791
local terms energy: -289.569045
where:
bonds (distance) C4'-P energy: -88.045
bonds (distance) P-C4' energy: -93.421
flat angles C4'-P-C4' energy: -77.139
flat angles P-C4'-P energy: -50.376
tors. eta vs tors. theta energy: 19.413
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: 49
Temperature: 0.900000
Total energy: -1829.013684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.013684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.013684 (E_RNA)
where:
Base-Base interactions energy: -1217.004
where: short stacking energy: -536.904
Base-Backbone interact. energy: -2.522
local terms energy: -609.487055
where:
bonds (distance) C4'-P energy: -116.186
bonds (distance) P-C4' energy: -137.696
flat angles C4'-P-C4' energy: -131.771
flat angles P-C4'-P energy: -84.111
tors. eta vs tors. theta energy: -139.723
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: 3
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1677.132674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.132674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.132674 (E_RNA)
where:
Base-Base interactions energy: -1115.597
where: short stacking energy: -475.953
Base-Backbone interact. energy: -1.028
local terms energy: -560.508320
where:
bonds (distance) C4'-P energy: -105.407
bonds (distance) P-C4' energy: -122.318
flat angles C4'-P-C4' energy: -124.868
flat angles P-C4'-P energy: -85.225
tors. eta vs tors. theta energy: -122.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1606.226507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.226507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.226507 (E_RNA)
where:
Base-Base interactions energy: -1061.760
where: short stacking energy: -454.613
Base-Backbone interact. energy: 2.871
local terms energy: -547.337888
where:
bonds (distance) C4'-P energy: -113.801
bonds (distance) P-C4' energy: -119.411
flat angles C4'-P-C4' energy: -116.731
flat angles P-C4'-P energy: -86.927
tors. eta vs tors. theta energy: -110.467
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: 6
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1530.176919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.176919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.176919 (E_RNA)
where:
Base-Base interactions energy: -982.258
where: short stacking energy: -445.420
Base-Backbone interact. energy: -1.713
local terms energy: -546.206322
where:
bonds (distance) C4'-P energy: -107.595
bonds (distance) P-C4' energy: -119.233
flat angles C4'-P-C4' energy: -119.795
flat angles P-C4'-P energy: -79.556
tors. eta vs tors. theta energy: -120.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1308.980713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.980713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.980713 (E_RNA)
where:
Base-Base interactions energy: -807.988
where: short stacking energy: -385.830
Base-Backbone interact. energy: -4.695
local terms energy: -496.297762
where:
bonds (distance) C4'-P energy: -112.890
bonds (distance) P-C4' energy: -110.056
flat angles C4'-P-C4' energy: -103.334
flat angles P-C4'-P energy: -70.879
tors. eta vs tors. theta energy: -99.139
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: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1213.081230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.081230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.081230 (E_RNA)
where:
Base-Base interactions energy: -773.075
where: short stacking energy: -341.838
Base-Backbone interact. energy: 1.265
local terms energy: -441.271118
where:
bonds (distance) C4'-P energy: -95.890
bonds (distance) P-C4' energy: -90.754
flat angles C4'-P-C4' energy: -113.959
flat angles P-C4'-P energy: -53.828
tors. eta vs tors. theta energy: -86.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -960.382072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.382072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.382072 (E_RNA)
where:
Base-Base interactions energy: -574.640
where: short stacking energy: -285.954
Base-Backbone interact. energy: 2.453
local terms energy: -388.195377
where:
bonds (distance) C4'-P energy: -88.265
bonds (distance) P-C4' energy: -108.637
flat angles C4'-P-C4' energy: -101.028
flat angles P-C4'-P energy: -54.996
tors. eta vs tors. theta energy: -35.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -949.067061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.067061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.067061 (E_RNA)
where:
Base-Base interactions energy: -531.896
where: short stacking energy: -272.192
Base-Backbone interact. energy: -0.655
local terms energy: -416.516225
where:
bonds (distance) C4'-P energy: -104.281
bonds (distance) P-C4' energy: -114.333
flat angles C4'-P-C4' energy: -93.587
flat angles P-C4'-P energy: -62.570
tors. eta vs tors. theta energy: -41.745
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: 10
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -708.825489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.825489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.825489 (E_RNA)
where:
Base-Base interactions energy: -334.571
where: short stacking energy: -217.268
Base-Backbone interact. energy: -1.258
local terms energy: -372.996491
where:
bonds (distance) C4'-P energy: -92.512
bonds (distance) P-C4' energy: -109.670
flat angles C4'-P-C4' energy: -82.157
flat angles P-C4'-P energy: -62.933
tors. eta vs tors. theta energy: -25.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -523.213281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.213281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.213281 (E_RNA)
where:
Base-Base interactions energy: -220.040
where: short stacking energy: -155.335
Base-Backbone interact. energy: 1.240
local terms energy: -304.413173
where:
bonds (distance) C4'-P energy: -84.330
bonds (distance) P-C4' energy: -105.869
flat angles C4'-P-C4' energy: -86.779
flat angles P-C4'-P energy: -47.298
tors. eta vs tors. theta energy: 19.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1835.521102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.521102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.521102 (E_RNA)
where:
Base-Base interactions energy: -1249.159
where: short stacking energy: -538.917
Base-Backbone interact. energy: -0.307
local terms energy: -586.055031
where:
bonds (distance) C4'-P energy: -120.037
bonds (distance) P-C4' energy: -118.247
flat angles C4'-P-C4' energy: -112.221
flat angles P-C4'-P energy: -89.226
tors. eta vs tors. theta energy: -146.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1684.712245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.712245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.712245 (E_RNA)
where:
Base-Base interactions energy: -1111.908
where: short stacking energy: -494.937
Base-Backbone interact. energy: -4.651
local terms energy: -568.153225
where:
bonds (distance) C4'-P energy: -104.070
bonds (distance) P-C4' energy: -115.345
flat angles C4'-P-C4' energy: -117.564
flat angles P-C4'-P energy: -90.604
tors. eta vs tors. theta energy: -140.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -1636.326562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.326562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.326562 (E_RNA)
where:
Base-Base interactions energy: -1128.861
where: short stacking energy: -488.501
Base-Backbone interact. energy: 1.198
local terms energy: -508.663273
where:
bonds (distance) C4'-P energy: -104.197
bonds (distance) P-C4' energy: -108.567
flat angles C4'-P-C4' energy: -110.290
flat angles P-C4'-P energy: -63.781
tors. eta vs tors. theta energy: -121.829
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: 6
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1502.595893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.595893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.595893 (E_RNA)
where:
Base-Base interactions energy: -971.942
where: short stacking energy: -474.926
Base-Backbone interact. energy: -3.915
local terms energy: -526.738943
where:
bonds (distance) C4'-P energy: -99.397
bonds (distance) P-C4' energy: -113.682
flat angles C4'-P-C4' energy: -101.448
flat angles P-C4'-P energy: -74.942
tors. eta vs tors. theta energy: -137.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1306.055115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.055115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.055115 (E_RNA)
where:
Base-Base interactions energy: -825.953
where: short stacking energy: -404.732
Base-Backbone interact. energy: -4.000
local terms energy: -476.101857
where:
bonds (distance) C4'-P energy: -96.068
bonds (distance) P-C4' energy: -118.002
flat angles C4'-P-C4' energy: -104.767
flat angles P-C4'-P energy: -61.381
tors. eta vs tors. theta energy: -95.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1191.137543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.137543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.137543 (E_RNA)
where:
Base-Base interactions energy: -712.520
where: short stacking energy: -350.849
Base-Backbone interact. energy: -4.222
local terms energy: -474.396076
where:
bonds (distance) C4'-P energy: -106.851
bonds (distance) P-C4' energy: -108.835
flat angles C4'-P-C4' energy: -115.331
flat angles P-C4'-P energy: -64.122
tors. eta vs tors. theta energy: -79.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -951.000043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.000043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.000043 (E_RNA)
where:
Base-Base interactions energy: -550.917
where: short stacking energy: -269.288
Base-Backbone interact. energy: -0.050
local terms energy: -400.032903
where:
bonds (distance) C4'-P energy: -94.649
bonds (distance) P-C4' energy: -103.376
flat angles C4'-P-C4' energy: -109.021
flat angles P-C4'-P energy: -62.400
tors. eta vs tors. theta energy: -30.586
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: 7
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -898.309138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.309138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.309138 (E_RNA)
where:
Base-Base interactions energy: -471.645
where: short stacking energy: -246.655
Base-Backbone interact. energy: -1.262
local terms energy: -425.402413
where:
bonds (distance) C4'-P energy: -111.611
bonds (distance) P-C4' energy: -106.803
flat angles C4'-P-C4' energy: -92.967
flat angles P-C4'-P energy: -71.108
tors. eta vs tors. theta energy: -42.914
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: 10
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -720.049880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.049880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.049880 (E_RNA)
where:
Base-Base interactions energy: -371.967
where: short stacking energy: -187.769
Base-Backbone interact. energy: -2.965
local terms energy: -345.116930
where:
bonds (distance) C4'-P energy: -87.354
bonds (distance) P-C4' energy: -102.116
flat angles C4'-P-C4' energy: -100.909
flat angles P-C4'-P energy: -51.799
tors. eta vs tors. theta energy: -2.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -477.595368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.595368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.595368 (E_RNA)
where:
Base-Base interactions energy: -173.744
where: short stacking energy: -140.790
Base-Backbone interact. energy: 2.137
local terms energy: -305.988485
where:
bonds (distance) C4'-P energy: -109.084
bonds (distance) P-C4' energy: -90.125
flat angles C4'-P-C4' energy: -81.389
flat angles P-C4'-P energy: -44.876
tors. eta vs tors. theta energy: 19.486
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: 51
Temperature: 0.900000
Total energy: -1871.953648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.953648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.953648 (E_RNA)
where:
Base-Base interactions energy: -1260.094
where: short stacking energy: -546.975
Base-Backbone interact. energy: 2.809
local terms energy: -614.668636
where:
bonds (distance) C4'-P energy: -125.091
bonds (distance) P-C4' energy: -127.477
flat angles C4'-P-C4' energy: -134.839
flat angles P-C4'-P energy: -76.273
tors. eta vs tors. theta energy: -150.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1672.732311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.732311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.732311 (E_RNA)
where:
Base-Base interactions energy: -1130.369
where: short stacking energy: -502.794
Base-Backbone interact. energy: -3.630
local terms energy: -538.733596
where:
bonds (distance) C4'-P energy: -118.967
bonds (distance) P-C4' energy: -107.678
flat angles C4'-P-C4' energy: -112.105
flat angles P-C4'-P energy: -66.046
tors. eta vs tors. theta energy: -133.938
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: 3, replica: 2
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1599.648131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.648131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.648131 (E_RNA)
where:
Base-Base interactions energy: -1062.365
where: short stacking energy: -450.513
Base-Backbone interact. energy: -2.380
local terms energy: -534.903175
where:
bonds (distance) C4'-P energy: -114.804
bonds (distance) P-C4' energy: -114.395
flat angles C4'-P-C4' energy: -108.652
flat angles P-C4'-P energy: -75.810
tors. eta vs tors. theta energy: -121.242
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: 6
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1513.186110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.186110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.186110 (E_RNA)
where:
Base-Base interactions energy: -957.250
where: short stacking energy: -448.096
Base-Backbone interact. energy: -0.509
local terms energy: -555.427280
where:
bonds (distance) C4'-P energy: -119.298
bonds (distance) P-C4' energy: -109.758
flat angles C4'-P-C4' energy: -116.517
flat angles P-C4'-P energy: -83.145
tors. eta vs tors. theta energy: -126.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1265.675610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.675610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.675610 (E_RNA)
where:
Base-Base interactions energy: -838.241
where: short stacking energy: -369.464
Base-Backbone interact. energy: 1.156
local terms energy: -428.591009
where:
bonds (distance) C4'-P energy: -100.156
bonds (distance) P-C4' energy: -90.737
flat angles C4'-P-C4' energy: -103.174
flat angles P-C4'-P energy: -53.051
tors. eta vs tors. theta energy: -81.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1130.528309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.528309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.528309 (E_RNA)
where:
Base-Base interactions energy: -664.955
where: short stacking energy: -334.571
Base-Backbone interact. energy: -1.142
local terms energy: -464.431707
where:
bonds (distance) C4'-P energy: -105.527
bonds (distance) P-C4' energy: -111.156
flat angles C4'-P-C4' energy: -108.999
flat angles P-C4'-P energy: -60.488
tors. eta vs tors. theta energy: -78.261
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: 1
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -898.755496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.755496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.755496 (E_RNA)
where:
Base-Base interactions energy: -523.253
where: short stacking energy: -262.828
Base-Backbone interact. energy: -1.859
local terms energy: -373.643529
where:
bonds (distance) C4'-P energy: -88.512
bonds (distance) P-C4' energy: -85.690
flat angles C4'-P-C4' energy: -97.751
flat angles P-C4'-P energy: -66.487
tors. eta vs tors. theta energy: -35.204
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: 7
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1013.043178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.043178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.043178 (E_RNA)
where:
Base-Base interactions energy: -598.507
where: short stacking energy: -252.783
Base-Backbone interact. energy: 7.891
local terms energy: -422.427158
where:
bonds (distance) C4'-P energy: -102.372
bonds (distance) P-C4' energy: -106.285
flat angles C4'-P-C4' energy: -95.816
flat angles P-C4'-P energy: -72.855
tors. eta vs tors. theta energy: -45.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -688.278085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.278085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.278085 (E_RNA)
where:
Base-Base interactions energy: -350.486
where: short stacking energy: -196.084
Base-Backbone interact. energy: -1.693
local terms energy: -336.099109
where:
bonds (distance) C4'-P energy: -99.695
bonds (distance) P-C4' energy: -96.413
flat angles C4'-P-C4' energy: -88.634
flat angles P-C4'-P energy: -31.672
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -449.660819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.660819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.660819 (E_RNA)
where:
Base-Base interactions energy: -174.378
where: short stacking energy: -150.532
Base-Backbone interact. energy: 3.279
local terms energy: -278.561517
where:
bonds (distance) C4'-P energy: -88.808
bonds (distance) P-C4' energy: -97.551
flat angles C4'-P-C4' energy: -75.680
flat angles P-C4'-P energy: -34.148
tors. eta vs tors. theta energy: 17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1873.438996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.438996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.438996 (E_RNA)
where:
Base-Base interactions energy: -1265.997
where: short stacking energy: -532.393
Base-Backbone interact. energy: -2.230
local terms energy: -605.212506
where:
bonds (distance) C4'-P energy: -114.709
bonds (distance) P-C4' energy: -113.670
flat angles C4'-P-C4' energy: -125.161
flat angles P-C4'-P energy: -85.047
tors. eta vs tors. theta energy: -166.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1684.767108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.767108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.767108 (E_RNA)
where:
Base-Base interactions energy: -1124.621
where: short stacking energy: -493.202
Base-Backbone interact. energy: -2.447
local terms energy: -557.699150
where:
bonds (distance) C4'-P energy: -96.934
bonds (distance) P-C4' energy: -127.444
flat angles C4'-P-C4' energy: -124.404
flat angles P-C4'-P energy: -69.451
tors. eta vs tors. theta energy: -139.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1595.390139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.390139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.390139 (E_RNA)
where:
Base-Base interactions energy: -1053.045
where: short stacking energy: -478.732
Base-Backbone interact. energy: -0.912
local terms energy: -541.433217
where:
bonds (distance) C4'-P energy: -101.103
bonds (distance) P-C4' energy: -97.959
flat angles C4'-P-C4' energy: -116.159
flat angles P-C4'-P energy: -89.868
tors. eta vs tors. theta energy: -136.344
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: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1526.201517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.201517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.201517 (E_RNA)
where:
Base-Base interactions energy: -978.940
where: short stacking energy: -458.016
Base-Backbone interact. energy: -0.251
local terms energy: -547.010670
where:
bonds (distance) C4'-P energy: -104.714
bonds (distance) P-C4' energy: -103.043
flat angles C4'-P-C4' energy: -123.603
flat angles P-C4'-P energy: -77.452
tors. eta vs tors. theta energy: -138.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1293.460251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.460251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.460251 (E_RNA)
where:
Base-Base interactions energy: -833.758
where: short stacking energy: -368.255
Base-Backbone interact. energy: -0.606
local terms energy: -459.096546
where:
bonds (distance) C4'-P energy: -89.138
bonds (distance) P-C4' energy: -105.287
flat angles C4'-P-C4' energy: -121.820
flat angles P-C4'-P energy: -67.716
tors. eta vs tors. theta energy: -75.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1175.849796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.849796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.849796 (E_RNA)
where:
Base-Base interactions energy: -728.851
where: short stacking energy: -353.933
Base-Backbone interact. energy: 0.644
local terms energy: -447.642778
where:
bonds (distance) C4'-P energy: -85.659
bonds (distance) P-C4' energy: -96.284
flat angles C4'-P-C4' energy: -108.570
flat angles P-C4'-P energy: -73.373
tors. eta vs tors. theta energy: -83.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1106.754685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.754685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.754685 (E_RNA)
where:
Base-Base interactions energy: -675.308
where: short stacking energy: -304.766
Base-Backbone interact. energy: -1.836
local terms energy: -429.610725
where:
bonds (distance) C4'-P energy: -105.168
bonds (distance) P-C4' energy: -116.131
flat angles C4'-P-C4' energy: -102.768
flat angles P-C4'-P energy: -48.657
tors. eta vs tors. theta energy: -56.887
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: 1
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -813.282119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.282119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.282119 (E_RNA)
where:
Base-Base interactions energy: -435.220
where: short stacking energy: -213.754
Base-Backbone interact. energy: -0.700
local terms energy: -377.362239
where:
bonds (distance) C4'-P energy: -100.567
bonds (distance) P-C4' energy: -111.335
flat angles C4'-P-C4' energy: -88.286
flat angles P-C4'-P energy: -64.653
tors. eta vs tors. theta energy: -12.522
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: 9, replica: 10
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -717.462927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.462927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.462927 (E_RNA)
where:
Base-Base interactions energy: -381.883
where: short stacking energy: -208.062
Base-Backbone interact. energy: -2.946
local terms energy: -332.633713
where:
bonds (distance) C4'-P energy: -96.410
bonds (distance) P-C4' energy: -104.312
flat angles C4'-P-C4' energy: -72.931
flat angles P-C4'-P energy: -47.308
tors. eta vs tors. theta energy: -11.672
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: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -471.160781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.160781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.160781 (E_RNA)
where:
Base-Base interactions energy: -187.484
where: short stacking energy: -131.601
Base-Backbone interact. energy: 17.732
local terms energy: -301.409598
where:
bonds (distance) C4'-P energy: -83.657
bonds (distance) P-C4' energy: -105.387
flat angles C4'-P-C4' energy: -92.469
flat angles P-C4'-P energy: -47.523
tors. eta vs tors. theta energy: 27.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1850.634830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.634830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.634830 (E_RNA)
where:
Base-Base interactions energy: -1220.404
where: short stacking energy: -540.319
Base-Backbone interact. energy: -3.838
local terms energy: -626.392848
where:
bonds (distance) C4'-P energy: -133.900
bonds (distance) P-C4' energy: -124.644
flat angles C4'-P-C4' energy: -125.896
flat angles P-C4'-P energy: -88.804
tors. eta vs tors. theta energy: -153.149
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: 2, replica: 3
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1685.347573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.347573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.347573 (E_RNA)
where:
Base-Base interactions energy: -1110.890
where: short stacking energy: -482.642
Base-Backbone interact. energy: 0.765
local terms energy: -575.222875
where:
bonds (distance) C4'-P energy: -123.706
bonds (distance) P-C4' energy: -111.934
flat angles C4'-P-C4' energy: -126.424
flat angles P-C4'-P energy: -83.048
tors. eta vs tors. theta energy: -130.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1564.093330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.093330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.093330 (E_RNA)
where:
Base-Base interactions energy: -1055.698
where: short stacking energy: -450.386
Base-Backbone interact. energy: 0.220
local terms energy: -508.616162
where:
bonds (distance) C4'-P energy: -106.312
bonds (distance) P-C4' energy: -111.209
flat angles C4'-P-C4' energy: -107.681
flat angles P-C4'-P energy: -73.984
tors. eta vs tors. theta energy: -109.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1527.711415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.711415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.711415 (E_RNA)
where:
Base-Base interactions energy: -990.683
where: short stacking energy: -467.799
Base-Backbone interact. energy: -2.398
local terms energy: -534.629853
where:
bonds (distance) C4'-P energy: -95.570
bonds (distance) P-C4' energy: -103.905
flat angles C4'-P-C4' energy: -119.676
flat angles P-C4'-P energy: -76.302
tors. eta vs tors. theta energy: -139.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1304.378628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.378628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.378628 (E_RNA)
where:
Base-Base interactions energy: -828.596
where: short stacking energy: -396.174
Base-Backbone interact. energy: -1.537
local terms energy: -474.245949
where:
bonds (distance) C4'-P energy: -106.560
bonds (distance) P-C4' energy: -110.403
flat angles C4'-P-C4' energy: -97.599
flat angles P-C4'-P energy: -75.620
tors. eta vs tors. theta energy: -84.063
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: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1193.096760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.096760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.096760 (E_RNA)
where:
Base-Base interactions energy: -758.464
where: short stacking energy: -352.944
Base-Backbone interact. energy: 3.742
local terms energy: -438.374477
where:
bonds (distance) C4'-P energy: -85.805
bonds (distance) P-C4' energy: -93.517
flat angles C4'-P-C4' energy: -101.561
flat angles P-C4'-P energy: -80.277
tors. eta vs tors. theta energy: -77.213
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: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1143.603634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.603634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.603634 (E_RNA)
where:
Base-Base interactions energy: -719.459
where: short stacking energy: -314.432
Base-Backbone interact. energy: 6.110
local terms energy: -430.255374
where:
bonds (distance) C4'-P energy: -98.544
bonds (distance) P-C4' energy: -97.137
flat angles C4'-P-C4' energy: -101.254
flat angles P-C4'-P energy: -67.076
tors. eta vs tors. theta energy: -66.243
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: 1
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -790.291630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.291630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.291630 (E_RNA)
where:
Base-Base interactions energy: -423.377
where: short stacking energy: -233.908
Base-Backbone interact. energy: 2.207
local terms energy: -369.121981
where:
bonds (distance) C4'-P energy: -96.990
bonds (distance) P-C4' energy: -99.543
flat angles C4'-P-C4' energy: -90.949
flat angles P-C4'-P energy: -54.407
tors. eta vs tors. theta energy: -27.232
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: 10
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -761.562492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.562492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.562492 (E_RNA)
where:
Base-Base interactions energy: -416.201
where: short stacking energy: -225.296
Base-Backbone interact. energy: -1.354
local terms energy: -344.007477
where:
bonds (distance) C4'-P energy: -95.616
bonds (distance) P-C4' energy: -96.496
flat angles C4'-P-C4' energy: -77.613
flat angles P-C4'-P energy: -48.603
tors. eta vs tors. theta energy: -25.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -501.206841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.206841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.206841 (E_RNA)
where:
Base-Base interactions energy: -193.498
where: short stacking energy: -134.331
Base-Backbone interact. energy: -0.017
local terms energy: -307.692438
where:
bonds (distance) C4'-P energy: -84.211
bonds (distance) P-C4' energy: -86.326
flat angles C4'-P-C4' energy: -71.629
flat angles P-C4'-P energy: -53.990
tors. eta vs tors. theta energy: -11.537
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: 9
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1893.150661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.150661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.150661 (E_RNA)
where:
Base-Base interactions energy: -1267.290
where: short stacking energy: -568.709
Base-Backbone interact. energy: -2.291
local terms energy: -623.568870
where:
bonds (distance) C4'-P energy: -116.485
bonds (distance) P-C4' energy: -128.934
flat angles C4'-P-C4' energy: -133.414
flat angles P-C4'-P energy: -92.194
tors. eta vs tors. theta energy: -152.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1706.929325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.929325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.929325 (E_RNA)
where:
Base-Base interactions energy: -1158.125
where: short stacking energy: -501.658
Base-Backbone interact. energy: -1.603
local terms energy: -547.200898
where:
bonds (distance) C4'-P energy: -108.981
bonds (distance) P-C4' energy: -110.428
flat angles C4'-P-C4' energy: -123.132
flat angles P-C4'-P energy: -69.303
tors. eta vs tors. theta energy: -135.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1587.656758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.656758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.656758 (E_RNA)
where:
Base-Base interactions energy: -1058.180
where: short stacking energy: -444.603
Base-Backbone interact. energy: 0.022
local terms energy: -529.498468
where:
bonds (distance) C4'-P energy: -108.651
bonds (distance) P-C4' energy: -113.372
flat angles C4'-P-C4' energy: -117.057
flat angles P-C4'-P energy: -82.003
tors. eta vs tors. theta energy: -108.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1581.559698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.559698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.559698 (E_RNA)
where:
Base-Base interactions energy: -1053.350
where: short stacking energy: -476.567
Base-Backbone interact. energy: -0.585
local terms energy: -527.624098
where:
bonds (distance) C4'-P energy: -120.703
bonds (distance) P-C4' energy: -107.558
flat angles C4'-P-C4' energy: -104.945
flat angles P-C4'-P energy: -71.689
tors. eta vs tors. theta energy: -122.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1259.443223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.443223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.443223 (E_RNA)
where:
Base-Base interactions energy: -800.332
where: short stacking energy: -364.645
Base-Backbone interact. energy: -1.462
local terms energy: -457.649678
where:
bonds (distance) C4'-P energy: -96.145
bonds (distance) P-C4' energy: -96.686
flat angles C4'-P-C4' energy: -111.778
flat angles P-C4'-P energy: -60.877
tors. eta vs tors. theta energy: -92.164
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: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1183.822259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.822259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.822259 (E_RNA)
where:
Base-Base interactions energy: -720.196
where: short stacking energy: -342.141
Base-Backbone interact. energy: 0.179
local terms energy: -463.805281
where:
bonds (distance) C4'-P energy: -97.755
bonds (distance) P-C4' energy: -122.202
flat angles C4'-P-C4' energy: -109.375
flat angles P-C4'-P energy: -65.510
tors. eta vs tors. theta energy: -68.963
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: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1139.213312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.213312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.213312 (E_RNA)
where:
Base-Base interactions energy: -718.796
where: short stacking energy: -355.076
Base-Backbone interact. energy: 1.460
local terms energy: -421.877761
where:
bonds (distance) C4'-P energy: -106.099
bonds (distance) P-C4' energy: -92.445
flat angles C4'-P-C4' energy: -100.170
flat angles P-C4'-P energy: -63.105
tors. eta vs tors. theta energy: -60.058
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: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -796.029133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.029133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.029133 (E_RNA)
where:
Base-Base interactions energy: -443.675
where: short stacking energy: -210.750
Base-Backbone interact. energy: -0.834
local terms energy: -351.520507
where:
bonds (distance) C4'-P energy: -74.320
bonds (distance) P-C4' energy: -102.249
flat angles C4'-P-C4' energy: -103.965
flat angles P-C4'-P energy: -62.855
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -759.214886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.214886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.214886 (E_RNA)
where:
Base-Base interactions energy: -403.774
where: short stacking energy: -209.694
Base-Backbone interact. energy: 1.082
local terms energy: -356.523106
where:
bonds (distance) C4'-P energy: -107.558
bonds (distance) P-C4' energy: -95.152
flat angles C4'-P-C4' energy: -73.923
flat angles P-C4'-P energy: -58.779
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -491.781802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.781802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.781802 (E_RNA)
where:
Base-Base interactions energy: -192.225
where: short stacking energy: -112.406
Base-Backbone interact. energy: -1.778
local terms energy: -297.778543
where:
bonds (distance) C4'-P energy: -107.284
bonds (distance) P-C4' energy: -98.286
flat angles C4'-P-C4' energy: -79.307
flat angles P-C4'-P energy: -31.650
tors. eta vs tors. theta energy: 18.749
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: 9
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1865.383303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.383303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.383303 (E_RNA)
where:
Base-Base interactions energy: -1255.950
where: short stacking energy: -561.122
Base-Backbone interact. energy: -2.934
local terms energy: -606.499365
where:
bonds (distance) C4'-P energy: -116.783
bonds (distance) P-C4' energy: -117.195
flat angles C4'-P-C4' energy: -128.063
flat angles P-C4'-P energy: -83.610
tors. eta vs tors. theta energy: -160.849
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: 3
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1693.697528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.697528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.697528 (E_RNA)
where:
Base-Base interactions energy: -1091.286
where: short stacking energy: -490.152
Base-Backbone interact. energy: -2.646
local terms energy: -599.765956
where:
bonds (distance) C4'-P energy: -122.929
bonds (distance) P-C4' energy: -124.372
flat angles C4'-P-C4' energy: -128.709
flat angles P-C4'-P energy: -85.654
tors. eta vs tors. theta energy: -138.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1593.981542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.981542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.981542 (E_RNA)
where:
Base-Base interactions energy: -1062.656
where: short stacking energy: -435.227
Base-Backbone interact. energy: -1.096
local terms energy: -530.229274
where:
bonds (distance) C4'-P energy: -108.357
bonds (distance) P-C4' energy: -100.281
flat angles C4'-P-C4' energy: -111.039
flat angles P-C4'-P energy: -91.420
tors. eta vs tors. theta energy: -119.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1571.182155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.182155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.182155 (E_RNA)
where:
Base-Base interactions energy: -1025.881
where: short stacking energy: -455.691
Base-Backbone interact. energy: 1.423
local terms energy: -546.723632
where:
bonds (distance) C4'-P energy: -110.452
bonds (distance) P-C4' energy: -117.309
flat angles C4'-P-C4' energy: -105.305
flat angles P-C4'-P energy: -81.795
tors. eta vs tors. theta energy: -131.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1356.444925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.444925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.444925 (E_RNA)
where:
Base-Base interactions energy: -850.081
where: short stacking energy: -397.023
Base-Backbone interact. energy: -3.019
local terms energy: -503.344866
where:
bonds (distance) C4'-P energy: -100.680
bonds (distance) P-C4' energy: -104.838
flat angles C4'-P-C4' energy: -116.914
flat angles P-C4'-P energy: -73.370
tors. eta vs tors. theta energy: -107.543
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: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1168.972672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.972672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.972672 (E_RNA)
where:
Base-Base interactions energy: -691.614
where: short stacking energy: -341.571
Base-Backbone interact. energy: -0.378
local terms energy: -476.981050
where:
bonds (distance) C4'-P energy: -101.935
bonds (distance) P-C4' energy: -112.239
flat angles C4'-P-C4' energy: -113.290
flat angles P-C4'-P energy: -62.417
tors. eta vs tors. theta energy: -87.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1122.880413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1122.880413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1122.880413 (E_RNA)
where:
Base-Base interactions energy: -703.801
where: short stacking energy: -315.573
Base-Backbone interact. energy: 0.604
local terms energy: -419.683048
where:
bonds (distance) C4'-P energy: -106.777
bonds (distance) P-C4' energy: -95.526
flat angles C4'-P-C4' energy: -109.005
flat angles P-C4'-P energy: -66.173
tors. eta vs tors. theta energy: -42.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -847.260553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.260553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.260553 (E_RNA)
where:
Base-Base interactions energy: -466.337
where: short stacking energy: -253.215
Base-Backbone interact. energy: -0.348
local terms energy: -380.575733
where:
bonds (distance) C4'-P energy: -109.455
bonds (distance) P-C4' energy: -99.049
flat angles C4'-P-C4' energy: -99.650
flat angles P-C4'-P energy: -42.835
tors. eta vs tors. theta energy: -29.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -734.622357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.622357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.622357 (E_RNA)
where:
Base-Base interactions energy: -399.434
where: short stacking energy: -215.723
Base-Backbone interact. energy: 0.103
local terms energy: -335.292034
where:
bonds (distance) C4'-P energy: -93.612
bonds (distance) P-C4' energy: -92.617
flat angles C4'-P-C4' energy: -92.282
flat angles P-C4'-P energy: -45.457
tors. eta vs tors. theta energy: -11.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -452.695155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.695155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.695155 (E_RNA)
where:
Base-Base interactions energy: -157.798
where: short stacking energy: -119.180
Base-Backbone interact. energy: 4.297
local terms energy: -299.194161
where:
bonds (distance) C4'-P energy: -93.904
bonds (distance) P-C4' energy: -89.954
flat angles C4'-P-C4' energy: -72.342
flat angles P-C4'-P energy: -58.690
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: 1, replica: 9
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1842.921273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.921273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.921273 (E_RNA)
where:
Base-Base interactions energy: -1248.069
where: short stacking energy: -534.888
Base-Backbone interact. energy: -1.942
local terms energy: -592.909638
where:
bonds (distance) C4'-P energy: -106.413
bonds (distance) P-C4' energy: -110.382
flat angles C4'-P-C4' energy: -130.564
flat angles P-C4'-P energy: -88.858
tors. eta vs tors. theta energy: -156.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1709.895998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.895998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.895998 (E_RNA)
where:
Base-Base interactions energy: -1132.536
where: short stacking energy: -507.311
Base-Backbone interact. energy: -4.444
local terms energy: -572.915518
where:
bonds (distance) C4'-P energy: -103.292
bonds (distance) P-C4' energy: -122.296
flat angles C4'-P-C4' energy: -130.122
flat angles P-C4'-P energy: -71.493
tors. eta vs tors. theta energy: -145.713
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: 3, replica: 2
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -1594.012421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.012421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.012421 (E_RNA)
where:
Base-Base interactions energy: -1052.475
where: short stacking energy: -453.728
Base-Backbone interact. energy: -1.747
local terms energy: -539.790528
where:
bonds (distance) C4'-P energy: -101.020
bonds (distance) P-C4' energy: -116.225
flat angles C4'-P-C4' energy: -125.832
flat angles P-C4'-P energy: -67.170
tors. eta vs tors. theta energy: -129.544
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: 6
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1552.211560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.211560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.211560 (E_RNA)
where:
Base-Base interactions energy: -1031.757
where: short stacking energy: -439.362
Base-Backbone interact. energy: -0.929
local terms energy: -519.524822
where:
bonds (distance) C4'-P energy: -100.347
bonds (distance) P-C4' energy: -94.422
flat angles C4'-P-C4' energy: -130.006
flat angles P-C4'-P energy: -64.168
tors. eta vs tors. theta energy: -130.582
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: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1346.742476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.742476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.742476 (E_RNA)
where:
Base-Base interactions energy: -860.876
where: short stacking energy: -399.934
Base-Backbone interact. energy: 1.277
local terms energy: -487.144179
where:
bonds (distance) C4'-P energy: -103.531
bonds (distance) P-C4' energy: -101.097
flat angles C4'-P-C4' energy: -104.976
flat angles P-C4'-P energy: -72.002
tors. eta vs tors. theta energy: -105.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1221.182494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.182494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.182494 (E_RNA)
where:
Base-Base interactions energy: -761.515
where: short stacking energy: -365.303
Base-Backbone interact. energy: -1.518
local terms energy: -458.149456
where:
bonds (distance) C4'-P energy: -109.838
bonds (distance) P-C4' energy: -77.772
flat angles C4'-P-C4' energy: -117.445
flat angles P-C4'-P energy: -71.364
tors. eta vs tors. theta energy: -81.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -956.822447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.822447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.822447 (E_RNA)
where:
Base-Base interactions energy: -556.783
where: short stacking energy: -273.640
Base-Backbone interact. energy: -2.067
local terms energy: -397.971862
where:
bonds (distance) C4'-P energy: -108.479
bonds (distance) P-C4' energy: -102.154
flat angles C4'-P-C4' energy: -81.685
flat angles P-C4'-P energy: -65.590
tors. eta vs tors. theta energy: -40.065
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: 8, replica: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1051.331928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.331928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.331928 (E_RNA)
where:
Base-Base interactions energy: -639.187
where: short stacking energy: -298.217
Base-Backbone interact. energy: -0.759
local terms energy: -411.386304
where:
bonds (distance) C4'-P energy: -114.806
bonds (distance) P-C4' energy: -87.707
flat angles C4'-P-C4' energy: -102.833
flat angles P-C4'-P energy: -54.835
tors. eta vs tors. theta energy: -51.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -710.829011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.829011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.829011 (E_RNA)
where:
Base-Base interactions energy: -389.138
where: short stacking energy: -208.715
Base-Backbone interact. energy: -1.104
local terms energy: -320.587569
where:
bonds (distance) C4'-P energy: -90.210
bonds (distance) P-C4' energy: -88.665
flat angles C4'-P-C4' energy: -83.627
flat angles P-C4'-P energy: -44.762
tors. eta vs tors. theta energy: -13.323
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: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -449.124114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.124114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.124114 (E_RNA)
where:
Base-Base interactions energy: -175.932
where: short stacking energy: -140.234
Base-Backbone interact. energy: 9.076
local terms energy: -282.268329
where:
bonds (distance) C4'-P energy: -96.159
bonds (distance) P-C4' energy: -91.042
flat angles C4'-P-C4' energy: -51.930
flat angles P-C4'-P energy: -52.282
tors. eta vs tors. theta energy: 9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1906.794168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.794168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.794168 (E_RNA)
where:
Base-Base interactions energy: -1278.303
where: short stacking energy: -546.889
Base-Backbone interact. energy: -4.872
local terms energy: -623.618587
where:
bonds (distance) C4'-P energy: -120.500
bonds (distance) P-C4' energy: -126.878
flat angles C4'-P-C4' energy: -132.977
flat angles P-C4'-P energy: -89.454
tors. eta vs tors. theta energy: -153.808
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: 3
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1716.607222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.607222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.607222 (E_RNA)
where:
Base-Base interactions energy: -1148.644
where: short stacking energy: -501.318
Base-Backbone interact. energy: -3.705
local terms energy: -564.258124
where:
bonds (distance) C4'-P energy: -109.447
bonds (distance) P-C4' energy: -118.928
flat angles C4'-P-C4' energy: -112.930
flat angles P-C4'-P energy: -77.722
tors. eta vs tors. theta energy: -145.231
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: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1607.773465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.773465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.773465 (E_RNA)
where:
Base-Base interactions energy: -1077.270
where: short stacking energy: -459.998
Base-Backbone interact. energy: -2.508
local terms energy: -527.995924
where:
bonds (distance) C4'-P energy: -105.850
bonds (distance) P-C4' energy: -123.957
flat angles C4'-P-C4' energy: -110.627
flat angles P-C4'-P energy: -69.583
tors. eta vs tors. theta energy: -117.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1545.177526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.177526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.177526 (E_RNA)
where:
Base-Base interactions energy: -1031.251
where: short stacking energy: -469.745
Base-Backbone interact. energy: -3.955
local terms energy: -509.972277
where:
bonds (distance) C4'-P energy: -93.892
bonds (distance) P-C4' energy: -110.205
flat angles C4'-P-C4' energy: -105.407
flat angles P-C4'-P energy: -72.982
tors. eta vs tors. theta energy: -127.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1387.071234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.071234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.071234 (E_RNA)
where:
Base-Base interactions energy: -914.339
where: short stacking energy: -455.073
Base-Backbone interact. energy: 1.592
local terms energy: -474.323418
where:
bonds (distance) C4'-P energy: -93.288
bonds (distance) P-C4' energy: -98.812
flat angles C4'-P-C4' energy: -114.258
flat angles P-C4'-P energy: -60.835
tors. eta vs tors. theta energy: -107.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1257.020197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1257.020197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1257.020197 (E_RNA)
where:
Base-Base interactions energy: -801.074
where: short stacking energy: -376.289
Base-Backbone interact. energy: -0.871
local terms energy: -455.075112
where:
bonds (distance) C4'-P energy: -85.751
bonds (distance) P-C4' energy: -104.052
flat angles C4'-P-C4' energy: -109.622
flat angles P-C4'-P energy: -72.727
tors. eta vs tors. theta energy: -82.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -934.186906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.186906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.186906 (E_RNA)
where:
Base-Base interactions energy: -529.907
where: short stacking energy: -232.100
Base-Backbone interact. energy: -1.679
local terms energy: -402.601289
where:
bonds (distance) C4'-P energy: -109.276
bonds (distance) P-C4' energy: -94.750
flat angles C4'-P-C4' energy: -92.570
flat angles P-C4'-P energy: -63.424
tors. eta vs tors. theta energy: -42.582
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: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1008.508752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.508752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.508752 (E_RNA)
where:
Base-Base interactions energy: -649.317
where: short stacking energy: -277.010
Base-Backbone interact. energy: 5.181
local terms energy: -364.373169
where:
bonds (distance) C4'-P energy: -104.223
bonds (distance) P-C4' energy: -103.181
flat angles C4'-P-C4' energy: -80.976
flat angles P-C4'-P energy: -52.069
tors. eta vs tors. theta energy: -23.925
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: 10
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -661.478226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.478226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.478226 (E_RNA)
where:
Base-Base interactions energy: -317.246
where: short stacking energy: -209.654
Base-Backbone interact. energy: 4.042
local terms energy: -348.274448
where:
bonds (distance) C4'-P energy: -93.618
bonds (distance) P-C4' energy: -101.104
flat angles C4'-P-C4' energy: -83.726
flat angles P-C4'-P energy: -51.606
tors. eta vs tors. theta energy: -18.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -465.437677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.437677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.437677 (E_RNA)
where:
Base-Base interactions energy: -166.388
where: short stacking energy: -114.190
Base-Backbone interact. energy: 3.465
local terms energy: -302.514939
where:
bonds (distance) C4'-P energy: -96.841
bonds (distance) P-C4' energy: -91.700
flat angles C4'-P-C4' energy: -76.120
flat angles P-C4'-P energy: -43.467
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: 1, replica: 9
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1896.993091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.993091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.993091 (E_RNA)
where:
Base-Base interactions energy: -1291.822
where: short stacking energy: -558.573
Base-Backbone interact. energy: -6.928
local terms energy: -598.242743
where:
bonds (distance) C4'-P energy: -108.776
bonds (distance) P-C4' energy: -109.830
flat angles C4'-P-C4' energy: -128.753
flat angles P-C4'-P energy: -94.726
tors. eta vs tors. theta energy: -156.156
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: 3
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -1697.081263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.081263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.081263 (E_RNA)
where:
Base-Base interactions energy: -1125.205
where: short stacking energy: -470.746
Base-Backbone interact. energy: -2.797
local terms energy: -569.079453
where:
bonds (distance) C4'-P energy: -115.859
bonds (distance) P-C4' energy: -110.751
flat angles C4'-P-C4' energy: -121.498
flat angles P-C4'-P energy: -82.038
tors. eta vs tors. theta energy: -138.933
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: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1628.492599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.492599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.492599 (E_RNA)
where:
Base-Base interactions energy: -1092.118
where: short stacking energy: -447.791
Base-Backbone interact. energy: -5.834
local terms energy: -530.540537
where:
bonds (distance) C4'-P energy: -94.895
bonds (distance) P-C4' energy: -116.221
flat angles C4'-P-C4' energy: -125.199
flat angles P-C4'-P energy: -72.567
tors. eta vs tors. theta energy: -121.658
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: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1562.026533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.026533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.026533 (E_RNA)
where:
Base-Base interactions energy: -1039.108
where: short stacking energy: -489.047
Base-Backbone interact. energy: 0.204
local terms energy: -523.122455
where:
bonds (distance) C4'-P energy: -88.156
bonds (distance) P-C4' energy: -97.008
flat angles C4'-P-C4' energy: -123.541
flat angles P-C4'-P energy: -75.823
tors. eta vs tors. theta energy: -138.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1386.490644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.490644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.490644 (E_RNA)
where:
Base-Base interactions energy: -922.348
where: short stacking energy: -462.572
Base-Backbone interact. energy: -0.408
local terms energy: -463.734147
where:
bonds (distance) C4'-P energy: -84.232
bonds (distance) P-C4' energy: -102.373
flat angles C4'-P-C4' energy: -117.714
flat angles P-C4'-P energy: -51.233
tors. eta vs tors. theta energy: -108.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1237.084532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.084532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.084532 (E_RNA)
where:
Base-Base interactions energy: -791.148
where: short stacking energy: -369.876
Base-Backbone interact. energy: -3.539
local terms energy: -442.397193
where:
bonds (distance) C4'-P energy: -94.577
bonds (distance) P-C4' energy: -101.608
flat angles C4'-P-C4' energy: -101.873
flat angles P-C4'-P energy: -63.246
tors. eta vs tors. theta energy: -81.092
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: 7
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1098.617207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.617207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.617207 (E_RNA)
where:
Base-Base interactions energy: -671.627
where: short stacking energy: -328.330
Base-Backbone interact. energy: 0.649
local terms energy: -427.639826
where:
bonds (distance) C4'-P energy: -78.376
bonds (distance) P-C4' energy: -105.235
flat angles C4'-P-C4' energy: -100.305
flat angles P-C4'-P energy: -84.234
tors. eta vs tors. theta energy: -59.489
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: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -901.338960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.338960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.338960 (E_RNA)
where:
Base-Base interactions energy: -534.897
where: short stacking energy: -278.894
Base-Backbone interact. energy: 1.111
local terms energy: -367.552686
where:
bonds (distance) C4'-P energy: -97.608
bonds (distance) P-C4' energy: -96.020
flat angles C4'-P-C4' energy: -93.794
flat angles P-C4'-P energy: -45.885
tors. eta vs tors. theta energy: -34.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -675.125636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.125636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.125636 (E_RNA)
where:
Base-Base interactions energy: -320.175
where: short stacking energy: -202.030
Base-Backbone interact. energy: 3.999
local terms energy: -358.949309
where:
bonds (distance) C4'-P energy: -103.515
bonds (distance) P-C4' energy: -94.335
flat angles C4'-P-C4' energy: -77.414
flat angles P-C4'-P energy: -61.053
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -489.960252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.960252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.960252 (E_RNA)
where:
Base-Base interactions energy: -224.546
where: short stacking energy: -147.030
Base-Backbone interact. energy: -1.717
local terms energy: -263.696676
where:
bonds (distance) C4'-P energy: -73.542
bonds (distance) P-C4' energy: -89.108
flat angles C4'-P-C4' energy: -57.120
flat angles P-C4'-P energy: -53.180
tors. eta vs tors. theta energy: 9.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1919.597268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.597268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.597268 (E_RNA)
where:
Base-Base interactions energy: -1314.244
where: short stacking energy: -572.277
Base-Backbone interact. energy: -2.498
local terms energy: -602.854646
where:
bonds (distance) C4'-P energy: -113.050
bonds (distance) P-C4' energy: -117.411
flat angles C4'-P-C4' energy: -127.005
flat angles P-C4'-P energy: -82.577
tors. eta vs tors. theta energy: -162.810
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: 3
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1721.140807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.140807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.140807 (E_RNA)
where:
Base-Base interactions energy: -1135.125
where: short stacking energy: -500.185
Base-Backbone interact. energy: -4.234
local terms energy: -581.782189
where:
bonds (distance) C4'-P energy: -112.145
bonds (distance) P-C4' energy: -123.268
flat angles C4'-P-C4' energy: -116.688
flat angles P-C4'-P energy: -78.879
tors. eta vs tors. theta energy: -150.803
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: 59
Temperature: 1.000000
Total energy: -1612.693174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.693174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.693174 (E_RNA)
where:
Base-Base interactions energy: -1064.993
where: short stacking energy: -444.029
Base-Backbone interact. energy: 2.127
local terms energy: -549.827127
where:
bonds (distance) C4'-P energy: -104.992
bonds (distance) P-C4' energy: -120.636
flat angles C4'-P-C4' energy: -123.201
flat angles P-C4'-P energy: -74.947
tors. eta vs tors. theta energy: -126.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -1551.596032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.596032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.596032 (E_RNA)
where:
Base-Base interactions energy: -1002.227
where: short stacking energy: -477.633
Base-Backbone interact. energy: -1.302
local terms energy: -548.067469
where:
bonds (distance) C4'-P energy: -99.013
bonds (distance) P-C4' energy: -109.085
flat angles C4'-P-C4' energy: -109.355
flat angles P-C4'-P energy: -82.365
tors. eta vs tors. theta energy: -148.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1415.746474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.746474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.746474 (E_RNA)
where:
Base-Base interactions energy: -934.966
where: short stacking energy: -426.349
Base-Backbone interact. energy: -2.241
local terms energy: -478.539664
where:
bonds (distance) C4'-P energy: -103.134
bonds (distance) P-C4' energy: -87.403
flat angles C4'-P-C4' energy: -117.756
flat angles P-C4'-P energy: -63.090
tors. eta vs tors. theta energy: -107.157
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: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1265.357516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.357516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.357516 (E_RNA)
where:
Base-Base interactions energy: -808.293
where: short stacking energy: -355.102
Base-Backbone interact. energy: 1.496
local terms energy: -458.560567
where:
bonds (distance) C4'-P energy: -97.214
bonds (distance) P-C4' energy: -103.809
flat angles C4'-P-C4' energy: -116.448
flat angles P-C4'-P energy: -69.571
tors. eta vs tors. theta energy: -71.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1108.662910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.662910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.662910 (E_RNA)
where:
Base-Base interactions energy: -706.284
where: short stacking energy: -327.364
Base-Backbone interact. energy: -1.952
local terms energy: -400.427599
where:
bonds (distance) C4'-P energy: -99.977
bonds (distance) P-C4' energy: -95.210
flat angles C4'-P-C4' energy: -99.508
flat angles P-C4'-P energy: -51.114
tors. eta vs tors. theta energy: -54.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -904.184964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.184964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.184964 (E_RNA)
where:
Base-Base interactions energy: -524.656
where: short stacking energy: -285.373
Base-Backbone interact. energy: 2.601
local terms energy: -382.129750
where:
bonds (distance) C4'-P energy: -90.345
bonds (distance) P-C4' energy: -101.348
flat angles C4'-P-C4' energy: -102.652
flat angles P-C4'-P energy: -33.916
tors. eta vs tors. theta energy: -53.868
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: 10
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -649.403676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.403676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.403676 (E_RNA)
where:
Base-Base interactions energy: -311.994
where: short stacking energy: -165.135
Base-Backbone interact. energy: 1.635
local terms energy: -339.044689
where:
bonds (distance) C4'-P energy: -101.277
bonds (distance) P-C4' energy: -102.558
flat angles C4'-P-C4' energy: -73.922
flat angles P-C4'-P energy: -58.793
tors. eta vs tors. theta energy: -2.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -508.124574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.124574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.124574 (E_RNA)
where:
Base-Base interactions energy: -211.574
where: short stacking energy: -138.875
Base-Backbone interact. energy: 1.981
local terms energy: -298.532168
where:
bonds (distance) C4'-P energy: -108.122
bonds (distance) P-C4' energy: -95.124
flat angles C4'-P-C4' energy: -68.596
flat angles P-C4'-P energy: -48.386
tors. eta vs tors. theta energy: 21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1910.339502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.339502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.339502 (E_RNA)
where:
Base-Base interactions energy: -1281.480
where: short stacking energy: -559.265
Base-Backbone interact. energy: -2.329
local terms energy: -626.530827
where:
bonds (distance) C4'-P energy: -119.096
bonds (distance) P-C4' energy: -108.715
flat angles C4'-P-C4' energy: -144.256
flat angles P-C4'-P energy: -85.340
tors. eta vs tors. theta energy: -169.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1711.878569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.878569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.878569 (E_RNA)
where:
Base-Base interactions energy: -1134.858
where: short stacking energy: -494.540
Base-Backbone interact. energy: -6.778
local terms energy: -570.242216
where:
bonds (distance) C4'-P energy: -118.783
bonds (distance) P-C4' energy: -115.588
flat angles C4'-P-C4' energy: -120.377
flat angles P-C4'-P energy: -79.666
tors. eta vs tors. theta energy: -135.828
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: 3, replica: 6
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1631.359992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.359992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.359992 (E_RNA)
where:
Base-Base interactions energy: -1090.058
where: short stacking energy: -498.134
Base-Backbone interact. energy: 0.596
local terms energy: -541.897485
where:
bonds (distance) C4'-P energy: -81.229
bonds (distance) P-C4' energy: -110.197
flat angles C4'-P-C4' energy: -114.247
flat angles P-C4'-P energy: -92.652
tors. eta vs tors. theta energy: -143.574
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: 4, replica: 2
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1591.182110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.182110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.182110 (E_RNA)
where:
Base-Base interactions energy: -1054.874
where: short stacking energy: -460.636
Base-Backbone interact. energy: -0.490
local terms energy: -535.818331
where:
bonds (distance) C4'-P energy: -115.881
bonds (distance) P-C4' energy: -111.000
flat angles C4'-P-C4' energy: -108.617
flat angles P-C4'-P energy: -81.447
tors. eta vs tors. theta energy: -118.875
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: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1389.790493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.790493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.790493 (E_RNA)
where:
Base-Base interactions energy: -913.554
where: short stacking energy: -407.367
Base-Backbone interact. energy: -1.191
local terms energy: -475.045177
where:
bonds (distance) C4'-P energy: -104.388
bonds (distance) P-C4' energy: -92.525
flat angles C4'-P-C4' energy: -103.063
flat angles P-C4'-P energy: -64.306
tors. eta vs tors. theta energy: -110.763
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: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1288.453518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.453518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.453518 (E_RNA)
where:
Base-Base interactions energy: -838.801
where: short stacking energy: -395.335
Base-Backbone interact. energy: 0.712
local terms energy: -450.365069
where:
bonds (distance) C4'-P energy: -96.660
bonds (distance) P-C4' energy: -84.196
flat angles C4'-P-C4' energy: -104.299
flat angles P-C4'-P energy: -73.249
tors. eta vs tors. theta energy: -91.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1218.579327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.579327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.579327 (E_RNA)
where:
Base-Base interactions energy: -766.510
where: short stacking energy: -314.337
Base-Backbone interact. energy: 2.073
local terms energy: -454.142846
where:
bonds (distance) C4'-P energy: -96.244
bonds (distance) P-C4' energy: -111.778
flat angles C4'-P-C4' energy: -107.975
flat angles P-C4'-P energy: -77.762
tors. eta vs tors. theta energy: -60.384
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: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -876.890302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.890302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.890302 (E_RNA)
where:
Base-Base interactions energy: -474.173
where: short stacking energy: -251.211
Base-Backbone interact. energy: -3.230
local terms energy: -399.487361
where:
bonds (distance) C4'-P energy: -98.573
bonds (distance) P-C4' energy: -101.294
flat angles C4'-P-C4' energy: -93.981
flat angles P-C4'-P energy: -69.431
tors. eta vs tors. theta energy: -36.209
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: 9, replica: 10
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -691.368896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.368896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.368896 (E_RNA)
where:
Base-Base interactions energy: -334.109
where: short stacking energy: -173.795
Base-Backbone interact. energy: 3.043
local terms energy: -360.302781
where:
bonds (distance) C4'-P energy: -110.579
bonds (distance) P-C4' energy: -102.163
flat angles C4'-P-C4' energy: -92.299
flat angles P-C4'-P energy: -59.337
tors. eta vs tors. theta energy: 4.075
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: 4
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -436.543532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.543532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.543532 (E_RNA)
where:
Base-Base interactions energy: -150.605
where: short stacking energy: -108.208
Base-Backbone interact. energy: -2.250
local terms energy: -283.688076
where:
bonds (distance) C4'-P energy: -103.349
bonds (distance) P-C4' energy: -87.380
flat angles C4'-P-C4' energy: -66.700
flat angles P-C4'-P energy: -55.378
tors. eta vs tors. theta energy: 29.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1884.413643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.413643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.413643 (E_RNA)
where:
Base-Base interactions energy: -1277.400
where: short stacking energy: -554.197
Base-Backbone interact. energy: -0.766
local terms energy: -606.247657
where:
bonds (distance) C4'-P energy: -116.621
bonds (distance) P-C4' energy: -117.441
flat angles C4'-P-C4' energy: -126.817
flat angles P-C4'-P energy: -77.423
tors. eta vs tors. theta energy: -167.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1713.753701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.753701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.753701 (E_RNA)
where:
Base-Base interactions energy: -1131.156
where: short stacking energy: -480.081
Base-Backbone interact. energy: -4.390
local terms energy: -578.207502
where:
bonds (distance) C4'-P energy: -112.139
bonds (distance) P-C4' energy: -124.181
flat angles C4'-P-C4' energy: -127.399
flat angles P-C4'-P energy: -83.657
tors. eta vs tors. theta energy: -130.833
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: 6
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1634.994407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.994407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.994407 (E_RNA)
where:
Base-Base interactions energy: -1066.531
where: short stacking energy: -484.156
Base-Backbone interact. energy: -1.223
local terms energy: -567.240421
where:
bonds (distance) C4'-P energy: -120.770
bonds (distance) P-C4' energy: -111.808
flat angles C4'-P-C4' energy: -115.620
flat angles P-C4'-P energy: -77.598
tors. eta vs tors. theta energy: -141.444
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: 4, replica: 2
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1534.553100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.553100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.553100 (E_RNA)
where:
Base-Base interactions energy: -1015.872
where: short stacking energy: -424.611
Base-Backbone interact. energy: -3.521
local terms energy: -515.160661
where:
bonds (distance) C4'-P energy: -114.870
bonds (distance) P-C4' energy: -111.154
flat angles C4'-P-C4' energy: -110.139
flat angles P-C4'-P energy: -68.433
tors. eta vs tors. theta energy: -110.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1445.451948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.451948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.451948 (E_RNA)
where:
Base-Base interactions energy: -963.636
where: short stacking energy: -427.761
Base-Backbone interact. energy: -3.859
local terms energy: -477.956615
where:
bonds (distance) C4'-P energy: -98.746
bonds (distance) P-C4' energy: -106.739
flat angles C4'-P-C4' energy: -107.666
flat angles P-C4'-P energy: -58.349
tors. eta vs tors. theta energy: -106.457
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: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1301.569227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.569227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.569227 (E_RNA)
where:
Base-Base interactions energy: -837.015
where: short stacking energy: -387.652
Base-Backbone interact. energy: -0.875
local terms energy: -463.679253
where:
bonds (distance) C4'-P energy: -87.225
bonds (distance) P-C4' energy: -115.749
flat angles C4'-P-C4' energy: -104.022
flat angles P-C4'-P energy: -60.414
tors. eta vs tors. theta energy: -96.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1179.910509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.910509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.910509 (E_RNA)
where:
Base-Base interactions energy: -759.358
where: short stacking energy: -337.702
Base-Backbone interact. energy: -5.065
local terms energy: -415.487701
where:
bonds (distance) C4'-P energy: -83.921
bonds (distance) P-C4' energy: -95.637
flat angles C4'-P-C4' energy: -102.652
flat angles P-C4'-P energy: -67.570
tors. eta vs tors. theta energy: -65.707
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: 1
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -849.477855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.477855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.477855 (E_RNA)
where:
Base-Base interactions energy: -480.155
where: short stacking energy: -249.140
Base-Backbone interact. energy: -0.566
local terms energy: -368.756298
where:
bonds (distance) C4'-P energy: -94.841
bonds (distance) P-C4' energy: -99.734
flat angles C4'-P-C4' energy: -86.361
flat angles P-C4'-P energy: -52.358
tors. eta vs tors. theta energy: -35.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -676.824766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.824766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.824766 (E_RNA)
where:
Base-Base interactions energy: -339.824
where: short stacking energy: -188.976
Base-Backbone interact. energy: -2.326
local terms energy: -334.674194
where:
bonds (distance) C4'-P energy: -79.346
bonds (distance) P-C4' energy: -95.499
flat angles C4'-P-C4' energy: -95.826
flat angles P-C4'-P energy: -53.763
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -472.320312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.320312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.320312 (E_RNA)
where:
Base-Base interactions energy: -170.970
where: short stacking energy: -160.584
Base-Backbone interact. energy: 1.520
local terms energy: -302.870242
where:
bonds (distance) C4'-P energy: -80.308
bonds (distance) P-C4' energy: -94.067
flat angles C4'-P-C4' energy: -95.122
flat angles P-C4'-P energy: -52.972
tors. eta vs tors. theta energy: 19.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1890.917079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.917079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.917079 (E_RNA)
where:
Base-Base interactions energy: -1288.228
where: short stacking energy: -574.436
Base-Backbone interact. energy: -3.575
local terms energy: -599.114354
where:
bonds (distance) C4'-P energy: -113.183
bonds (distance) P-C4' energy: -119.147
flat angles C4'-P-C4' energy: -135.031
flat angles P-C4'-P energy: -75.878
tors. eta vs tors. theta energy: -155.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1711.648085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.648085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.648085 (E_RNA)
where:
Base-Base interactions energy: -1134.530
where: short stacking energy: -523.817
Base-Backbone interact. energy: 1.026
local terms energy: -578.143941
where:
bonds (distance) C4'-P energy: -126.269
bonds (distance) P-C4' energy: -104.004
flat angles C4'-P-C4' energy: -129.551
flat angles P-C4'-P energy: -76.702
tors. eta vs tors. theta energy: -141.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1652.120375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.120375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.120375 (E_RNA)
where:
Base-Base interactions energy: -1088.046
where: short stacking energy: -484.184
Base-Backbone interact. energy: 1.380
local terms energy: -565.454270
where:
bonds (distance) C4'-P energy: -97.144
bonds (distance) P-C4' energy: -117.964
flat angles C4'-P-C4' energy: -122.795
flat angles P-C4'-P energy: -84.526
tors. eta vs tors. theta energy: -143.024
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: 2
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -1528.501282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.501282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.501282 (E_RNA)
where:
Base-Base interactions energy: -1008.550
where: short stacking energy: -423.822
Base-Backbone interact. energy: -4.971
local terms energy: -514.981051
where:
bonds (distance) C4'-P energy: -105.392
bonds (distance) P-C4' energy: -111.287
flat angles C4'-P-C4' energy: -119.125
flat angles P-C4'-P energy: -74.877
tors. eta vs tors. theta energy: -104.299
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: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1424.928825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.928825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.928825 (E_RNA)
where:
Base-Base interactions energy: -921.361
where: short stacking energy: -404.984
Base-Backbone interact. energy: -2.284
local terms energy: -501.284195
where:
bonds (distance) C4'-P energy: -93.996
bonds (distance) P-C4' energy: -102.863
flat angles C4'-P-C4' energy: -137.875
flat angles P-C4'-P energy: -68.334
tors. eta vs tors. theta energy: -98.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1310.600053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.600053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.600053 (E_RNA)
where:
Base-Base interactions energy: -826.715
where: short stacking energy: -392.729
Base-Backbone interact. energy: -3.597
local terms energy: -480.288085
where:
bonds (distance) C4'-P energy: -106.967
bonds (distance) P-C4' energy: -100.356
flat angles C4'-P-C4' energy: -112.417
flat angles P-C4'-P energy: -61.669
tors. eta vs tors. theta energy: -98.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1177.179781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.179781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.179781 (E_RNA)
where:
Base-Base interactions energy: -785.958
where: short stacking energy: -334.195
Base-Backbone interact. energy: -1.221
local terms energy: -390.000824
where:
bonds (distance) C4'-P energy: -93.203
bonds (distance) P-C4' energy: -79.237
flat angles C4'-P-C4' energy: -100.626
flat angles P-C4'-P energy: -56.210
tors. eta vs tors. theta energy: -60.726
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: 1
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -876.057570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.057570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.057570 (E_RNA)
where:
Base-Base interactions energy: -525.365
where: short stacking energy: -256.478
Base-Backbone interact. energy: -2.387
local terms energy: -348.305926
where:
bonds (distance) C4'-P energy: -81.902
bonds (distance) P-C4' energy: -90.957
flat angles C4'-P-C4' energy: -92.516
flat angles P-C4'-P energy: -53.601
tors. eta vs tors. theta energy: -29.329
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: 10
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -696.293642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.293642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.293642 (E_RNA)
where:
Base-Base interactions energy: -346.123
where: short stacking energy: -227.040
Base-Backbone interact. energy: 2.565
local terms energy: -352.735212
where:
bonds (distance) C4'-P energy: -80.646
bonds (distance) P-C4' energy: -113.597
flat angles C4'-P-C4' energy: -85.870
flat angles P-C4'-P energy: -32.141
tors. eta vs tors. theta energy: -40.481
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: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -443.639233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.639233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.639233 (E_RNA)
where:
Base-Base interactions energy: -155.794
where: short stacking energy: -107.144
Base-Backbone interact. energy: 6.001
local terms energy: -293.846774
where:
bonds (distance) C4'-P energy: -79.940
bonds (distance) P-C4' energy: -103.775
flat angles C4'-P-C4' energy: -85.981
flat angles P-C4'-P energy: -56.310
tors. eta vs tors. theta energy: 32.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1871.156419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.156419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.156419 (E_RNA)
where:
Base-Base interactions energy: -1280.647
where: short stacking energy: -550.494
Base-Backbone interact. energy: -1.966
local terms energy: -588.542670
where:
bonds (distance) C4'-P energy: -116.575
bonds (distance) P-C4' energy: -113.108
flat angles C4'-P-C4' energy: -123.443
flat angles P-C4'-P energy: -78.957
tors. eta vs tors. theta energy: -156.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1690.341187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.341187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.341187 (E_RNA)
where:
Base-Base interactions energy: -1117.534
where: short stacking energy: -478.590
Base-Backbone interact. energy: -7.433
local terms energy: -565.373787
where:
bonds (distance) C4'-P energy: -111.692
bonds (distance) P-C4' energy: -121.478
flat angles C4'-P-C4' energy: -116.940
flat angles P-C4'-P energy: -81.937
tors. eta vs tors. theta energy: -133.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1638.678947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.678947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.678947 (E_RNA)
where:
Base-Base interactions energy: -1103.973
where: short stacking energy: -482.212
Base-Backbone interact. energy: -0.842
local terms energy: -533.864059
where:
bonds (distance) C4'-P energy: -93.828
bonds (distance) P-C4' energy: -109.942
flat angles C4'-P-C4' energy: -115.345
flat angles P-C4'-P energy: -70.923
tors. eta vs tors. theta energy: -143.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1504.482938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.482938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.482938 (E_RNA)
where:
Base-Base interactions energy: -996.920
where: short stacking energy: -417.424
Base-Backbone interact. energy: -2.941
local terms energy: -504.621571
where:
bonds (distance) C4'-P energy: -104.826
bonds (distance) P-C4' energy: -118.957
flat angles C4'-P-C4' energy: -119.536
flat angles P-C4'-P energy: -68.127
tors. eta vs tors. theta energy: -93.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1496.885255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.885255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.885255 (E_RNA)
where:
Base-Base interactions energy: -983.471
where: short stacking energy: -419.429
Base-Backbone interact. energy: -2.917
local terms energy: -510.497669
where:
bonds (distance) C4'-P energy: -106.221
bonds (distance) P-C4' energy: -100.250
flat angles C4'-P-C4' energy: -112.613
flat angles P-C4'-P energy: -69.020
tors. eta vs tors. theta energy: -122.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1245.877359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.877359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.877359 (E_RNA)
where:
Base-Base interactions energy: -801.389
where: short stacking energy: -380.841
Base-Backbone interact. energy: -1.041
local terms energy: -443.447237
where:
bonds (distance) C4'-P energy: -85.996
bonds (distance) P-C4' energy: -111.204
flat angles C4'-P-C4' energy: -99.946
flat angles P-C4'-P energy: -51.086
tors. eta vs tors. theta energy: -95.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1241.624035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.624035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.624035 (E_RNA)
where:
Base-Base interactions energy: -808.807
where: short stacking energy: -322.146
Base-Backbone interact. energy: -1.024
local terms energy: -431.792744
where:
bonds (distance) C4'-P energy: -89.573
bonds (distance) P-C4' energy: -115.259
flat angles C4'-P-C4' energy: -94.057
flat angles P-C4'-P energy: -63.796
tors. eta vs tors. theta energy: -69.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -827.181818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.181818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.181818 (E_RNA)
where:
Base-Base interactions energy: -474.137
where: short stacking energy: -246.418
Base-Backbone interact. energy: 1.404
local terms energy: -354.449452
where:
bonds (distance) C4'-P energy: -95.773
bonds (distance) P-C4' energy: -101.809
flat angles C4'-P-C4' energy: -79.187
flat angles P-C4'-P energy: -46.758
tors. eta vs tors. theta energy: -30.922
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: 10
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -655.822214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.822214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.822214 (E_RNA)
where:
Base-Base interactions energy: -274.296
where: short stacking energy: -179.588
Base-Backbone interact. energy: -0.963
local terms energy: -380.562890
where:
bonds (distance) C4'-P energy: -99.071
bonds (distance) P-C4' energy: -110.689
flat angles C4'-P-C4' energy: -107.774
flat angles P-C4'-P energy: -40.425
tors. eta vs tors. theta energy: -22.603
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: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -463.744109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.744109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.744109 (E_RNA)
where:
Base-Base interactions energy: -182.500
where: short stacking energy: -134.827
Base-Backbone interact. energy: 11.769
local terms energy: -293.013326
where:
bonds (distance) C4'-P energy: -75.674
bonds (distance) P-C4' energy: -88.805
flat angles C4'-P-C4' energy: -86.506
flat angles P-C4'-P energy: -55.536
tors. eta vs tors. theta energy: 13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1922.877578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.877578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.877578 (E_RNA)
where:
Base-Base interactions energy: -1319.141
where: short stacking energy: -559.805
Base-Backbone interact. energy: -0.622
local terms energy: -603.114528
where:
bonds (distance) C4'-P energy: -119.262
bonds (distance) P-C4' energy: -114.835
flat angles C4'-P-C4' energy: -128.868
flat angles P-C4'-P energy: -84.117
tors. eta vs tors. theta energy: -156.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1743.323242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.323242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.323242 (E_RNA)
where:
Base-Base interactions energy: -1160.054
where: short stacking energy: -545.332
Base-Backbone interact. energy: -3.028
local terms energy: -580.240757
where:
bonds (distance) C4'-P energy: -105.997
bonds (distance) P-C4' energy: -111.673
flat angles C4'-P-C4' energy: -125.526
flat angles P-C4'-P energy: -85.492
tors. eta vs tors. theta energy: -151.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1623.354832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.354832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.354832 (E_RNA)
where:
Base-Base interactions energy: -1064.925
where: short stacking energy: -475.596
Base-Backbone interact. energy: 1.125
local terms energy: -559.555544
where:
bonds (distance) C4'-P energy: -107.185
bonds (distance) P-C4' energy: -114.720
flat angles C4'-P-C4' energy: -114.283
flat angles P-C4'-P energy: -79.802
tors. eta vs tors. theta energy: -143.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1510.639136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.639136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.639136 (E_RNA)
where:
Base-Base interactions energy: -995.817
where: short stacking energy: -426.865
Base-Backbone interact. energy: -1.442
local terms energy: -513.379892
where:
bonds (distance) C4'-P energy: -82.558
bonds (distance) P-C4' energy: -111.748
flat angles C4'-P-C4' energy: -113.152
flat angles P-C4'-P energy: -84.209
tors. eta vs tors. theta energy: -121.714
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: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1446.599834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.599834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.599834 (E_RNA)
where:
Base-Base interactions energy: -939.246
where: short stacking energy: -428.346
Base-Backbone interact. energy: -1.459
local terms energy: -505.894630
where:
bonds (distance) C4'-P energy: -99.290
bonds (distance) P-C4' energy: -112.684
flat angles C4'-P-C4' energy: -125.790
flat angles P-C4'-P energy: -58.049
tors. eta vs tors. theta energy: -110.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1166.253432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.253432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.253432 (E_RNA)
where:
Base-Base interactions energy: -725.610
where: short stacking energy: -329.303
Base-Backbone interact. energy: -3.039
local terms energy: -437.604145
where:
bonds (distance) C4'-P energy: -101.675
bonds (distance) P-C4' energy: -104.953
flat angles C4'-P-C4' energy: -97.982
flat angles P-C4'-P energy: -74.375
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: 7, replica: 7
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1203.395269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.395269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.395269 (E_RNA)
where:
Base-Base interactions energy: -753.231
where: short stacking energy: -345.576
Base-Backbone interact. energy: -2.589
local terms energy: -447.574964
where:
bonds (distance) C4'-P energy: -105.440
bonds (distance) P-C4' energy: -88.885
flat angles C4'-P-C4' energy: -124.473
flat angles P-C4'-P energy: -56.387
tors. eta vs tors. theta energy: -72.389
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: 8, replica: 1
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -831.819303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.819303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.819303 (E_RNA)
where:
Base-Base interactions energy: -493.170
where: short stacking energy: -248.874
Base-Backbone interact. energy: 2.482
local terms energy: -341.132045
where:
bonds (distance) C4'-P energy: -83.909
bonds (distance) P-C4' energy: -97.806
flat angles C4'-P-C4' energy: -77.778
flat angles P-C4'-P energy: -52.376
tors. eta vs tors. theta energy: -29.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -599.638662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.638662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.638662 (E_RNA)
where:
Base-Base interactions energy: -277.236
where: short stacking energy: -168.793
Base-Backbone interact. energy: 2.882
local terms energy: -325.284262
where:
bonds (distance) C4'-P energy: -99.359
bonds (distance) P-C4' energy: -86.715
flat angles C4'-P-C4' energy: -76.559
flat angles P-C4'-P energy: -66.564
tors. eta vs tors. theta energy: 3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -508.858973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.858973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.858973 (E_RNA)
where:
Base-Base interactions energy: -191.523
where: short stacking energy: -120.985
Base-Backbone interact. energy: 2.769
local terms energy: -320.104397
where:
bonds (distance) C4'-P energy: -101.700
bonds (distance) P-C4' energy: -104.740
flat angles C4'-P-C4' energy: -84.919
flat angles P-C4'-P energy: -55.010
tors. eta vs tors. theta energy: 26.265
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: 65
Temperature: 0.900000
Total energy: -1885.119569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.119569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.119569 (E_RNA)
where:
Base-Base interactions energy: -1301.885
where: short stacking energy: -570.883
Base-Backbone interact. energy: 1.112
local terms energy: -584.345881
where:
bonds (distance) C4'-P energy: -111.080
bonds (distance) P-C4' energy: -110.384
flat angles C4'-P-C4' energy: -127.025
flat angles P-C4'-P energy: -82.157
tors. eta vs tors. theta energy: -153.701
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: 65
Temperature: 0.950000
Total energy: -1763.365788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.365788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.365788 (E_RNA)
where:
Base-Base interactions energy: -1151.793
where: short stacking energy: -543.960
Base-Backbone interact. energy: -2.022
local terms energy: -609.550970
where:
bonds (distance) C4'-P energy: -123.523
bonds (distance) P-C4' energy: -123.521
flat angles C4'-P-C4' energy: -131.143
flat angles P-C4'-P energy: -82.161
tors. eta vs tors. theta energy: -149.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1650.859336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.859336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.859336 (E_RNA)
where:
Base-Base interactions energy: -1075.544
where: short stacking energy: -450.817
Base-Backbone interact. energy: -4.309
local terms energy: -571.006702
where:
bonds (distance) C4'-P energy: -111.853
bonds (distance) P-C4' energy: -109.574
flat angles C4'-P-C4' energy: -123.593
flat angles P-C4'-P energy: -90.664
tors. eta vs tors. theta energy: -135.323
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: 65
Temperature: 1.050000
Total energy: -1527.201573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.201573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.201573 (E_RNA)
where:
Base-Base interactions energy: -1020.120
where: short stacking energy: -428.109
Base-Backbone interact. energy: -2.670
local terms energy: -504.412157
where:
bonds (distance) C4'-P energy: -93.333
bonds (distance) P-C4' energy: -111.884
flat angles C4'-P-C4' energy: -114.623
flat angles P-C4'-P energy: -77.513
tors. eta vs tors. theta energy: -107.059
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: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1466.707584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.707584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.707584 (E_RNA)
where:
Base-Base interactions energy: -962.813
where: short stacking energy: -437.939
Base-Backbone interact. energy: -0.254
local terms energy: -503.640767
where:
bonds (distance) C4'-P energy: -91.621
bonds (distance) P-C4' energy: -111.188
flat angles C4'-P-C4' energy: -115.261
flat angles P-C4'-P energy: -72.428
tors. eta vs tors. theta energy: -113.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1114.219241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.219241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.219241 (E_RNA)
where:
Base-Base interactions energy: -695.328
where: short stacking energy: -330.689
Base-Backbone interact. energy: 3.864
local terms energy: -422.755883
where:
bonds (distance) C4'-P energy: -103.997
bonds (distance) P-C4' energy: -94.140
flat angles C4'-P-C4' energy: -101.632
flat angles P-C4'-P energy: -61.163
tors. eta vs tors. theta energy: -61.824
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: 7
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1262.745781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.745781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.745781 (E_RNA)
where:
Base-Base interactions energy: -829.259
where: short stacking energy: -342.839
Base-Backbone interact. energy: -0.237
local terms energy: -433.249392
where:
bonds (distance) C4'-P energy: -97.303
bonds (distance) P-C4' energy: -93.295
flat angles C4'-P-C4' energy: -93.129
flat angles P-C4'-P energy: -80.881
tors. eta vs tors. theta energy: -68.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -874.799875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.799875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.799875 (E_RNA)
where:
Base-Base interactions energy: -503.001
where: short stacking energy: -223.859
Base-Backbone interact. energy: 3.683
local terms energy: -375.481839
where:
bonds (distance) C4'-P energy: -85.980
bonds (distance) P-C4' energy: -95.031
flat angles C4'-P-C4' energy: -99.962
flat angles P-C4'-P energy: -66.529
tors. eta vs tors. theta energy: -27.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -605.247256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.247256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.247256 (E_RNA)
where:
Base-Base interactions energy: -271.124
where: short stacking energy: -156.143
Base-Backbone interact. energy: 1.925
local terms energy: -336.048136
where:
bonds (distance) C4'-P energy: -103.994
bonds (distance) P-C4' energy: -97.479
flat angles C4'-P-C4' energy: -87.312
flat angles P-C4'-P energy: -43.971
tors. eta vs tors. theta energy: -3.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -545.278626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.278626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.278626 (E_RNA)
where:
Base-Base interactions energy: -255.058
where: short stacking energy: -150.893
Base-Backbone interact. energy: 0.314
local terms energy: -290.534004
where:
bonds (distance) C4'-P energy: -98.058
bonds (distance) P-C4' energy: -101.082
flat angles C4'-P-C4' energy: -66.456
flat angles P-C4'-P energy: -44.930
tors. eta vs tors. theta energy: 19.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1888.512192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.512192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.512192 (E_RNA)
where:
Base-Base interactions energy: -1281.872
where: short stacking energy: -545.183
Base-Backbone interact. energy: -3.327
local terms energy: -603.313311
where:
bonds (distance) C4'-P energy: -106.833
bonds (distance) P-C4' energy: -111.361
flat angles C4'-P-C4' energy: -143.416
flat angles P-C4'-P energy: -85.446
tors. eta vs tors. theta energy: -156.258
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: 3
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1726.689703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.689703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.689703 (E_RNA)
where:
Base-Base interactions energy: -1150.652
where: short stacking energy: -529.945
Base-Backbone interact. energy: -3.729
local terms energy: -572.308425
where:
bonds (distance) C4'-P energy: -111.818
bonds (distance) P-C4' energy: -111.188
flat angles C4'-P-C4' energy: -128.654
flat angles P-C4'-P energy: -74.998
tors. eta vs tors. theta energy: -145.651
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: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1655.300595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.300595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.300595 (E_RNA)
where:
Base-Base interactions energy: -1114.057
where: short stacking energy: -486.067
Base-Backbone interact. energy: -1.351
local terms energy: -539.892602
where:
bonds (distance) C4'-P energy: -105.951
bonds (distance) P-C4' energy: -103.314
flat angles C4'-P-C4' energy: -121.510
flat angles P-C4'-P energy: -77.445
tors. eta vs tors. theta energy: -131.673
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: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1560.637058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.637058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.637058 (E_RNA)
where:
Base-Base interactions energy: -1051.788
where: short stacking energy: -434.823
Base-Backbone interact. energy: -4.201
local terms energy: -504.647245
where:
bonds (distance) C4'-P energy: -104.290
bonds (distance) P-C4' energy: -109.780
flat angles C4'-P-C4' energy: -103.016
flat angles P-C4'-P energy: -76.467
tors. eta vs tors. theta energy: -111.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1457.106858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.106858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.106858 (E_RNA)
where:
Base-Base interactions energy: -967.772
where: short stacking energy: -405.840
Base-Backbone interact. energy: -1.387
local terms energy: -487.947291
where:
bonds (distance) C4'-P energy: -91.141
bonds (distance) P-C4' energy: -109.772
flat angles C4'-P-C4' energy: -116.720
flat angles P-C4'-P energy: -66.845
tors. eta vs tors. theta energy: -103.469
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: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1164.003058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.003058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.003058 (E_RNA)
where:
Base-Base interactions energy: -710.410
where: short stacking energy: -357.730
Base-Backbone interact. energy: -0.938
local terms energy: -452.655186
where:
bonds (distance) C4'-P energy: -78.503
bonds (distance) P-C4' energy: -95.683
flat angles C4'-P-C4' energy: -116.129
flat angles P-C4'-P energy: -76.576
tors. eta vs tors. theta energy: -85.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1259.040571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.040571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.040571 (E_RNA)
where:
Base-Base interactions energy: -791.585
where: short stacking energy: -342.967
Base-Backbone interact. energy: -3.796
local terms energy: -463.659317
where:
bonds (distance) C4'-P energy: -110.083
bonds (distance) P-C4' energy: -124.769
flat angles C4'-P-C4' energy: -101.895
flat angles P-C4'-P energy: -68.584
tors. eta vs tors. theta energy: -58.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -844.373210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.373210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.373210 (E_RNA)
where:
Base-Base interactions energy: -468.725
where: short stacking energy: -243.741
Base-Backbone interact. energy: 1.266
local terms energy: -376.914890
where:
bonds (distance) C4'-P energy: -91.534
bonds (distance) P-C4' energy: -106.288
flat angles C4'-P-C4' energy: -92.069
flat angles P-C4'-P energy: -47.002
tors. eta vs tors. theta energy: -40.021
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: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -609.544461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.544461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.544461 (E_RNA)
where:
Base-Base interactions energy: -282.786
where: short stacking energy: -174.854
Base-Backbone interact. energy: -1.065
local terms energy: -325.693250
where:
bonds (distance) C4'-P energy: -95.482
bonds (distance) P-C4' energy: -100.971
flat angles C4'-P-C4' energy: -93.023
flat angles P-C4'-P energy: -33.427
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: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -502.142143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.142143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.142143 (E_RNA)
where:
Base-Base interactions energy: -217.225
where: short stacking energy: -142.182
Base-Backbone interact. energy: -0.630
local terms energy: -284.287075
where:
bonds (distance) C4'-P energy: -87.692
bonds (distance) P-C4' energy: -97.616
flat angles C4'-P-C4' energy: -78.098
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: 17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1865.204723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.204723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.204723 (E_RNA)
where:
Base-Base interactions energy: -1283.694
where: short stacking energy: -548.351
Base-Backbone interact. energy: -2.118
local terms energy: -579.393157
where:
bonds (distance) C4'-P energy: -106.534
bonds (distance) P-C4' energy: -116.223
flat angles C4'-P-C4' energy: -134.777
flat angles P-C4'-P energy: -77.810
tors. eta vs tors. theta energy: -144.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1737.999954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.999954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.999954 (E_RNA)
where:
Base-Base interactions energy: -1162.928
where: short stacking energy: -520.238
Base-Backbone interact. energy: -2.962
local terms energy: -572.109963
where:
bonds (distance) C4'-P energy: -107.662
bonds (distance) P-C4' energy: -117.760
flat angles C4'-P-C4' energy: -127.770
flat angles P-C4'-P energy: -75.595
tors. eta vs tors. theta energy: -143.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1668.581387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.581387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.581387 (E_RNA)
where:
Base-Base interactions energy: -1135.141
where: short stacking energy: -488.644
Base-Backbone interact. energy: 0.059
local terms energy: -533.499359
where:
bonds (distance) C4'-P energy: -104.539
bonds (distance) P-C4' energy: -103.794
flat angles C4'-P-C4' energy: -117.905
flat angles P-C4'-P energy: -72.291
tors. eta vs tors. theta energy: -134.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1585.090276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.090276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.090276 (E_RNA)
where:
Base-Base interactions energy: -1080.146
where: short stacking energy: -443.914
Base-Backbone interact. energy: -2.576
local terms energy: -502.367381
where:
bonds (distance) C4'-P energy: -96.650
bonds (distance) P-C4' energy: -100.655
flat angles C4'-P-C4' energy: -119.100
flat angles P-C4'-P energy: -68.473
tors. eta vs tors. theta energy: -117.488
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: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1445.956522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.956522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.956522 (E_RNA)
where:
Base-Base interactions energy: -960.050
where: short stacking energy: -440.545
Base-Backbone interact. energy: -1.606
local terms energy: -484.300286
where:
bonds (distance) C4'-P energy: -89.527
bonds (distance) P-C4' energy: -113.449
flat angles C4'-P-C4' energy: -112.539
flat angles P-C4'-P energy: -53.194
tors. eta vs tors. theta energy: -115.591
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: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1287.767108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.767108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.767108 (E_RNA)
where:
Base-Base interactions energy: -842.508
where: short stacking energy: -361.090
Base-Backbone interact. energy: -3.935
local terms energy: -441.324638
where:
bonds (distance) C4'-P energy: -91.774
bonds (distance) P-C4' energy: -109.652
flat angles C4'-P-C4' energy: -97.451
flat angles P-C4'-P energy: -72.865
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: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1109.449157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.449157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.449157 (E_RNA)
where:
Base-Base interactions energy: -665.325
where: short stacking energy: -317.497
Base-Backbone interact. energy: -0.096
local terms energy: -444.027855
where:
bonds (distance) C4'-P energy: -93.071
bonds (distance) P-C4' energy: -95.392
flat angles C4'-P-C4' energy: -108.960
flat angles P-C4'-P energy: -76.625
tors. eta vs tors. theta energy: -69.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -860.617240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.617240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.617240 (E_RNA)
where:
Base-Base interactions energy: -479.399
where: short stacking energy: -251.623
Base-Backbone interact. energy: -1.898
local terms energy: -379.320522
where:
bonds (distance) C4'-P energy: -98.335
bonds (distance) P-C4' energy: -115.401
flat angles C4'-P-C4' energy: -90.823
flat angles P-C4'-P energy: -46.364
tors. eta vs tors. theta energy: -28.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -567.562428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.562428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.562428 (E_RNA)
where:
Base-Base interactions energy: -246.905
where: short stacking energy: -182.930
Base-Backbone interact. energy: 1.168
local terms energy: -321.825748
where:
bonds (distance) C4'-P energy: -85.653
bonds (distance) P-C4' energy: -112.827
flat angles C4'-P-C4' energy: -93.163
flat angles P-C4'-P energy: -28.006
tors. eta vs tors. theta energy: -2.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -499.327959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.327959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.327959 (E_RNA)
where:
Base-Base interactions energy: -199.298
where: short stacking energy: -133.567
Base-Backbone interact. energy: -0.473
local terms energy: -299.556298
where:
bonds (distance) C4'-P energy: -97.426
bonds (distance) P-C4' energy: -106.237
flat angles C4'-P-C4' energy: -75.862
flat angles P-C4'-P energy: -42.886
tors. eta vs tors. theta energy: 22.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1906.365185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.365185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.365185 (E_RNA)
where:
Base-Base interactions energy: -1309.391
where: short stacking energy: -552.762
Base-Backbone interact. energy: -1.581
local terms energy: -595.393004
where:
bonds (distance) C4'-P energy: -116.449
bonds (distance) P-C4' energy: -123.928
flat angles C4'-P-C4' energy: -122.141
flat angles P-C4'-P energy: -89.342
tors. eta vs tors. theta energy: -143.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1714.598173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.598173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.598173 (E_RNA)
where:
Base-Base interactions energy: -1139.133
where: short stacking energy: -503.830
Base-Backbone interact. energy: -3.146
local terms energy: -572.319894
where:
bonds (distance) C4'-P energy: -96.599
bonds (distance) P-C4' energy: -113.296
flat angles C4'-P-C4' energy: -143.461
flat angles P-C4'-P energy: -73.655
tors. eta vs tors. theta energy: -145.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -1659.098703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.098703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.098703 (E_RNA)
where:
Base-Base interactions energy: -1099.418
where: short stacking energy: -494.696
Base-Backbone interact. energy: -3.831
local terms energy: -555.849734
where:
bonds (distance) C4'-P energy: -92.882
bonds (distance) P-C4' energy: -121.095
flat angles C4'-P-C4' energy: -125.349
flat angles P-C4'-P energy: -74.405
tors. eta vs tors. theta energy: -142.118
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: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1546.379141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.379141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.379141 (E_RNA)
where:
Base-Base interactions energy: -1061.763
where: short stacking energy: -470.318
Base-Backbone interact. energy: 2.687
local terms energy: -487.302897
where:
bonds (distance) C4'-P energy: -102.620
bonds (distance) P-C4' energy: -102.861
flat angles C4'-P-C4' energy: -114.500
flat angles P-C4'-P energy: -59.529
tors. eta vs tors. theta energy: -107.793
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: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1506.033138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.033138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.033138 (E_RNA)
where:
Base-Base interactions energy: -990.874
where: short stacking energy: -458.362
Base-Backbone interact. energy: -0.769
local terms energy: -514.389454
where:
bonds (distance) C4'-P energy: -101.897
bonds (distance) P-C4' energy: -103.505
flat angles C4'-P-C4' energy: -124.428
flat angles P-C4'-P energy: -67.406
tors. eta vs tors. theta energy: -117.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1293.845026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.845026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.845026 (E_RNA)
where:
Base-Base interactions energy: -849.208
where: short stacking energy: -358.673
Base-Backbone interact. energy: -1.734
local terms energy: -442.902722
where:
bonds (distance) C4'-P energy: -97.587
bonds (distance) P-C4' energy: -112.956
flat angles C4'-P-C4' energy: -99.331
flat angles P-C4'-P energy: -55.706
tors. eta vs tors. theta energy: -77.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1026.380084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.380084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.380084 (E_RNA)
where:
Base-Base interactions energy: -598.509
where: short stacking energy: -282.276
Base-Backbone interact. energy: -3.706
local terms energy: -424.164945
where:
bonds (distance) C4'-P energy: -115.855
bonds (distance) P-C4' energy: -94.179
flat angles C4'-P-C4' energy: -105.470
flat angles P-C4'-P energy: -56.044
tors. eta vs tors. theta energy: -52.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -806.139872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.139872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.139872 (E_RNA)
where:
Base-Base interactions energy: -464.584
where: short stacking energy: -248.224
Base-Backbone interact. energy: 0.493
local terms energy: -342.049498
where:
bonds (distance) C4'-P energy: -84.982
bonds (distance) P-C4' energy: -94.619
flat angles C4'-P-C4' energy: -84.822
flat angles P-C4'-P energy: -44.787
tors. eta vs tors. theta energy: -32.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -574.640633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.640633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.640633 (E_RNA)
where:
Base-Base interactions energy: -263.505
where: short stacking energy: -154.597
Base-Backbone interact. energy: -0.901
local terms energy: -310.234235
where:
bonds (distance) C4'-P energy: -98.744
bonds (distance) P-C4' energy: -94.705
flat angles C4'-P-C4' energy: -85.849
flat angles P-C4'-P energy: -34.647
tors. eta vs tors. theta energy: 3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -445.462793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.462793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.462793 (E_RNA)
where:
Base-Base interactions energy: -152.153
where: short stacking energy: -132.194
Base-Backbone interact. energy: -2.607
local terms energy: -290.702838
where:
bonds (distance) C4'-P energy: -77.034
bonds (distance) P-C4' energy: -83.585
flat angles C4'-P-C4' energy: -94.220
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: 24.571
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: 9
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1897.683448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.683448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.683448 (E_RNA)
where:
Base-Base interactions energy: -1310.755
where: short stacking energy: -556.413
Base-Backbone interact. energy: -3.439
local terms energy: -583.489707
where:
bonds (distance) C4'-P energy: -110.297
bonds (distance) P-C4' energy: -115.270
flat angles C4'-P-C4' energy: -127.118
flat angles P-C4'-P energy: -85.432
tors. eta vs tors. theta energy: -145.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1737.070486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.070486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.070486 (E_RNA)
where:
Base-Base interactions energy: -1145.320
where: short stacking energy: -489.277
Base-Backbone interact. energy: -1.239
local terms energy: -590.510985
where:
bonds (distance) C4'-P energy: -118.479
bonds (distance) P-C4' energy: -113.784
flat angles C4'-P-C4' energy: -130.660
flat angles P-C4'-P energy: -84.012
tors. eta vs tors. theta energy: -143.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1684.577016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.577016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.577016 (E_RNA)
where:
Base-Base interactions energy: -1126.178
where: short stacking energy: -508.403
Base-Backbone interact. energy: -2.068
local terms energy: -556.331299
where:
bonds (distance) C4'-P energy: -96.562
bonds (distance) P-C4' energy: -114.996
flat angles C4'-P-C4' energy: -121.468
flat angles P-C4'-P energy: -76.275
tors. eta vs tors. theta energy: -147.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1552.917997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.917997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.917997 (E_RNA)
where:
Base-Base interactions energy: -1023.419
where: short stacking energy: -445.011
Base-Backbone interact. energy: -1.746
local terms energy: -527.753044
where:
bonds (distance) C4'-P energy: -102.342
bonds (distance) P-C4' energy: -119.335
flat angles C4'-P-C4' energy: -111.288
flat angles P-C4'-P energy: -73.620
tors. eta vs tors. theta energy: -121.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1496.691612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.691612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.691612 (E_RNA)
where:
Base-Base interactions energy: -1010.096
where: short stacking energy: -447.631
Base-Backbone interact. energy: -0.426
local terms energy: -486.169734
where:
bonds (distance) C4'-P energy: -101.909
bonds (distance) P-C4' energy: -110.373
flat angles C4'-P-C4' energy: -108.562
flat angles P-C4'-P energy: -54.906
tors. eta vs tors. theta energy: -110.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1272.269059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.269059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.269059 (E_RNA)
where:
Base-Base interactions energy: -801.748
where: short stacking energy: -342.688
Base-Backbone interact. energy: -1.705
local terms energy: -468.815779
where:
bonds (distance) C4'-P energy: -115.498
bonds (distance) P-C4' energy: -110.682
flat angles C4'-P-C4' energy: -114.211
flat angles P-C4'-P energy: -65.734
tors. eta vs tors. theta energy: -62.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1016.711110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.711110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.711110 (E_RNA)
where:
Base-Base interactions energy: -608.596
where: short stacking energy: -310.248
Base-Backbone interact. energy: -1.873
local terms energy: -406.242340
where:
bonds (distance) C4'-P energy: -100.054
bonds (distance) P-C4' energy: -89.799
flat angles C4'-P-C4' energy: -101.143
flat angles P-C4'-P energy: -58.278
tors. eta vs tors. theta energy: -56.967
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: 8, replica: 1
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -759.225960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.225960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.225960 (E_RNA)
where:
Base-Base interactions energy: -400.836
where: short stacking energy: -219.856
Base-Backbone interact. energy: -1.998
local terms energy: -356.391363
where:
bonds (distance) C4'-P energy: -94.876
bonds (distance) P-C4' energy: -87.685
flat angles C4'-P-C4' energy: -90.387
flat angles P-C4'-P energy: -52.860
tors. eta vs tors. theta energy: -30.583
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: 10
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -562.126018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.126018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.126018 (E_RNA)
where:
Base-Base interactions energy: -242.905
where: short stacking energy: -184.656
Base-Backbone interact. energy: 1.514
local terms energy: -320.735425
where:
bonds (distance) C4'-P energy: -75.796
bonds (distance) P-C4' energy: -112.862
flat angles C4'-P-C4' energy: -77.558
flat angles P-C4'-P energy: -44.684
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -502.395077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.395077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.395077 (E_RNA)
where:
Base-Base interactions energy: -217.181
where: short stacking energy: -159.277
Base-Backbone interact. energy: -3.259
local terms energy: -281.954821
where:
bonds (distance) C4'-P energy: -67.491
bonds (distance) P-C4' energy: -84.595
flat angles C4'-P-C4' energy: -86.431
flat angles P-C4'-P energy: -46.134
tors. eta vs tors. theta energy: 2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1889.640201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.640201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.640201 (E_RNA)
where:
Base-Base interactions energy: -1314.358
where: short stacking energy: -524.608
Base-Backbone interact. energy: -5.017
local terms energy: -570.265450
where:
bonds (distance) C4'-P energy: -106.683
bonds (distance) P-C4' energy: -123.354
flat angles C4'-P-C4' energy: -120.888
flat angles P-C4'-P energy: -81.192
tors. eta vs tors. theta energy: -138.148
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: 2, replica: 3
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1767.664254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.664254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.664254 (E_RNA)
where:
Base-Base interactions energy: -1174.167
where: short stacking energy: -534.373
Base-Backbone interact. energy: 2.741
local terms energy: -596.237966
where:
bonds (distance) C4'-P energy: -96.769
bonds (distance) P-C4' energy: -126.755
flat angles C4'-P-C4' energy: -133.261
flat angles P-C4'-P energy: -83.717
tors. eta vs tors. theta energy: -155.737
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: 6
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1665.429358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.429358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.429358 (E_RNA)
where:
Base-Base interactions energy: -1131.987
where: short stacking energy: -496.372
Base-Backbone interact. energy: -4.553
local terms energy: -528.889809
where:
bonds (distance) C4'-P energy: -86.766
bonds (distance) P-C4' energy: -95.788
flat angles C4'-P-C4' energy: -122.640
flat angles P-C4'-P energy: -84.599
tors. eta vs tors. theta energy: -139.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1574.485983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.485983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.485983 (E_RNA)
where:
Base-Base interactions energy: -1044.410
where: short stacking energy: -473.278
Base-Backbone interact. energy: -1.980
local terms energy: -528.096016
where:
bonds (distance) C4'-P energy: -106.108
bonds (distance) P-C4' energy: -95.686
flat angles C4'-P-C4' energy: -108.830
flat angles P-C4'-P energy: -83.985
tors. eta vs tors. theta energy: -133.486
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: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1458.673631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.673631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.673631 (E_RNA)
where:
Base-Base interactions energy: -961.195
where: short stacking energy: -434.380
Base-Backbone interact. energy: -3.972
local terms energy: -493.507062
where:
bonds (distance) C4'-P energy: -113.461
bonds (distance) P-C4' energy: -106.417
flat angles C4'-P-C4' energy: -98.494
flat angles P-C4'-P energy: -61.257
tors. eta vs tors. theta energy: -113.879
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: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1367.380123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.380123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.380123 (E_RNA)
where:
Base-Base interactions energy: -879.968
where: short stacking energy: -383.609
Base-Backbone interact. energy: -0.496
local terms energy: -486.916016
where:
bonds (distance) C4'-P energy: -101.989
bonds (distance) P-C4' energy: -110.394
flat angles C4'-P-C4' energy: -111.533
flat angles P-C4'-P energy: -72.697
tors. eta vs tors. theta energy: -90.303
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: 70
Temperature: 1.200000
Total energy: -1023.180157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.180157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.180157 (E_RNA)
where:
Base-Base interactions energy: -612.355
where: short stacking energy: -291.945
Base-Backbone interact. energy: -2.221
local terms energy: -408.603514
where:
bonds (distance) C4'-P energy: -93.245
bonds (distance) P-C4' energy: -99.338
flat angles C4'-P-C4' energy: -100.954
flat angles P-C4'-P energy: -67.118
tors. eta vs tors. theta energy: -47.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -744.229973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.229973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.229973 (E_RNA)
where:
Base-Base interactions energy: -368.352
where: short stacking energy: -208.883
Base-Backbone interact. energy: -1.783
local terms energy: -374.094613
where:
bonds (distance) C4'-P energy: -90.292
bonds (distance) P-C4' energy: -113.598
flat angles C4'-P-C4' energy: -91.420
flat angles P-C4'-P energy: -62.168
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -543.579215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.579215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.579215 (E_RNA)
where:
Base-Base interactions energy: -231.218
where: short stacking energy: -154.890
Base-Backbone interact. energy: 2.155
local terms energy: -314.516727
where:
bonds (distance) C4'-P energy: -95.791
bonds (distance) P-C4' energy: -101.273
flat angles C4'-P-C4' energy: -79.243
flat angles P-C4'-P energy: -46.930
tors. eta vs tors. theta energy: 8.721
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: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -504.053065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.053065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.053065 (E_RNA)
where:
Base-Base interactions energy: -214.409
where: short stacking energy: -136.076
Base-Backbone interact. energy: 0.867
local terms energy: -290.511598
where:
bonds (distance) C4'-P energy: -90.463
bonds (distance) P-C4' energy: -96.868
flat angles C4'-P-C4' energy: -52.878
flat angles P-C4'-P energy: -63.228
tors. eta vs tors. theta energy: 12.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1871.561255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.561255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.561255 (E_RNA)
where:
Base-Base interactions energy: -1280.203
where: short stacking energy: -518.778
Base-Backbone interact. energy: -3.537
local terms energy: -587.820539
where:
bonds (distance) C4'-P energy: -114.019
bonds (distance) P-C4' energy: -112.550
flat angles C4'-P-C4' energy: -129.757
flat angles P-C4'-P energy: -92.731
tors. eta vs tors. theta energy: -138.764
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: 3
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1777.613134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.613134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.613134 (E_RNA)
where:
Base-Base interactions energy: -1204.044
where: short stacking energy: -545.499
Base-Backbone interact. energy: -3.951
local terms energy: -569.618125
where:
bonds (distance) C4'-P energy: -105.614
bonds (distance) P-C4' energy: -111.525
flat angles C4'-P-C4' energy: -127.592
flat angles P-C4'-P energy: -71.266
tors. eta vs tors. theta energy: -153.622
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: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1621.516355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.516355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.516355 (E_RNA)
where:
Base-Base interactions energy: -1080.187
where: short stacking energy: -477.880
Base-Backbone interact. energy: -2.425
local terms energy: -538.903785
where:
bonds (distance) C4'-P energy: -102.380
bonds (distance) P-C4' energy: -114.377
flat angles C4'-P-C4' energy: -117.866
flat angles P-C4'-P energy: -84.947
tors. eta vs tors. theta energy: -119.334
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: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1597.321442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.321442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.321442 (E_RNA)
where:
Base-Base interactions energy: -1084.390
where: short stacking energy: -477.975
Base-Backbone interact. energy: -3.202
local terms energy: -509.729759
where:
bonds (distance) C4'-P energy: -102.569
bonds (distance) P-C4' energy: -97.178
flat angles C4'-P-C4' energy: -118.609
flat angles P-C4'-P energy: -64.276
tors. eta vs tors. theta energy: -127.098
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: 2
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -1408.598800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.598800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.598800 (E_RNA)
where:
Base-Base interactions energy: -933.895
where: short stacking energy: -393.034
Base-Backbone interact. energy: -5.009
local terms energy: -469.694524
where:
bonds (distance) C4'-P energy: -90.647
bonds (distance) P-C4' energy: -109.088
flat angles C4'-P-C4' energy: -101.956
flat angles P-C4'-P energy: -74.192
tors. eta vs tors. theta energy: -93.811
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: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1377.408956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.408956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.408956 (E_RNA)
where:
Base-Base interactions energy: -892.169
where: short stacking energy: -381.209
Base-Backbone interact. energy: -3.343
local terms energy: -481.897211
where:
bonds (distance) C4'-P energy: -108.189
bonds (distance) P-C4' energy: -113.846
flat angles C4'-P-C4' energy: -103.363
flat angles P-C4'-P energy: -58.724
tors. eta vs tors. theta energy: -97.775
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: 7, replica: 5
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1017.274825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.274825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.274825 (E_RNA)
where:
Base-Base interactions energy: -591.338
where: short stacking energy: -299.390
Base-Backbone interact. energy: -1.235
local terms energy: -424.701785
where:
bonds (distance) C4'-P energy: -97.597
bonds (distance) P-C4' energy: -106.954
flat angles C4'-P-C4' energy: -97.971
flat angles P-C4'-P energy: -59.356
tors. eta vs tors. theta energy: -62.824
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: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -731.368318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.368318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.368318 (E_RNA)
where:
Base-Base interactions energy: -361.869
where: short stacking energy: -196.993
Base-Backbone interact. energy: 0.982
local terms energy: -370.481212
where:
bonds (distance) C4'-P energy: -103.161
bonds (distance) P-C4' energy: -97.165
flat angles C4'-P-C4' energy: -98.335
flat angles P-C4'-P energy: -51.733
tors. eta vs tors. theta energy: -20.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -611.161798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.161798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.161798 (E_RNA)
where:
Base-Base interactions energy: -286.471
where: short stacking energy: -177.643
Base-Backbone interact. energy: 0.083
local terms energy: -324.773179
where:
bonds (distance) C4'-P energy: -100.204
bonds (distance) P-C4' energy: -103.814
flat angles C4'-P-C4' energy: -73.314
flat angles P-C4'-P energy: -46.191
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -538.850718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.850718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.850718 (E_RNA)
where:
Base-Base interactions energy: -214.074
where: short stacking energy: -143.477
Base-Backbone interact. energy: -0.341
local terms energy: -324.436276
where:
bonds (distance) C4'-P energy: -103.838
bonds (distance) P-C4' energy: -97.071
flat angles C4'-P-C4' energy: -87.395
flat angles P-C4'-P energy: -54.608
tors. eta vs tors. theta energy: 18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1871.278720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.278720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.278720 (E_RNA)
where:
Base-Base interactions energy: -1296.526
where: short stacking energy: -536.667
Base-Backbone interact. energy: -1.212
local terms energy: -573.541360
where:
bonds (distance) C4'-P energy: -105.907
bonds (distance) P-C4' energy: -115.444
flat angles C4'-P-C4' energy: -131.903
flat angles P-C4'-P energy: -77.966
tors. eta vs tors. theta energy: -142.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1726.202989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.202989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.202989 (E_RNA)
where:
Base-Base interactions energy: -1152.036
where: short stacking energy: -514.069
Base-Backbone interact. energy: -1.726
local terms energy: -572.441012
where:
bonds (distance) C4'-P energy: -108.086
bonds (distance) P-C4' energy: -109.236
flat angles C4'-P-C4' energy: -135.100
flat angles P-C4'-P energy: -66.584
tors. eta vs tors. theta energy: -153.435
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: 3, replica: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -1683.456116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.456116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.456116 (E_RNA)
where:
Base-Base interactions energy: -1129.952
where: short stacking energy: -505.946
Base-Backbone interact. energy: 0.416
local terms energy: -553.919827
where:
bonds (distance) C4'-P energy: -105.408
bonds (distance) P-C4' energy: -117.782
flat angles C4'-P-C4' energy: -123.863
flat angles P-C4'-P energy: -64.454
tors. eta vs tors. theta energy: -142.413
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: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1660.683593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.683593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.683593 (E_RNA)
where:
Base-Base interactions energy: -1104.199
where: short stacking energy: -484.034
Base-Backbone interact. energy: -3.298
local terms energy: -553.186966
where:
bonds (distance) C4'-P energy: -100.536
bonds (distance) P-C4' energy: -118.891
flat angles C4'-P-C4' energy: -128.424
flat angles P-C4'-P energy: -69.466
tors. eta vs tors. theta energy: -135.870
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: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1434.025474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.025474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.025474 (E_RNA)
where:
Base-Base interactions energy: -940.465
where: short stacking energy: -429.361
Base-Backbone interact. energy: -2.841
local terms energy: -490.718868
where:
bonds (distance) C4'-P energy: -92.401
bonds (distance) P-C4' energy: -94.764
flat angles C4'-P-C4' energy: -120.711
flat angles P-C4'-P energy: -76.673
tors. eta vs tors. theta energy: -106.170
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: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1348.887094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.887094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.887094 (E_RNA)
where:
Base-Base interactions energy: -875.885
where: short stacking energy: -377.952
Base-Backbone interact. energy: 2.153
local terms energy: -475.155983
where:
bonds (distance) C4'-P energy: -89.660
bonds (distance) P-C4' energy: -112.785
flat angles C4'-P-C4' energy: -108.554
flat angles P-C4'-P energy: -83.048
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: 7, replica: 5
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1045.482066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.482066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.482066 (E_RNA)
where:
Base-Base interactions energy: -625.544
where: short stacking energy: -287.187
Base-Backbone interact. energy: -0.677
local terms energy: -419.260637
where:
bonds (distance) C4'-P energy: -95.138
bonds (distance) P-C4' energy: -94.885
flat angles C4'-P-C4' energy: -99.235
flat angles P-C4'-P energy: -68.233
tors. eta vs tors. theta energy: -61.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -798.706933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.706933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.706933 (E_RNA)
where:
Base-Base interactions energy: -435.660
where: short stacking energy: -246.334
Base-Backbone interact. energy: -2.367
local terms energy: -360.680644
where:
bonds (distance) C4'-P energy: -74.894
bonds (distance) P-C4' energy: -116.875
flat angles C4'-P-C4' energy: -75.460
flat angles P-C4'-P energy: -64.664
tors. eta vs tors. theta energy: -28.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -642.533953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.533953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.533953 (E_RNA)
where:
Base-Base interactions energy: -301.360
where: short stacking energy: -206.350
Base-Backbone interact. energy: 1.139
local terms energy: -342.312985
where:
bonds (distance) C4'-P energy: -91.788
bonds (distance) P-C4' energy: -87.459
flat angles C4'-P-C4' energy: -96.038
flat angles P-C4'-P energy: -58.063
tors. eta vs tors. theta energy: -8.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -551.472172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.472172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.472172 (E_RNA)
where:
Base-Base interactions energy: -232.596
where: short stacking energy: -119.680
Base-Backbone interact. energy: 0.946
local terms energy: -319.822934
where:
bonds (distance) C4'-P energy: -110.765
bonds (distance) P-C4' energy: -105.600
flat angles C4'-P-C4' energy: -73.976
flat angles P-C4'-P energy: -39.015
tors. eta vs tors. theta energy: 9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1876.327648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.327648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.327648 (E_RNA)
where:
Base-Base interactions energy: -1291.056
where: short stacking energy: -511.765
Base-Backbone interact. energy: -3.866
local terms energy: -581.405677
where:
bonds (distance) C4'-P energy: -107.188
bonds (distance) P-C4' energy: -127.802
flat angles C4'-P-C4' energy: -138.198
flat angles P-C4'-P energy: -83.569
tors. eta vs tors. theta energy: -124.648
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: 3
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1686.610737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.610737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.610737 (E_RNA)
where:
Base-Base interactions energy: -1113.564
where: short stacking energy: -499.859
Base-Backbone interact. energy: -1.713
local terms energy: -571.333943
where:
bonds (distance) C4'-P energy: -114.582
bonds (distance) P-C4' energy: -113.142
flat angles C4'-P-C4' energy: -123.346
flat angles P-C4'-P energy: -69.643
tors. eta vs tors. theta energy: -150.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1719.132505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.132505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.132505 (E_RNA)
where:
Base-Base interactions energy: -1139.081
where: short stacking energy: -518.926
Base-Backbone interact. energy: 0.662
local terms energy: -580.712972
where:
bonds (distance) C4'-P energy: -111.351
bonds (distance) P-C4' energy: -111.158
flat angles C4'-P-C4' energy: -126.045
flat angles P-C4'-P energy: -84.689
tors. eta vs tors. theta energy: -147.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1670.335296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.335296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.335296 (E_RNA)
where:
Base-Base interactions energy: -1113.232
where: short stacking energy: -468.916
Base-Backbone interact. energy: -1.097
local terms energy: -556.005795
where:
bonds (distance) C4'-P energy: -111.319
bonds (distance) P-C4' energy: -111.177
flat angles C4'-P-C4' energy: -123.742
flat angles P-C4'-P energy: -76.685
tors. eta vs tors. theta energy: -133.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1360.867477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.867477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.867477 (E_RNA)
where:
Base-Base interactions energy: -861.248
where: short stacking energy: -382.884
Base-Backbone interact. energy: -0.258
local terms energy: -499.362042
where:
bonds (distance) C4'-P energy: -108.966
bonds (distance) P-C4' energy: -113.034
flat angles C4'-P-C4' energy: -115.742
flat angles P-C4'-P energy: -69.525
tors. eta vs tors. theta energy: -92.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1458.896912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.896912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.896912 (E_RNA)
where:
Base-Base interactions energy: -984.385
where: short stacking energy: -421.341
Base-Backbone interact. energy: -0.620
local terms energy: -473.891539
where:
bonds (distance) C4'-P energy: -97.666
bonds (distance) P-C4' energy: -90.496
flat angles C4'-P-C4' energy: -104.511
flat angles P-C4'-P energy: -68.655
tors. eta vs tors. theta energy: -112.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1020.289872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.289872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.289872 (E_RNA)
where:
Base-Base interactions energy: -621.914
where: short stacking energy: -284.230
Base-Backbone interact. energy: 0.863
local terms energy: -399.239245
where:
bonds (distance) C4'-P energy: -92.173
bonds (distance) P-C4' energy: -106.888
flat angles C4'-P-C4' energy: -97.782
flat angles P-C4'-P energy: -62.385
tors. eta vs tors. theta energy: -40.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -787.619233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.619233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.619233 (E_RNA)
where:
Base-Base interactions energy: -435.410
where: short stacking energy: -239.858
Base-Backbone interact. energy: -0.743
local terms energy: -351.466051
where:
bonds (distance) C4'-P energy: -77.505
bonds (distance) P-C4' energy: -94.695
flat angles C4'-P-C4' energy: -97.948
flat angles P-C4'-P energy: -49.163
tors. eta vs tors. theta energy: -32.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -639.714980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.714980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.714980 (E_RNA)
where:
Base-Base interactions energy: -281.465
where: short stacking energy: -175.402
Base-Backbone interact. energy: -1.408
local terms energy: -356.842270
where:
bonds (distance) C4'-P energy: -95.081
bonds (distance) P-C4' energy: -94.920
flat angles C4'-P-C4' energy: -80.325
flat angles P-C4'-P energy: -67.693
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -446.355729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.355729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.355729 (E_RNA)
where:
Base-Base interactions energy: -146.527
where: short stacking energy: -114.150
Base-Backbone interact. energy: 1.625
local terms energy: -301.453237
where:
bonds (distance) C4'-P energy: -89.777
bonds (distance) P-C4' energy: -99.909
flat angles C4'-P-C4' energy: -80.287
flat angles P-C4'-P energy: -53.928
tors. eta vs tors. theta energy: 22.449
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: 1, replica: 9
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1897.724432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.724432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.724432 (E_RNA)
where:
Base-Base interactions energy: -1310.725
where: short stacking energy: -540.030
Base-Backbone interact. energy: -1.915
local terms energy: -585.084003
where:
bonds (distance) C4'-P energy: -105.268
bonds (distance) P-C4' energy: -121.430
flat angles C4'-P-C4' energy: -133.218
flat angles P-C4'-P energy: -86.084
tors. eta vs tors. theta energy: -139.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1698.682913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.682913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.682913 (E_RNA)
where:
Base-Base interactions energy: -1099.223
where: short stacking energy: -498.096
Base-Backbone interact. energy: -4.638
local terms energy: -594.822004
where:
bonds (distance) C4'-P energy: -127.104
bonds (distance) P-C4' energy: -107.591
flat angles C4'-P-C4' energy: -124.376
flat angles P-C4'-P energy: -91.604
tors. eta vs tors. theta energy: -144.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1714.416769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.416769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.416769 (E_RNA)
where:
Base-Base interactions energy: -1131.807
where: short stacking energy: -502.779
Base-Backbone interact. energy: -4.755
local terms energy: -577.854648
where:
bonds (distance) C4'-P energy: -119.078
bonds (distance) P-C4' energy: -121.398
flat angles C4'-P-C4' energy: -113.296
flat angles P-C4'-P energy: -80.427
tors. eta vs tors. theta energy: -143.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1603.810921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.810921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.810921 (E_RNA)
where:
Base-Base interactions energy: -1036.331
where: short stacking energy: -462.607
Base-Backbone interact. energy: -2.065
local terms energy: -565.414787
where:
bonds (distance) C4'-P energy: -109.192
bonds (distance) P-C4' energy: -113.777
flat angles C4'-P-C4' energy: -125.871
flat angles P-C4'-P energy: -81.280
tors. eta vs tors. theta energy: -135.295
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: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1510.101828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.101828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.101828 (E_RNA)
where:
Base-Base interactions energy: -1008.493
where: short stacking energy: -419.445
Base-Backbone interact. energy: 1.208
local terms energy: -502.817259
where:
bonds (distance) C4'-P energy: -103.720
bonds (distance) P-C4' energy: -113.622
flat angles C4'-P-C4' energy: -106.771
flat angles P-C4'-P energy: -73.430
tors. eta vs tors. theta energy: -105.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1341.929724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.929724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.929724 (E_RNA)
where:
Base-Base interactions energy: -876.207
where: short stacking energy: -376.897
Base-Backbone interact. energy: -1.777
local terms energy: -463.945311
where:
bonds (distance) C4'-P energy: -92.748
bonds (distance) P-C4' energy: -105.128
flat angles C4'-P-C4' energy: -106.469
flat angles P-C4'-P energy: -66.687
tors. eta vs tors. theta energy: -92.913
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: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -949.744723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.744723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.744723 (E_RNA)
where:
Base-Base interactions energy: -545.931
where: short stacking energy: -250.506
Base-Backbone interact. energy: 0.917
local terms energy: -404.731556
where:
bonds (distance) C4'-P energy: -102.747
bonds (distance) P-C4' energy: -101.451
flat angles C4'-P-C4' energy: -98.062
flat angles P-C4'-P energy: -75.710
tors. eta vs tors. theta energy: -26.762
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: 1
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -718.675075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.675075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.675075 (E_RNA)
where:
Base-Base interactions energy: -381.551
where: short stacking energy: -216.311
Base-Backbone interact. energy: -1.273
local terms energy: -335.850702
where:
bonds (distance) C4'-P energy: -82.451
bonds (distance) P-C4' energy: -84.178
flat angles C4'-P-C4' energy: -81.009
flat angles P-C4'-P energy: -64.154
tors. eta vs tors. theta energy: -24.058
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: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -643.134778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.134778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.134778 (E_RNA)
where:
Base-Base interactions energy: -331.247
where: short stacking energy: -173.932
Base-Backbone interact. energy: 5.757
local terms energy: -317.644261
where:
bonds (distance) C4'-P energy: -96.334
bonds (distance) P-C4' energy: -105.830
flat angles C4'-P-C4' energy: -65.357
flat angles P-C4'-P energy: -48.706
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -469.184325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.184325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.184325 (E_RNA)
where:
Base-Base interactions energy: -178.186
where: short stacking energy: -137.416
Base-Backbone interact. energy: -1.845
local terms energy: -289.153492
where:
bonds (distance) C4'-P energy: -96.920
bonds (distance) P-C4' energy: -102.105
flat angles C4'-P-C4' energy: -50.215
flat angles P-C4'-P energy: -49.365
tors. eta vs tors. theta energy: 9.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1913.829829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.829829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.829829 (E_RNA)
where:
Base-Base interactions energy: -1301.833
where: short stacking energy: -544.367
Base-Backbone interact. energy: -4.187
local terms energy: -607.809657
where:
bonds (distance) C4'-P energy: -118.216
bonds (distance) P-C4' energy: -124.471
flat angles C4'-P-C4' energy: -131.699
flat angles P-C4'-P energy: -84.079
tors. eta vs tors. theta energy: -149.344
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: 8
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1779.122797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.122797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.122797 (E_RNA)
where:
Base-Base interactions energy: -1205.574
where: short stacking energy: -522.309
Base-Backbone interact. energy: -3.235
local terms energy: -570.313764
where:
bonds (distance) C4'-P energy: -108.083
bonds (distance) P-C4' energy: -100.182
flat angles C4'-P-C4' energy: -128.398
flat angles P-C4'-P energy: -85.885
tors. eta vs tors. theta energy: -147.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1672.052076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.052076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.052076 (E_RNA)
where:
Base-Base interactions energy: -1129.441
where: short stacking energy: -510.202
Base-Backbone interact. energy: -1.118
local terms energy: -541.492499
where:
bonds (distance) C4'-P energy: -107.769
bonds (distance) P-C4' energy: -86.657
flat angles C4'-P-C4' energy: -127.367
flat angles P-C4'-P energy: -82.385
tors. eta vs tors. theta energy: -137.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1589.239357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.239357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.239357 (E_RNA)
where:
Base-Base interactions energy: -1049.821
where: short stacking energy: -459.105
Base-Backbone interact. energy: -3.720
local terms energy: -535.698584
where:
bonds (distance) C4'-P energy: -102.003
bonds (distance) P-C4' energy: -115.189
flat angles C4'-P-C4' energy: -117.178
flat angles P-C4'-P energy: -80.956
tors. eta vs tors. theta energy: -120.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1590.070357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.070357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.070357 (E_RNA)
where:
Base-Base interactions energy: -1071.665
where: short stacking energy: -493.933
Base-Backbone interact. energy: 1.026
local terms energy: -519.432015
where:
bonds (distance) C4'-P energy: -102.476
bonds (distance) P-C4' energy: -98.966
flat angles C4'-P-C4' energy: -111.183
flat angles P-C4'-P energy: -67.506
tors. eta vs tors. theta energy: -139.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1232.588372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.588372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.588372 (E_RNA)
where:
Base-Base interactions energy: -785.702
where: short stacking energy: -313.890
Base-Backbone interact. energy: 4.641
local terms energy: -451.526936
where:
bonds (distance) C4'-P energy: -114.608
bonds (distance) P-C4' energy: -104.431
flat angles C4'-P-C4' energy: -100.599
flat angles P-C4'-P energy: -69.785
tors. eta vs tors. theta energy: -62.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -953.405564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.405564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.405564 (E_RNA)
where:
Base-Base interactions energy: -538.333
where: short stacking energy: -280.263
Base-Backbone interact. energy: 0.206
local terms energy: -415.279162
where:
bonds (distance) C4'-P energy: -100.898
bonds (distance) P-C4' energy: -102.509
flat angles C4'-P-C4' energy: -88.919
flat angles P-C4'-P energy: -67.141
tors. eta vs tors. theta energy: -55.812
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: 1
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -750.341222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.341222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.341222 (E_RNA)
where:
Base-Base interactions energy: -379.917
where: short stacking energy: -233.059
Base-Backbone interact. energy: 0.623
local terms energy: -371.046703
where:
bonds (distance) C4'-P energy: -98.206
bonds (distance) P-C4' energy: -88.994
flat angles C4'-P-C4' energy: -103.859
flat angles P-C4'-P energy: -59.489
tors. eta vs tors. theta energy: -20.499
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: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -703.873919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.873919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.873919 (E_RNA)
where:
Base-Base interactions energy: -336.717
where: short stacking energy: -203.901
Base-Backbone interact. energy: 0.323
local terms energy: -367.480727
where:
bonds (distance) C4'-P energy: -109.791
bonds (distance) P-C4' energy: -100.048
flat angles C4'-P-C4' energy: -91.431
flat angles P-C4'-P energy: -67.104
tors. eta vs tors. theta energy: 0.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -442.872970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.872970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.872970 (E_RNA)
where:
Base-Base interactions energy: -146.280
where: short stacking energy: -130.089
Base-Backbone interact. energy: -0.657
local terms energy: -295.935635
where:
bonds (distance) C4'-P energy: -83.531
bonds (distance) P-C4' energy: -90.839
flat angles C4'-P-C4' energy: -95.342
flat angles P-C4'-P energy: -48.107
tors. eta vs tors. theta energy: 21.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1907.999780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.999780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.999780 (E_RNA)
where:
Base-Base interactions energy: -1309.338
where: short stacking energy: -544.623
Base-Backbone interact. energy: -0.629
local terms energy: -598.032985
where:
bonds (distance) C4'-P energy: -113.435
bonds (distance) P-C4' energy: -117.207
flat angles C4'-P-C4' energy: -130.665
flat angles P-C4'-P energy: -89.241
tors. eta vs tors. theta energy: -147.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1793.657977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.657977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.657977 (E_RNA)
where:
Base-Base interactions energy: -1231.472
where: short stacking energy: -530.495
Base-Backbone interact. energy: -0.950
local terms energy: -561.235496
where:
bonds (distance) C4'-P energy: -107.349
bonds (distance) P-C4' energy: -114.169
flat angles C4'-P-C4' energy: -124.566
flat angles P-C4'-P energy: -73.067
tors. eta vs tors. theta energy: -142.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1660.067572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.067572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.067572 (E_RNA)
where:
Base-Base interactions energy: -1100.546
where: short stacking energy: -496.933
Base-Backbone interact. energy: -2.836
local terms energy: -556.685393
where:
bonds (distance) C4'-P energy: -98.710
bonds (distance) P-C4' energy: -102.099
flat angles C4'-P-C4' energy: -136.040
flat angles P-C4'-P energy: -81.845
tors. eta vs tors. theta energy: -137.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1586.580059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.580059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.580059 (E_RNA)
where:
Base-Base interactions energy: -1073.720
where: short stacking energy: -433.254
Base-Backbone interact. energy: -1.424
local terms energy: -511.435634
where:
bonds (distance) C4'-P energy: -106.536
bonds (distance) P-C4' energy: -111.337
flat angles C4'-P-C4' energy: -101.881
flat angles P-C4'-P energy: -79.503
tors. eta vs tors. theta energy: -112.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1591.219590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.219590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.219590 (E_RNA)
where:
Base-Base interactions energy: -1082.377
where: short stacking energy: -449.843
Base-Backbone interact. energy: -1.397
local terms energy: -507.445713
where:
bonds (distance) C4'-P energy: -111.520
bonds (distance) P-C4' energy: -93.282
flat angles C4'-P-C4' energy: -120.786
flat angles P-C4'-P energy: -62.235
tors. eta vs tors. theta energy: -119.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1254.153390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.153390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.153390 (E_RNA)
where:
Base-Base interactions energy: -825.603
where: short stacking energy: -369.589
Base-Backbone interact. energy: -4.441
local terms energy: -424.109908
where:
bonds (distance) C4'-P energy: -105.320
bonds (distance) P-C4' energy: -85.957
flat angles C4'-P-C4' energy: -93.862
flat angles P-C4'-P energy: -71.329
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: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -969.444751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.444751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.444751 (E_RNA)
where:
Base-Base interactions energy: -551.907
where: short stacking energy: -301.940
Base-Backbone interact. energy: 0.186
local terms energy: -417.723492
where:
bonds (distance) C4'-P energy: -105.743
bonds (distance) P-C4' energy: -108.213
flat angles C4'-P-C4' energy: -84.585
flat angles P-C4'-P energy: -62.716
tors. eta vs tors. theta energy: -56.467
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: 1
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -693.170804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.170804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.170804 (E_RNA)
where:
Base-Base interactions energy: -348.668
where: short stacking energy: -182.809
Base-Backbone interact. energy: 0.354
local terms energy: -344.857498
where:
bonds (distance) C4'-P energy: -101.202
bonds (distance) P-C4' energy: -92.033
flat angles C4'-P-C4' energy: -93.435
flat angles P-C4'-P energy: -60.578
tors. eta vs tors. theta energy: 2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -681.154164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.154164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.154164 (E_RNA)
where:
Base-Base interactions energy: -348.192
where: short stacking energy: -199.623
Base-Backbone interact. energy: -1.949
local terms energy: -331.013088
where:
bonds (distance) C4'-P energy: -97.576
bonds (distance) P-C4' energy: -97.816
flat angles C4'-P-C4' energy: -80.696
flat angles P-C4'-P energy: -52.354
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -447.314561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.314561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.314561 (E_RNA)
where:
Base-Base interactions energy: -160.275
where: short stacking energy: -138.997
Base-Backbone interact. energy: 6.031
local terms energy: -293.070674
where:
bonds (distance) C4'-P energy: -91.841
bonds (distance) P-C4' energy: -114.352
flat angles C4'-P-C4' energy: -76.810
flat angles P-C4'-P energy: -40.052
tors. eta vs tors. theta energy: 29.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1904.130108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.130108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.130108 (E_RNA)
where:
Base-Base interactions energy: -1315.707
where: short stacking energy: -544.615
Base-Backbone interact. energy: -2.135
local terms energy: -586.287507
where:
bonds (distance) C4'-P energy: -114.106
bonds (distance) P-C4' energy: -125.035
flat angles C4'-P-C4' energy: -129.897
flat angles P-C4'-P energy: -80.977
tors. eta vs tors. theta energy: -136.272
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: 8
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1802.048285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.048285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.048285 (E_RNA)
where:
Base-Base interactions energy: -1243.825
where: short stacking energy: -525.996
Base-Backbone interact. energy: -1.252
local terms energy: -556.971588
where:
bonds (distance) C4'-P energy: -109.183
bonds (distance) P-C4' energy: -95.612
flat angles C4'-P-C4' energy: -132.795
flat angles P-C4'-P energy: -68.545
tors. eta vs tors. theta energy: -150.837
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: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1641.266720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.266720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.266720 (E_RNA)
where:
Base-Base interactions energy: -1088.428
where: short stacking energy: -476.917
Base-Backbone interact. energy: -1.895
local terms energy: -550.943166
where:
bonds (distance) C4'-P energy: -117.388
bonds (distance) P-C4' energy: -113.601
flat angles C4'-P-C4' energy: -119.044
flat angles P-C4'-P energy: -79.151
tors. eta vs tors. theta energy: -121.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1662.768084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.768084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.768084 (E_RNA)
where:
Base-Base interactions energy: -1117.344
where: short stacking energy: -497.037
Base-Backbone interact. energy: 5.331
local terms energy: -550.755218
where:
bonds (distance) C4'-P energy: -110.272
bonds (distance) P-C4' energy: -95.458
flat angles C4'-P-C4' energy: -116.220
flat angles P-C4'-P energy: -84.243
tors. eta vs tors. theta energy: -144.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1539.496600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.496600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.496600 (E_RNA)
where:
Base-Base interactions energy: -1018.994
where: short stacking energy: -424.446
Base-Backbone interact. energy: 1.880
local terms energy: -522.382610
where:
bonds (distance) C4'-P energy: -119.879
bonds (distance) P-C4' energy: -109.411
flat angles C4'-P-C4' energy: -112.120
flat angles P-C4'-P energy: -74.446
tors. eta vs tors. theta energy: -106.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1192.861920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.861920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.861920 (E_RNA)
where:
Base-Base interactions energy: -764.955
where: short stacking energy: -344.683
Base-Backbone interact. energy: -0.065
local terms energy: -427.842185
where:
bonds (distance) C4'-P energy: -89.990
bonds (distance) P-C4' energy: -114.912
flat angles C4'-P-C4' energy: -89.284
flat angles P-C4'-P energy: -60.435
tors. eta vs tors. theta energy: -73.220
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: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -974.605049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.605049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.605049 (E_RNA)
where:
Base-Base interactions energy: -550.574
where: short stacking energy: -274.473
Base-Backbone interact. energy: 0.760
local terms energy: -424.790697
where:
bonds (distance) C4'-P energy: -104.860
bonds (distance) P-C4' energy: -91.458
flat angles C4'-P-C4' energy: -111.731
flat angles P-C4'-P energy: -68.248
tors. eta vs tors. theta energy: -48.492
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: 1
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -764.093594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.093594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.093594 (E_RNA)
where:
Base-Base interactions energy: -419.156
where: short stacking energy: -211.810
Base-Backbone interact. energy: -3.316
local terms energy: -341.620916
where:
bonds (distance) C4'-P energy: -92.020
bonds (distance) P-C4' energy: -103.089
flat angles C4'-P-C4' energy: -96.534
flat angles P-C4'-P energy: -36.775
tors. eta vs tors. theta energy: -13.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -667.976524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.976524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.976524 (E_RNA)
where:
Base-Base interactions energy: -340.296
where: short stacking energy: -191.760
Base-Backbone interact. energy: 0.201
local terms energy: -327.882178
where:
bonds (distance) C4'-P energy: -103.747
bonds (distance) P-C4' energy: -90.802
flat angles C4'-P-C4' energy: -69.239
flat angles P-C4'-P energy: -47.682
tors. eta vs tors. theta energy: -16.412
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: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -440.878846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.878846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.878846 (E_RNA)
where:
Base-Base interactions energy: -142.385
where: short stacking energy: -135.198
Base-Backbone interact. energy: 3.359
local terms energy: -301.852294
where:
bonds (distance) C4'-P energy: -97.691
bonds (distance) P-C4' energy: -103.553
flat angles C4'-P-C4' energy: -78.417
flat angles P-C4'-P energy: -37.173
tors. eta vs tors. theta energy: 14.981
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: 78
Temperature: 0.900000
Total energy: -1926.364940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.364940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.364940 (E_RNA)
where:
Base-Base interactions energy: -1314.207
where: short stacking energy: -547.378
Base-Backbone interact. energy: -1.415
local terms energy: -610.742364
where:
bonds (distance) C4'-P energy: -117.860
bonds (distance) P-C4' energy: -127.101
flat angles C4'-P-C4' energy: -137.524
flat angles P-C4'-P energy: -72.526
tors. eta vs tors. theta energy: -155.732
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: 8
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1788.187492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.187492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.187492 (E_RNA)
where:
Base-Base interactions energy: -1187.471
where: short stacking energy: -516.876
Base-Backbone interact. energy: 0.362
local terms energy: -601.078018
where:
bonds (distance) C4'-P energy: -114.953
bonds (distance) P-C4' energy: -111.206
flat angles C4'-P-C4' energy: -131.424
flat angles P-C4'-P energy: -83.024
tors. eta vs tors. theta energy: -160.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1704.849269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.849269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.849269 (E_RNA)
where:
Base-Base interactions energy: -1163.491
where: short stacking energy: -522.740
Base-Backbone interact. energy: -3.073
local terms energy: -538.284846
where:
bonds (distance) C4'-P energy: -119.832
bonds (distance) P-C4' energy: -105.735
flat angles C4'-P-C4' energy: -108.928
flat angles P-C4'-P energy: -73.553
tors. eta vs tors. theta energy: -130.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1588.230419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.230419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.230419 (E_RNA)
where:
Base-Base interactions energy: -1068.750
where: short stacking energy: -484.552
Base-Backbone interact. energy: -0.028
local terms energy: -519.452202
where:
bonds (distance) C4'-P energy: -107.164
bonds (distance) P-C4' energy: -102.780
flat angles C4'-P-C4' energy: -109.887
flat angles P-C4'-P energy: -76.212
tors. eta vs tors. theta energy: -123.409
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: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1497.349695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.349695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.349695 (E_RNA)
where:
Base-Base interactions energy: -1004.326
where: short stacking energy: -458.991
Base-Backbone interact. energy: -2.548
local terms energy: -490.476045
where:
bonds (distance) C4'-P energy: -92.683
bonds (distance) P-C4' energy: -107.427
flat angles C4'-P-C4' energy: -108.492
flat angles P-C4'-P energy: -66.164
tors. eta vs tors. theta energy: -115.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1216.449607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.449607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.449607 (E_RNA)
where:
Base-Base interactions energy: -769.617
where: short stacking energy: -355.960
Base-Backbone interact. energy: -1.449
local terms energy: -445.383119
where:
bonds (distance) C4'-P energy: -84.280
bonds (distance) P-C4' energy: -112.147
flat angles C4'-P-C4' energy: -96.273
flat angles P-C4'-P energy: -67.205
tors. eta vs tors. theta energy: -85.478
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: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -962.283753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.283753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.283753 (E_RNA)
where:
Base-Base interactions energy: -571.186
where: short stacking energy: -284.963
Base-Backbone interact. energy: 0.015
local terms energy: -391.113143
where:
bonds (distance) C4'-P energy: -76.933
bonds (distance) P-C4' energy: -109.659
flat angles C4'-P-C4' energy: -101.932
flat angles P-C4'-P energy: -69.230
tors. eta vs tors. theta energy: -33.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -730.071363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.071363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.071363 (E_RNA)
where:
Base-Base interactions energy: -369.187
where: short stacking energy: -184.914
Base-Backbone interact. energy: 2.853
local terms energy: -363.737950
where:
bonds (distance) C4'-P energy: -93.540
bonds (distance) P-C4' energy: -108.868
flat angles C4'-P-C4' energy: -86.984
flat angles P-C4'-P energy: -65.521
tors. eta vs tors. theta energy: -8.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -698.070743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.070743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.070743 (E_RNA)
where:
Base-Base interactions energy: -357.840
where: short stacking energy: -211.119
Base-Backbone interact. energy: 1.935
local terms energy: -342.166109
where:
bonds (distance) C4'-P energy: -92.410
bonds (distance) P-C4' energy: -95.179
flat angles C4'-P-C4' energy: -85.325
flat angles P-C4'-P energy: -47.580
tors. eta vs tors. theta energy: -21.672
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: 4
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -444.509183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.509183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.509183 (E_RNA)
where:
Base-Base interactions energy: -117.187
where: short stacking energy: -115.132
Base-Backbone interact. energy: 3.026
local terms energy: -330.348519
where:
bonds (distance) C4'-P energy: -100.533
bonds (distance) P-C4' energy: -113.977
flat angles C4'-P-C4' energy: -98.142
flat angles P-C4'-P energy: -50.950
tors. eta vs tors. theta energy: 33.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1912.460071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.460071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.460071 (E_RNA)
where:
Base-Base interactions energy: -1322.753
where: short stacking energy: -512.392
Base-Backbone interact. energy: -1.434
local terms energy: -588.272781
where:
bonds (distance) C4'-P energy: -117.434
bonds (distance) P-C4' energy: -108.885
flat angles C4'-P-C4' energy: -130.956
flat angles P-C4'-P energy: -85.580
tors. eta vs tors. theta energy: -145.418
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: 8
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1817.238077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.238077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.238077 (E_RNA)
where:
Base-Base interactions energy: -1206.075
where: short stacking energy: -527.534
Base-Backbone interact. energy: 0.167
local terms energy: -611.329828
where:
bonds (distance) C4'-P energy: -117.144
bonds (distance) P-C4' energy: -109.518
flat angles C4'-P-C4' energy: -136.919
flat angles P-C4'-P energy: -92.926
tors. eta vs tors. theta energy: -154.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1708.390041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.390041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.390041 (E_RNA)
where:
Base-Base interactions energy: -1161.479
where: short stacking energy: -503.828
Base-Backbone interact. energy: -1.592
local terms energy: -545.319422
where:
bonds (distance) C4'-P energy: -119.254
bonds (distance) P-C4' energy: -115.182
flat angles C4'-P-C4' energy: -105.277
flat angles P-C4'-P energy: -76.702
tors. eta vs tors. theta energy: -128.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1561.444105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.444105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.444105 (E_RNA)
where:
Base-Base interactions energy: -1033.125
where: short stacking energy: -451.905
Base-Backbone interact. energy: 7.359
local terms energy: -535.677328
where:
bonds (distance) C4'-P energy: -112.418
bonds (distance) P-C4' energy: -109.431
flat angles C4'-P-C4' energy: -118.397
flat angles P-C4'-P energy: -76.470
tors. eta vs tors. theta energy: -118.962
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: 79
Temperature: 1.100000
Total energy: -1526.083350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.083350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.083350 (E_RNA)
where:
Base-Base interactions energy: -1029.753
where: short stacking energy: -429.819
Base-Backbone interact. energy: -0.696
local terms energy: -495.634286
where:
bonds (distance) C4'-P energy: -94.793
bonds (distance) P-C4' energy: -104.363
flat angles C4'-P-C4' energy: -116.727
flat angles P-C4'-P energy: -72.720
tors. eta vs tors. theta energy: -107.031
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: 6, replica: 2
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1231.801778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.801778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.801778 (E_RNA)
where:
Base-Base interactions energy: -754.010
where: short stacking energy: -345.208
Base-Backbone interact. energy: -0.161
local terms energy: -477.630749
where:
bonds (distance) C4'-P energy: -118.786
bonds (distance) P-C4' energy: -105.329
flat angles C4'-P-C4' energy: -119.166
flat angles P-C4'-P energy: -53.545
tors. eta vs tors. theta energy: -80.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -960.019896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.019896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.019896 (E_RNA)
where:
Base-Base interactions energy: -529.331
where: short stacking energy: -289.102
Base-Backbone interact. energy: -0.888
local terms energy: -429.800521
where:
bonds (distance) C4'-P energy: -99.766
bonds (distance) P-C4' energy: -102.705
flat angles C4'-P-C4' energy: -104.388
flat angles P-C4'-P energy: -75.878
tors. eta vs tors. theta energy: -47.063
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: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -786.757229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.757229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.757229 (E_RNA)
where:
Base-Base interactions energy: -391.384
where: short stacking energy: -214.572
Base-Backbone interact. energy: -3.633
local terms energy: -391.740537
where:
bonds (distance) C4'-P energy: -98.841
bonds (distance) P-C4' energy: -105.692
flat angles C4'-P-C4' energy: -103.400
flat angles P-C4'-P energy: -56.170
tors. eta vs tors. theta energy: -27.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -635.818955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.818955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.818955 (E_RNA)
where:
Base-Base interactions energy: -317.459
where: short stacking energy: -158.593
Base-Backbone interact. energy: 1.601
local terms energy: -319.960995
where:
bonds (distance) C4'-P energy: -100.923
bonds (distance) P-C4' energy: -84.193
flat angles C4'-P-C4' energy: -85.806
flat angles P-C4'-P energy: -58.341
tors. eta vs tors. theta energy: 9.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -436.284384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.284384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.284384 (E_RNA)
where:
Base-Base interactions energy: -174.294
where: short stacking energy: -137.194
Base-Backbone interact. energy: -4.576
local terms energy: -257.414142
where:
bonds (distance) C4'-P energy: -89.887
bonds (distance) P-C4' energy: -92.638
flat angles C4'-P-C4' energy: -76.386
flat angles P-C4'-P energy: -34.776
tors. eta vs tors. theta energy: 36.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1924.305173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.305173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.305173 (E_RNA)
where:
Base-Base interactions energy: -1315.817
where: short stacking energy: -538.858
Base-Backbone interact. energy: -1.417
local terms energy: -607.071065
where:
bonds (distance) C4'-P energy: -116.263
bonds (distance) P-C4' energy: -114.611
flat angles C4'-P-C4' energy: -134.154
flat angles P-C4'-P energy: -86.867
tors. eta vs tors. theta energy: -155.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1813.723980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.723980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.723980 (E_RNA)
where:
Base-Base interactions energy: -1219.273
where: short stacking energy: -537.096
Base-Backbone interact. energy: 2.744
local terms energy: -597.195253
where:
bonds (distance) C4'-P energy: -119.981
bonds (distance) P-C4' energy: -112.636
flat angles C4'-P-C4' energy: -131.036
flat angles P-C4'-P energy: -83.204
tors. eta vs tors. theta energy: -150.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1671.394216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.394216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.394216 (E_RNA)
where:
Base-Base interactions energy: -1124.005
where: short stacking energy: -494.577
Base-Backbone interact. energy: -0.249
local terms energy: -547.140418
where:
bonds (distance) C4'-P energy: -103.289
bonds (distance) P-C4' energy: -111.866
flat angles C4'-P-C4' energy: -117.208
flat angles P-C4'-P energy: -69.945
tors. eta vs tors. theta energy: -144.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1519.448744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.448744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.448744 (E_RNA)
where:
Base-Base interactions energy: -982.787
where: short stacking energy: -433.178
Base-Backbone interact. energy: -0.806
local terms energy: -535.855113
where:
bonds (distance) C4'-P energy: -110.725
bonds (distance) P-C4' energy: -109.853
flat angles C4'-P-C4' energy: -114.492
flat angles P-C4'-P energy: -79.469
tors. eta vs tors. theta energy: -121.317
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: 7
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1573.824031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.824031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.824031 (E_RNA)
where:
Base-Base interactions energy: -1033.288
where: short stacking energy: -437.307
Base-Backbone interact. energy: -1.221
local terms energy: -539.315027
where:
bonds (distance) C4'-P energy: -91.662
bonds (distance) P-C4' energy: -116.113
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -85.754
tors. eta vs tors. theta energy: -133.915
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: 6, replica: 2
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1247.734402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.734402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.734402 (E_RNA)
where:
Base-Base interactions energy: -787.726
where: short stacking energy: -360.861
Base-Backbone interact. energy: -2.357
local terms energy: -457.651310
where:
bonds (distance) C4'-P energy: -103.876
bonds (distance) P-C4' energy: -97.244
flat angles C4'-P-C4' energy: -99.114
flat angles P-C4'-P energy: -65.984
tors. eta vs tors. theta energy: -91.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1044.828817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.828817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.828817 (E_RNA)
where:
Base-Base interactions energy: -636.429
where: short stacking energy: -322.420
Base-Backbone interact. energy: -1.147
local terms energy: -407.253149
where:
bonds (distance) C4'-P energy: -96.622
bonds (distance) P-C4' energy: -96.159
flat angles C4'-P-C4' energy: -99.689
flat angles P-C4'-P energy: -74.523
tors. eta vs tors. theta energy: -40.260
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: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -808.459094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.459094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.459094 (E_RNA)
where:
Base-Base interactions energy: -429.968
where: short stacking energy: -244.821
Base-Backbone interact. energy: 0.351
local terms energy: -378.842329
where:
bonds (distance) C4'-P energy: -84.901
bonds (distance) P-C4' energy: -87.457
flat angles C4'-P-C4' energy: -96.848
flat angles P-C4'-P energy: -70.982
tors. eta vs tors. theta energy: -38.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -581.351449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.351449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.351449 (E_RNA)
where:
Base-Base interactions energy: -243.268
where: short stacking energy: -136.795
Base-Backbone interact. energy: 0.568
local terms energy: -338.652295
where:
bonds (distance) C4'-P energy: -113.404
bonds (distance) P-C4' energy: -102.072
flat angles C4'-P-C4' energy: -87.951
flat angles P-C4'-P energy: -52.183
tors. eta vs tors. theta energy: 16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -483.775479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.775479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.775479 (E_RNA)
where:
Base-Base interactions energy: -181.113
where: short stacking energy: -151.220
Base-Backbone interact. energy: 0.762
local terms energy: -303.424646
where:
bonds (distance) C4'-P energy: -102.196
bonds (distance) P-C4' energy: -102.659
flat angles C4'-P-C4' energy: -63.305
flat angles P-C4'-P energy: -28.189
tors. eta vs tors. theta energy: -7.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1921.931397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.931397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.931397 (E_RNA)
where:
Base-Base interactions energy: -1313.949
where: short stacking energy: -538.226
Base-Backbone interact. energy: -4.677
local terms energy: -603.304465
where:
bonds (distance) C4'-P energy: -114.884
bonds (distance) P-C4' energy: -115.163
flat angles C4'-P-C4' energy: -128.843
flat angles P-C4'-P energy: -92.787
tors. eta vs tors. theta energy: -151.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1803.739549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.739549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.739549 (E_RNA)
where:
Base-Base interactions energy: -1215.019
where: short stacking energy: -538.727
Base-Backbone interact. energy: -0.131
local terms energy: -588.589680
where:
bonds (distance) C4'-P energy: -112.150
bonds (distance) P-C4' energy: -110.854
flat angles C4'-P-C4' energy: -128.516
flat angles P-C4'-P energy: -74.800
tors. eta vs tors. theta energy: -162.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1705.213395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.213395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.213395 (E_RNA)
where:
Base-Base interactions energy: -1143.856
where: short stacking energy: -510.431
Base-Backbone interact. energy: -1.318
local terms energy: -560.039393
where:
bonds (distance) C4'-P energy: -100.167
bonds (distance) P-C4' energy: -116.575
flat angles C4'-P-C4' energy: -123.617
flat angles P-C4'-P energy: -77.253
tors. eta vs tors. theta energy: -142.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1604.053901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.053901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.053901 (E_RNA)
where:
Base-Base interactions energy: -1075.878
where: short stacking energy: -474.884
Base-Backbone interact. energy: -3.469
local terms energy: -524.706349
where:
bonds (distance) C4'-P energy: -112.330
bonds (distance) P-C4' energy: -98.684
flat angles C4'-P-C4' energy: -119.414
flat angles P-C4'-P energy: -74.435
tors. eta vs tors. theta energy: -119.844
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: 81
Temperature: 1.100000
Total energy: -1504.451257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.451257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.451257 (E_RNA)
where:
Base-Base interactions energy: -1005.773
where: short stacking energy: -448.324
Base-Backbone interact. energy: -0.295
local terms energy: -498.383056
where:
bonds (distance) C4'-P energy: -94.844
bonds (distance) P-C4' energy: -92.415
flat angles C4'-P-C4' energy: -123.816
flat angles P-C4'-P energy: -63.901
tors. eta vs tors. theta energy: -123.406
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: 2
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1231.994552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.994552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.994552 (E_RNA)
where:
Base-Base interactions energy: -747.620
where: short stacking energy: -347.460
Base-Backbone interact. energy: -1.622
local terms energy: -482.752152
where:
bonds (distance) C4'-P energy: -99.415
bonds (distance) P-C4' energy: -104.432
flat angles C4'-P-C4' energy: -119.421
flat angles P-C4'-P energy: -76.081
tors. eta vs tors. theta energy: -83.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1013.248475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.248475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.248475 (E_RNA)
where:
Base-Base interactions energy: -584.065
where: short stacking energy: -289.383
Base-Backbone interact. energy: -0.272
local terms energy: -428.911180
where:
bonds (distance) C4'-P energy: -97.628
bonds (distance) P-C4' energy: -110.294
flat angles C4'-P-C4' energy: -105.446
flat angles P-C4'-P energy: -58.247
tors. eta vs tors. theta energy: -57.296
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: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -718.043431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.043431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.043431 (E_RNA)
where:
Base-Base interactions energy: -396.731
where: short stacking energy: -227.258
Base-Backbone interact. energy: 3.417
local terms energy: -324.729309
where:
bonds (distance) C4'-P energy: -97.495
bonds (distance) P-C4' energy: -90.455
flat angles C4'-P-C4' energy: -76.162
flat angles P-C4'-P energy: -46.393
tors. eta vs tors. theta energy: -14.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -612.270325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.270325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.270325 (E_RNA)
where:
Base-Base interactions energy: -273.788
where: short stacking energy: -183.065
Base-Backbone interact. energy: -2.300
local terms energy: -336.182749
where:
bonds (distance) C4'-P energy: -92.450
bonds (distance) P-C4' energy: -97.005
flat angles C4'-P-C4' energy: -80.827
flat angles P-C4'-P energy: -66.443
tors. eta vs tors. theta energy: 0.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -458.863194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.863194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.863194 (E_RNA)
where:
Base-Base interactions energy: -173.299
where: short stacking energy: -155.482
Base-Backbone interact. energy: -0.874
local terms energy: -284.690326
where:
bonds (distance) C4'-P energy: -66.894
bonds (distance) P-C4' energy: -111.347
flat angles C4'-P-C4' energy: -70.242
flat angles P-C4'-P energy: -41.199
tors. eta vs tors. theta energy: 4.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1899.744483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.744483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.744483 (E_RNA)
where:
Base-Base interactions energy: -1295.843
where: short stacking energy: -515.807
Base-Backbone interact. energy: -1.539
local terms energy: -602.361955
where:
bonds (distance) C4'-P energy: -123.296
bonds (distance) P-C4' energy: -111.915
flat angles C4'-P-C4' energy: -138.578
flat angles P-C4'-P energy: -90.999
tors. eta vs tors. theta energy: -137.573
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: 8
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1808.973086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.973086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.973086 (E_RNA)
where:
Base-Base interactions energy: -1217.538
where: short stacking energy: -527.921
Base-Backbone interact. energy: -1.491
local terms energy: -589.944839
where:
bonds (distance) C4'-P energy: -106.895
bonds (distance) P-C4' energy: -125.574
flat angles C4'-P-C4' energy: -121.329
flat angles P-C4'-P energy: -80.055
tors. eta vs tors. theta energy: -156.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1662.204107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.204107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.204107 (E_RNA)
where:
Base-Base interactions energy: -1098.565
where: short stacking energy: -500.082
Base-Backbone interact. energy: -3.417
local terms energy: -560.222772
where:
bonds (distance) C4'-P energy: -97.123
bonds (distance) P-C4' energy: -113.080
flat angles C4'-P-C4' energy: -122.462
flat angles P-C4'-P energy: -80.473
tors. eta vs tors. theta energy: -147.085
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: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1622.744948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.744948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.744948 (E_RNA)
where:
Base-Base interactions energy: -1080.352
where: short stacking energy: -462.239
Base-Backbone interact. energy: 0.551
local terms energy: -542.943564
where:
bonds (distance) C4'-P energy: -121.053
bonds (distance) P-C4' energy: -102.189
flat angles C4'-P-C4' energy: -134.386
flat angles P-C4'-P energy: -71.227
tors. eta vs tors. theta energy: -114.088
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: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1404.157488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.157488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.157488 (E_RNA)
where:
Base-Base interactions energy: -921.956
where: short stacking energy: -405.604
Base-Backbone interact. energy: -5.482
local terms energy: -476.719187
where:
bonds (distance) C4'-P energy: -94.861
bonds (distance) P-C4' energy: -108.862
flat angles C4'-P-C4' energy: -102.992
flat angles P-C4'-P energy: -73.734
tors. eta vs tors. theta energy: -96.270
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: 82
Temperature: 1.150000
Total energy: -1158.975138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.975138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.975138 (E_RNA)
where:
Base-Base interactions energy: -729.126
where: short stacking energy: -336.403
Base-Backbone interact. energy: 6.983
local terms energy: -436.832446
where:
bonds (distance) C4'-P energy: -90.707
bonds (distance) P-C4' energy: -123.874
flat angles C4'-P-C4' energy: -93.971
flat angles P-C4'-P energy: -67.553
tors. eta vs tors. theta energy: -60.727
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: 82
Temperature: 1.200000
Total energy: -1003.491797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.491797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.491797 (E_RNA)
where:
Base-Base interactions energy: -595.337
where: short stacking energy: -307.771
Base-Backbone interact. energy: -0.869
local terms energy: -407.285523
where:
bonds (distance) C4'-P energy: -100.598
bonds (distance) P-C4' energy: -101.827
flat angles C4'-P-C4' energy: -105.448
flat angles P-C4'-P energy: -57.715
tors. eta vs tors. theta energy: -41.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -733.782621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.782621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.782621 (E_RNA)
where:
Base-Base interactions energy: -357.143
where: short stacking energy: -230.254
Base-Backbone interact. energy: -1.716
local terms energy: -374.923449
where:
bonds (distance) C4'-P energy: -87.466
bonds (distance) P-C4' energy: -104.320
flat angles C4'-P-C4' energy: -94.284
flat angles P-C4'-P energy: -58.542
tors. eta vs tors. theta energy: -30.312
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: 1
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -576.402261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.402261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.402261 (E_RNA)
where:
Base-Base interactions energy: -250.042
where: short stacking energy: -162.449
Base-Backbone interact. energy: -1.872
local terms energy: -324.488399
where:
bonds (distance) C4'-P energy: -88.451
bonds (distance) P-C4' energy: -106.233
flat angles C4'-P-C4' energy: -72.179
flat angles P-C4'-P energy: -56.969
tors. eta vs tors. theta energy: -0.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -446.100171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.100171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.100171 (E_RNA)
where:
Base-Base interactions energy: -155.511
where: short stacking energy: -128.362
Base-Backbone interact. energy: 4.043
local terms energy: -294.632116
where:
bonds (distance) C4'-P energy: -92.943
bonds (distance) P-C4' energy: -106.008
flat angles C4'-P-C4' energy: -80.056
flat angles P-C4'-P energy: -37.375
tors. eta vs tors. theta energy: 21.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1911.898481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.898481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.898481 (E_RNA)
where:
Base-Base interactions energy: -1341.612
where: short stacking energy: -545.427
Base-Backbone interact. energy: -3.098
local terms energy: -567.188248
where:
bonds (distance) C4'-P energy: -112.294
bonds (distance) P-C4' energy: -106.976
flat angles C4'-P-C4' energy: -125.582
flat angles P-C4'-P energy: -85.925
tors. eta vs tors. theta energy: -136.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1828.644591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.644591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.644591 (E_RNA)
where:
Base-Base interactions energy: -1221.762
where: short stacking energy: -556.265
Base-Backbone interact. energy: -0.855
local terms energy: -606.027788
where:
bonds (distance) C4'-P energy: -102.526
bonds (distance) P-C4' energy: -121.175
flat angles C4'-P-C4' energy: -136.059
flat angles P-C4'-P energy: -79.758
tors. eta vs tors. theta energy: -166.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1708.855954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.855954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.855954 (E_RNA)
where:
Base-Base interactions energy: -1130.437
where: short stacking energy: -497.867
Base-Backbone interact. energy: -2.164
local terms energy: -576.254875
where:
bonds (distance) C4'-P energy: -123.083
bonds (distance) P-C4' energy: -98.800
flat angles C4'-P-C4' energy: -118.454
flat angles P-C4'-P energy: -74.947
tors. eta vs tors. theta energy: -160.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1632.483095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.483095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.483095 (E_RNA)
where:
Base-Base interactions energy: -1091.844
where: short stacking energy: -468.110
Base-Backbone interact. energy: -4.612
local terms energy: -536.026986
where:
bonds (distance) C4'-P energy: -109.754
bonds (distance) P-C4' energy: -106.189
flat angles C4'-P-C4' energy: -109.421
flat angles P-C4'-P energy: -81.181
tors. eta vs tors. theta energy: -129.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1386.101594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.101594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.101594 (E_RNA)
where:
Base-Base interactions energy: -902.482
where: short stacking energy: -396.026
Base-Backbone interact. energy: -1.765
local terms energy: -481.855293
where:
bonds (distance) C4'-P energy: -94.905
bonds (distance) P-C4' energy: -109.478
flat angles C4'-P-C4' energy: -105.017
flat angles P-C4'-P energy: -64.200
tors. eta vs tors. theta energy: -108.256
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: 2
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1229.520728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.520728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.520728 (E_RNA)
where:
Base-Base interactions energy: -782.090
where: short stacking energy: -350.606
Base-Backbone interact. energy: -0.829
local terms energy: -446.600837
where:
bonds (distance) C4'-P energy: -98.229
bonds (distance) P-C4' energy: -103.262
flat angles C4'-P-C4' energy: -104.970
flat angles P-C4'-P energy: -62.462
tors. eta vs tors. theta energy: -77.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1040.178117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.178117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.178117 (E_RNA)
where:
Base-Base interactions energy: -616.017
where: short stacking energy: -288.512
Base-Backbone interact. energy: -2.723
local terms energy: -421.438160
where:
bonds (distance) C4'-P energy: -106.271
bonds (distance) P-C4' energy: -111.199
flat angles C4'-P-C4' energy: -98.745
flat angles P-C4'-P energy: -53.518
tors. eta vs tors. theta energy: -51.705
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: 10
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -729.722778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.722778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.722778 (E_RNA)
where:
Base-Base interactions energy: -362.116
where: short stacking energy: -214.717
Base-Backbone interact. energy: -3.045
local terms energy: -364.560915
where:
bonds (distance) C4'-P energy: -78.625
bonds (distance) P-C4' energy: -121.569
flat angles C4'-P-C4' energy: -92.725
flat angles P-C4'-P energy: -55.298
tors. eta vs tors. theta energy: -16.345
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: 9, replica: 1
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -637.717877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.717877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.717877 (E_RNA)
where:
Base-Base interactions energy: -292.932
where: short stacking energy: -183.687
Base-Backbone interact. energy: -0.537
local terms energy: -344.248466
where:
bonds (distance) C4'-P energy: -107.259
bonds (distance) P-C4' energy: -87.257
flat angles C4'-P-C4' energy: -79.727
flat angles P-C4'-P energy: -53.801
tors. eta vs tors. theta energy: -16.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -437.837783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.837783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.837783 (E_RNA)
where:
Base-Base interactions energy: -142.707
where: short stacking energy: -131.262
Base-Backbone interact. energy: 0.589
local terms energy: -295.719511
where:
bonds (distance) C4'-P energy: -88.701
bonds (distance) P-C4' energy: -105.690
flat angles C4'-P-C4' energy: -87.506
flat angles P-C4'-P energy: -35.441
tors. eta vs tors. theta energy: 21.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1895.042600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.042600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.042600 (E_RNA)
where:
Base-Base interactions energy: -1326.389
where: short stacking energy: -544.478
Base-Backbone interact. energy: 6.299
local terms energy: -574.952670
where:
bonds (distance) C4'-P energy: -107.669
bonds (distance) P-C4' energy: -121.220
flat angles C4'-P-C4' energy: -126.064
flat angles P-C4'-P energy: -75.328
tors. eta vs tors. theta energy: -144.671
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: 8
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1849.077555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.077555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.077555 (E_RNA)
where:
Base-Base interactions energy: -1259.838
where: short stacking energy: -552.518
Base-Backbone interact. energy: -1.712
local terms energy: -587.527881
where:
bonds (distance) C4'-P energy: -109.640
bonds (distance) P-C4' energy: -109.533
flat angles C4'-P-C4' energy: -130.157
flat angles P-C4'-P energy: -79.526
tors. eta vs tors. theta energy: -158.673
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: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1711.958604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.958604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.958604 (E_RNA)
where:
Base-Base interactions energy: -1149.335
where: short stacking energy: -483.870
Base-Backbone interact. energy: -3.930
local terms energy: -558.693073
where:
bonds (distance) C4'-P energy: -106.815
bonds (distance) P-C4' energy: -112.072
flat angles C4'-P-C4' energy: -131.460
flat angles P-C4'-P energy: -74.699
tors. eta vs tors. theta energy: -133.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1673.184528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.184528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.184528 (E_RNA)
where:
Base-Base interactions energy: -1121.520
where: short stacking energy: -484.552
Base-Backbone interact. energy: 0.178
local terms energy: -551.842034
where:
bonds (distance) C4'-P energy: -117.418
bonds (distance) P-C4' energy: -102.920
flat angles C4'-P-C4' energy: -125.777
flat angles P-C4'-P energy: -67.615
tors. eta vs tors. theta energy: -138.111
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: 5, replica: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1399.419023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.419023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.419023 (E_RNA)
where:
Base-Base interactions energy: -924.665
where: short stacking energy: -390.860
Base-Backbone interact. energy: -3.135
local terms energy: -471.619120
where:
bonds (distance) C4'-P energy: -92.576
bonds (distance) P-C4' energy: -102.303
flat angles C4'-P-C4' energy: -119.071
flat angles P-C4'-P energy: -61.589
tors. eta vs tors. theta energy: -96.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1240.449683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.449683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.449683 (E_RNA)
where:
Base-Base interactions energy: -807.034
where: short stacking energy: -360.191
Base-Backbone interact. energy: 2.095
local terms energy: -435.510151
where:
bonds (distance) C4'-P energy: -87.518
bonds (distance) P-C4' energy: -104.991
flat angles C4'-P-C4' energy: -102.355
flat angles P-C4'-P energy: -56.109
tors. eta vs tors. theta energy: -84.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1073.914369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.914369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.914369 (E_RNA)
where:
Base-Base interactions energy: -626.271
where: short stacking energy: -323.298
Base-Backbone interact. energy: 0.454
local terms energy: -448.098236
where:
bonds (distance) C4'-P energy: -114.559
bonds (distance) P-C4' energy: -97.338
flat angles C4'-P-C4' energy: -102.953
flat angles P-C4'-P energy: -70.209
tors. eta vs tors. theta energy: -63.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -711.246009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.246009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.246009 (E_RNA)
where:
Base-Base interactions energy: -381.427
where: short stacking energy: -217.526
Base-Backbone interact. energy: 6.679
local terms energy: -336.498028
where:
bonds (distance) C4'-P energy: -109.433
bonds (distance) P-C4' energy: -89.092
flat angles C4'-P-C4' energy: -83.589
flat angles P-C4'-P energy: -54.178
tors. eta vs tors. theta energy: -0.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -639.252237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.252237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.252237 (E_RNA)
where:
Base-Base interactions energy: -303.930
where: short stacking energy: -165.776
Base-Backbone interact. energy: -3.031
local terms energy: -332.291073
where:
bonds (distance) C4'-P energy: -105.936
bonds (distance) P-C4' energy: -82.698
flat angles C4'-P-C4' energy: -84.799
flat angles P-C4'-P energy: -46.632
tors. eta vs tors. theta energy: -12.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -456.418000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.418000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.418000 (E_RNA)
where:
Base-Base interactions energy: -143.547
where: short stacking energy: -108.583
Base-Backbone interact. energy: -2.038
local terms energy: -310.833416
where:
bonds (distance) C4'-P energy: -98.741
bonds (distance) P-C4' energy: -79.506
flat angles C4'-P-C4' energy: -85.075
flat angles P-C4'-P energy: -62.883
tors. eta vs tors. theta energy: 15.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1905.285985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.285985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.285985 (E_RNA)
where:
Base-Base interactions energy: -1298.292
where: short stacking energy: -551.860
Base-Backbone interact. energy: -4.014
local terms energy: -602.980348
where:
bonds (distance) C4'-P energy: -113.153
bonds (distance) P-C4' energy: -125.559
flat angles C4'-P-C4' energy: -133.586
flat angles P-C4'-P energy: -79.876
tors. eta vs tors. theta energy: -150.806
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: 8
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1869.880755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.880755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.880755 (E_RNA)
where:
Base-Base interactions energy: -1270.856
where: short stacking energy: -561.489
Base-Backbone interact. energy: -3.568
local terms energy: -595.456100
where:
bonds (distance) C4'-P energy: -104.077
bonds (distance) P-C4' energy: -129.943
flat angles C4'-P-C4' energy: -129.643
flat angles P-C4'-P energy: -74.820
tors. eta vs tors. theta energy: -156.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1770.035418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.035418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.035418 (E_RNA)
where:
Base-Base interactions energy: -1192.237
where: short stacking energy: -500.943
Base-Backbone interact. energy: 2.786
local terms energy: -580.584379
where:
bonds (distance) C4'-P energy: -113.264
bonds (distance) P-C4' energy: -118.640
flat angles C4'-P-C4' energy: -126.263
flat angles P-C4'-P energy: -79.989
tors. eta vs tors. theta energy: -142.428
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: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1588.671907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.671907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.671907 (E_RNA)
where:
Base-Base interactions energy: -1051.000
where: short stacking energy: -446.565
Base-Backbone interact. energy: -0.874
local terms energy: -536.797509
where:
bonds (distance) C4'-P energy: -102.507
bonds (distance) P-C4' energy: -113.094
flat angles C4'-P-C4' energy: -111.044
flat angles P-C4'-P energy: -82.824
tors. eta vs tors. theta energy: -127.329
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: 85
Temperature: 1.100000
Total energy: -1445.959259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.959259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.959259 (E_RNA)
where:
Base-Base interactions energy: -962.350
where: short stacking energy: -430.361
Base-Backbone interact. energy: -2.767
local terms energy: -480.841485
where:
bonds (distance) C4'-P energy: -98.821
bonds (distance) P-C4' energy: -103.663
flat angles C4'-P-C4' energy: -106.121
flat angles P-C4'-P energy: -60.405
tors. eta vs tors. theta energy: -111.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1251.343109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.343109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.343109 (E_RNA)
where:
Base-Base interactions energy: -784.425
where: short stacking energy: -365.227
Base-Backbone interact. energy: -0.400
local terms energy: -466.518515
where:
bonds (distance) C4'-P energy: -114.563
bonds (distance) P-C4' energy: -100.604
flat angles C4'-P-C4' energy: -107.071
flat angles P-C4'-P energy: -65.002
tors. eta vs tors. theta energy: -79.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1019.809803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.809803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.809803 (E_RNA)
where:
Base-Base interactions energy: -578.979
where: short stacking energy: -319.705
Base-Backbone interact. energy: -3.342
local terms energy: -437.489211
where:
bonds (distance) C4'-P energy: -90.871
bonds (distance) P-C4' energy: -101.117
flat angles C4'-P-C4' energy: -111.882
flat angles P-C4'-P energy: -59.935
tors. eta vs tors. theta energy: -73.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -718.007390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.007390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.007390 (E_RNA)
where:
Base-Base interactions energy: -345.504
where: short stacking energy: -198.960
Base-Backbone interact. energy: -1.446
local terms energy: -371.057892
where:
bonds (distance) C4'-P energy: -101.986
bonds (distance) P-C4' energy: -97.321
flat angles C4'-P-C4' energy: -91.280
flat angles P-C4'-P energy: -54.940
tors. eta vs tors. theta energy: -25.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -584.177855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.177855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.177855 (E_RNA)
where:
Base-Base interactions energy: -257.648
where: short stacking energy: -180.187
Base-Backbone interact. energy: 0.056
local terms energy: -326.586040
where:
bonds (distance) C4'-P energy: -85.907
bonds (distance) P-C4' energy: -106.931
flat angles C4'-P-C4' energy: -87.700
flat angles P-C4'-P energy: -41.309
tors. eta vs tors. theta energy: -4.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -446.387195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.387195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.387195 (E_RNA)
where:
Base-Base interactions energy: -142.489
where: short stacking energy: -117.405
Base-Backbone interact. energy: -0.458
local terms energy: -303.439888
where:
bonds (distance) C4'-P energy: -88.124
bonds (distance) P-C4' energy: -113.945
flat angles C4'-P-C4' energy: -68.166
flat angles P-C4'-P energy: -47.816
tors. eta vs tors. theta energy: 14.611
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: 1, replica: 9
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1894.361583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.361583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.361583 (E_RNA)
where:
Base-Base interactions energy: -1312.295
where: short stacking energy: -528.583
Base-Backbone interact. energy: 0.174
local terms energy: -582.240914
where:
bonds (distance) C4'-P energy: -102.706
bonds (distance) P-C4' energy: -124.397
flat angles C4'-P-C4' energy: -123.139
flat angles P-C4'-P energy: -80.763
tors. eta vs tors. theta energy: -151.236
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: 8
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -1881.883586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.883586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.883586 (E_RNA)
where:
Base-Base interactions energy: -1269.469
where: short stacking energy: -530.003
Base-Backbone interact. energy: 1.593
local terms energy: -614.007793
where:
bonds (distance) C4'-P energy: -110.107
bonds (distance) P-C4' energy: -125.610
flat angles C4'-P-C4' energy: -133.700
flat angles P-C4'-P energy: -89.384
tors. eta vs tors. theta energy: -155.207
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: 86
Temperature: 1.000000
Total energy: -1746.799854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.799854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.799854 (E_RNA)
where:
Base-Base interactions energy: -1196.601
where: short stacking energy: -511.484
Base-Backbone interact. energy: -3.070
local terms energy: -547.128283
where:
bonds (distance) C4'-P energy: -106.610
bonds (distance) P-C4' energy: -112.211
flat angles C4'-P-C4' energy: -125.948
flat angles P-C4'-P energy: -68.043
tors. eta vs tors. theta energy: -134.317
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: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1681.083231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.083231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.083231 (E_RNA)
where:
Base-Base interactions energy: -1124.676
where: short stacking energy: -501.878
Base-Backbone interact. energy: 0.669
local terms energy: -557.076390
where:
bonds (distance) C4'-P energy: -114.931
bonds (distance) P-C4' energy: -101.126
flat angles C4'-P-C4' energy: -114.352
flat angles P-C4'-P energy: -75.158
tors. eta vs tors. theta energy: -151.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1433.627404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.627404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.627404 (E_RNA)
where:
Base-Base interactions energy: -920.436
where: short stacking energy: -421.629
Base-Backbone interact. energy: -2.671
local terms energy: -510.521012
where:
bonds (distance) C4'-P energy: -98.184
bonds (distance) P-C4' energy: -110.544
flat angles C4'-P-C4' energy: -121.365
flat angles P-C4'-P energy: -67.373
tors. eta vs tors. theta energy: -113.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1329.703930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.703930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.703930 (E_RNA)
where:
Base-Base interactions energy: -875.228
where: short stacking energy: -382.367
Base-Backbone interact. energy: -1.657
local terms energy: -452.818601
where:
bonds (distance) C4'-P energy: -94.380
bonds (distance) P-C4' energy: -97.919
flat angles C4'-P-C4' energy: -112.379
flat angles P-C4'-P energy: -68.744
tors. eta vs tors. theta energy: -79.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -972.776818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.776818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.776818 (E_RNA)
where:
Base-Base interactions energy: -567.943
where: short stacking energy: -289.889
Base-Backbone interact. energy: -1.621
local terms energy: -403.212637
where:
bonds (distance) C4'-P energy: -103.532
bonds (distance) P-C4' energy: -87.040
flat angles C4'-P-C4' energy: -100.137
flat angles P-C4'-P energy: -66.874
tors. eta vs tors. theta energy: -45.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -740.965128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.965128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.965128 (E_RNA)
where:
Base-Base interactions energy: -395.715
where: short stacking energy: -228.270
Base-Backbone interact. energy: -0.698
local terms energy: -344.552846
where:
bonds (distance) C4'-P energy: -68.879
bonds (distance) P-C4' energy: -107.180
flat angles C4'-P-C4' energy: -72.080
flat angles P-C4'-P energy: -74.656
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -619.788209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.788209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.788209 (E_RNA)
where:
Base-Base interactions energy: -307.016
where: short stacking energy: -148.376
Base-Backbone interact. energy: -0.299
local terms energy: -312.473431
where:
bonds (distance) C4'-P energy: -101.877
bonds (distance) P-C4' energy: -90.203
flat angles C4'-P-C4' energy: -72.139
flat angles P-C4'-P energy: -60.902
tors. eta vs tors. theta energy: 12.648
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: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -465.661482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.661482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.661482 (E_RNA)
where:
Base-Base interactions energy: -167.854
where: short stacking energy: -107.846
Base-Backbone interact. energy: 0.049
local terms energy: -297.856386
where:
bonds (distance) C4'-P energy: -97.446
bonds (distance) P-C4' energy: -94.696
flat angles C4'-P-C4' energy: -84.390
flat angles P-C4'-P energy: -51.642
tors. eta vs tors. theta energy: 30.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1896.486382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.486382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.486382 (E_RNA)
where:
Base-Base interactions energy: -1306.487
where: short stacking energy: -533.207
Base-Backbone interact. energy: -4.345
local terms energy: -585.653511
where:
bonds (distance) C4'-P energy: -109.413
bonds (distance) P-C4' energy: -115.897
flat angles C4'-P-C4' energy: -133.062
flat angles P-C4'-P energy: -77.099
tors. eta vs tors. theta energy: -150.183
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: 8
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1886.820792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.820792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.820792 (E_RNA)
where:
Base-Base interactions energy: -1276.340
where: short stacking energy: -554.224
Base-Backbone interact. energy: -2.235
local terms energy: -608.245597
where:
bonds (distance) C4'-P energy: -110.894
bonds (distance) P-C4' energy: -121.851
flat angles C4'-P-C4' energy: -128.559
flat angles P-C4'-P energy: -85.801
tors. eta vs tors. theta energy: -161.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1785.711588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.711588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.711588 (E_RNA)
where:
Base-Base interactions energy: -1240.721
where: short stacking energy: -522.884
Base-Backbone interact. energy: -3.213
local terms energy: -541.777624
where:
bonds (distance) C4'-P energy: -97.873
bonds (distance) P-C4' energy: -111.360
flat angles C4'-P-C4' energy: -117.851
flat angles P-C4'-P energy: -81.112
tors. eta vs tors. theta energy: -133.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1636.019273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.019273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.019273 (E_RNA)
where:
Base-Base interactions energy: -1102.091
where: short stacking energy: -473.242
Base-Backbone interact. energy: -2.314
local terms energy: -531.614350
where:
bonds (distance) C4'-P energy: -98.520
bonds (distance) P-C4' energy: -92.728
flat angles C4'-P-C4' energy: -118.803
flat angles P-C4'-P energy: -73.795
tors. eta vs tors. theta energy: -147.768
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: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1362.086336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.086336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.086336 (E_RNA)
where:
Base-Base interactions energy: -885.277
where: short stacking energy: -421.370
Base-Backbone interact. energy: 1.597
local terms energy: -478.406691
where:
bonds (distance) C4'-P energy: -100.541
bonds (distance) P-C4' energy: -89.331
flat angles C4'-P-C4' energy: -122.778
flat angles P-C4'-P energy: -68.205
tors. eta vs tors. theta energy: -97.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1238.511494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.511494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.511494 (E_RNA)
where:
Base-Base interactions energy: -755.094
where: short stacking energy: -345.513
Base-Backbone interact. energy: -3.017
local terms energy: -480.400736
where:
bonds (distance) C4'-P energy: -111.572
bonds (distance) P-C4' energy: -117.068
flat angles C4'-P-C4' energy: -97.713
flat angles P-C4'-P energy: -66.111
tors. eta vs tors. theta energy: -87.936
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: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -968.705713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.705713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.705713 (E_RNA)
where:
Base-Base interactions energy: -570.721
where: short stacking energy: -271.206
Base-Backbone interact. energy: 2.395
local terms energy: -400.379159
where:
bonds (distance) C4'-P energy: -110.037
bonds (distance) P-C4' energy: -98.475
flat angles C4'-P-C4' energy: -96.902
flat angles P-C4'-P energy: -57.911
tors. eta vs tors. theta energy: -37.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -701.829296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.829296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.829296 (E_RNA)
where:
Base-Base interactions energy: -369.257
where: short stacking energy: -216.170
Base-Backbone interact. energy: -0.176
local terms energy: -332.396318
where:
bonds (distance) C4'-P energy: -81.942
bonds (distance) P-C4' energy: -93.201
flat angles C4'-P-C4' energy: -89.184
flat angles P-C4'-P energy: -55.954
tors. eta vs tors. theta energy: -12.115
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: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -629.894832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.894832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.894832 (E_RNA)
where:
Base-Base interactions energy: -304.620
where: short stacking energy: -212.638
Base-Backbone interact. energy: -0.639
local terms energy: -324.636002
where:
bonds (distance) C4'-P energy: -78.229
bonds (distance) P-C4' energy: -99.567
flat angles C4'-P-C4' energy: -82.316
flat angles P-C4'-P energy: -35.303
tors. eta vs tors. theta energy: -29.221
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: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -439.234254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.234254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.234254 (E_RNA)
where:
Base-Base interactions energy: -130.130
where: short stacking energy: -119.280
Base-Backbone interact. energy: 1.381
local terms energy: -310.485330
where:
bonds (distance) C4'-P energy: -87.899
bonds (distance) P-C4' energy: -106.375
flat angles C4'-P-C4' energy: -75.762
flat angles P-C4'-P energy: -47.835
tors. eta vs tors. theta energy: 7.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1923.351952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.351952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.351952 (E_RNA)
where:
Base-Base interactions energy: -1330.577
where: short stacking energy: -524.797
Base-Backbone interact. energy: -0.990
local terms energy: -591.785033
where:
bonds (distance) C4'-P energy: -106.623
bonds (distance) P-C4' energy: -120.727
flat angles C4'-P-C4' energy: -125.259
flat angles P-C4'-P energy: -89.525
tors. eta vs tors. theta energy: -149.650
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: 8
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1872.197160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.197160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.197160 (E_RNA)
where:
Base-Base interactions energy: -1279.685
where: short stacking energy: -552.417
Base-Backbone interact. energy: 1.112
local terms energy: -593.624046
where:
bonds (distance) C4'-P energy: -112.160
bonds (distance) P-C4' energy: -122.698
flat angles C4'-P-C4' energy: -132.362
flat angles P-C4'-P energy: -69.756
tors. eta vs tors. theta energy: -156.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1794.173738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.173738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.173738 (E_RNA)
where:
Base-Base interactions energy: -1234.731
where: short stacking energy: -512.178
Base-Backbone interact. energy: -3.135
local terms energy: -556.307178
where:
bonds (distance) C4'-P energy: -116.813
bonds (distance) P-C4' energy: -99.435
flat angles C4'-P-C4' energy: -123.817
flat angles P-C4'-P energy: -78.971
tors. eta vs tors. theta energy: -137.271
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: 6
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1651.583135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.583135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.583135 (E_RNA)
where:
Base-Base interactions energy: -1118.952
where: short stacking energy: -486.126
Base-Backbone interact. energy: 2.272
local terms energy: -534.903487
where:
bonds (distance) C4'-P energy: -99.049
bonds (distance) P-C4' energy: -108.201
flat angles C4'-P-C4' energy: -127.506
flat angles P-C4'-P energy: -68.750
tors. eta vs tors. theta energy: -131.398
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: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1376.376793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.376793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.376793 (E_RNA)
where:
Base-Base interactions energy: -880.032
where: short stacking energy: -390.477
Base-Backbone interact. energy: -2.519
local terms energy: -493.825183
where:
bonds (distance) C4'-P energy: -98.264
bonds (distance) P-C4' energy: -113.051
flat angles C4'-P-C4' energy: -118.007
flat angles P-C4'-P energy: -74.252
tors. eta vs tors. theta energy: -90.250
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: 6, replica: 2
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1223.969139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.969139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.969139 (E_RNA)
where:
Base-Base interactions energy: -787.290
where: short stacking energy: -330.767
Base-Backbone interact. energy: -0.736
local terms energy: -435.943251
where:
bonds (distance) C4'-P energy: -83.775
bonds (distance) P-C4' energy: -109.439
flat angles C4'-P-C4' energy: -99.076
flat angles P-C4'-P energy: -62.891
tors. eta vs tors. theta energy: -80.762
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: 7, replica: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1043.908690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.908690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.908690 (E_RNA)
where:
Base-Base interactions energy: -627.883
where: short stacking energy: -308.609
Base-Backbone interact. energy: -3.041
local terms energy: -412.983948
where:
bonds (distance) C4'-P energy: -83.019
bonds (distance) P-C4' energy: -110.407
flat angles C4'-P-C4' energy: -95.496
flat angles P-C4'-P energy: -67.526
tors. eta vs tors. theta energy: -56.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -722.667454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.667454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.667454 (E_RNA)
where:
Base-Base interactions energy: -359.116
where: short stacking energy: -201.938
Base-Backbone interact. energy: 0.860
local terms energy: -364.411765
where:
bonds (distance) C4'-P energy: -100.942
bonds (distance) P-C4' energy: -114.120
flat angles C4'-P-C4' energy: -72.948
flat angles P-C4'-P energy: -55.453
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -651.867314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.867314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.867314 (E_RNA)
where:
Base-Base interactions energy: -309.190
where: short stacking energy: -186.121
Base-Backbone interact. energy: 0.575
local terms energy: -343.253063
where:
bonds (distance) C4'-P energy: -90.818
bonds (distance) P-C4' energy: -100.868
flat angles C4'-P-C4' energy: -93.300
flat angles P-C4'-P energy: -57.809
tors. eta vs tors. theta energy: -0.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -493.950324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.950324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.950324 (E_RNA)
where:
Base-Base interactions energy: -181.848
where: short stacking energy: -136.034
Base-Backbone interact. energy: 0.762
local terms energy: -312.864295
where:
bonds (distance) C4'-P energy: -99.878
bonds (distance) P-C4' energy: -103.079
flat angles C4'-P-C4' energy: -84.716
flat angles P-C4'-P energy: -37.728
tors. eta vs tors. theta energy: 12.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1934.536311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.536311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.536311 (E_RNA)
where:
Base-Base interactions energy: -1343.166
where: short stacking energy: -539.111
Base-Backbone interact. energy: -1.421
local terms energy: -589.949023
where:
bonds (distance) C4'-P energy: -117.255
bonds (distance) P-C4' energy: -109.150
flat angles C4'-P-C4' energy: -122.203
flat angles P-C4'-P energy: -100.528
tors. eta vs tors. theta energy: -140.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1857.137970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.137970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.137970 (E_RNA)
where:
Base-Base interactions energy: -1282.534
where: short stacking energy: -549.140
Base-Backbone interact. energy: -1.474
local terms energy: -573.129818
where:
bonds (distance) C4'-P energy: -111.329
bonds (distance) P-C4' energy: -101.274
flat angles C4'-P-C4' energy: -119.459
flat angles P-C4'-P energy: -79.233
tors. eta vs tors. theta energy: -161.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1807.303570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.303570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.303570 (E_RNA)
where:
Base-Base interactions energy: -1235.451
where: short stacking energy: -553.259
Base-Backbone interact. energy: -1.513
local terms energy: -570.340046
where:
bonds (distance) C4'-P energy: -109.089
bonds (distance) P-C4' energy: -125.858
flat angles C4'-P-C4' energy: -129.056
flat angles P-C4'-P energy: -58.417
tors. eta vs tors. theta energy: -147.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1668.147567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.147567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.147567 (E_RNA)
where:
Base-Base interactions energy: -1105.832
where: short stacking energy: -474.701
Base-Backbone interact. energy: -1.631
local terms energy: -560.684766
where:
bonds (distance) C4'-P energy: -93.215
bonds (distance) P-C4' energy: -114.815
flat angles C4'-P-C4' energy: -126.768
flat angles P-C4'-P energy: -74.571
tors. eta vs tors. theta energy: -151.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1345.736289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.736289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.736289 (E_RNA)
where:
Base-Base interactions energy: -894.066
where: short stacking energy: -375.913
Base-Backbone interact. energy: -1.162
local terms energy: -450.507841
where:
bonds (distance) C4'-P energy: -77.671
bonds (distance) P-C4' energy: -101.842
flat angles C4'-P-C4' energy: -106.649
flat angles P-C4'-P energy: -71.850
tors. eta vs tors. theta energy: -92.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1256.431766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.431766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.431766 (E_RNA)
where:
Base-Base interactions energy: -758.829
where: short stacking energy: -340.558
Base-Backbone interact. energy: -1.825
local terms energy: -495.778440
where:
bonds (distance) C4'-P energy: -119.111
bonds (distance) P-C4' energy: -109.855
flat angles C4'-P-C4' energy: -111.034
flat angles P-C4'-P energy: -76.346
tors. eta vs tors. theta energy: -79.433
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: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -898.250571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.250571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.250571 (E_RNA)
where:
Base-Base interactions energy: -515.389
where: short stacking energy: -262.585
Base-Backbone interact. energy: -1.908
local terms energy: -380.953471
where:
bonds (distance) C4'-P energy: -105.025
bonds (distance) P-C4' energy: -97.656
flat angles C4'-P-C4' energy: -83.714
flat angles P-C4'-P energy: -66.085
tors. eta vs tors. theta energy: -28.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -755.126216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.126216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.126216 (E_RNA)
where:
Base-Base interactions energy: -361.229
where: short stacking energy: -209.047
Base-Backbone interact. energy: 3.437
local terms energy: -397.334753
where:
bonds (distance) C4'-P energy: -108.711
bonds (distance) P-C4' energy: -109.510
flat angles C4'-P-C4' energy: -101.085
flat angles P-C4'-P energy: -49.557
tors. eta vs tors. theta energy: -28.472
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: 1
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -621.744083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.744083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.744083 (E_RNA)
where:
Base-Base interactions energy: -287.523
where: short stacking energy: -166.971
Base-Backbone interact. energy: -0.143
local terms energy: -334.077520
where:
bonds (distance) C4'-P energy: -102.081
bonds (distance) P-C4' energy: -87.728
flat angles C4'-P-C4' energy: -80.982
flat angles P-C4'-P energy: -56.078
tors. eta vs tors. theta energy: -7.209
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: 4
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -440.004572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.004572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.004572 (E_RNA)
where:
Base-Base interactions energy: -181.166
where: short stacking energy: -137.990
Base-Backbone interact. energy: 6.090
local terms energy: -264.929487
where:
bonds (distance) C4'-P energy: -93.169
bonds (distance) P-C4' energy: -80.003
flat angles C4'-P-C4' energy: -61.813
flat angles P-C4'-P energy: -54.524
tors. eta vs tors. theta energy: 24.579
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: 9
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1939.359390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.359390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.359390 (E_RNA)
where:
Base-Base interactions energy: -1333.009
where: short stacking energy: -528.712
Base-Backbone interact. energy: -0.981
local terms energy: -605.369664
where:
bonds (distance) C4'-P energy: -112.110
bonds (distance) P-C4' energy: -130.457
flat angles C4'-P-C4' energy: -130.108
flat angles P-C4'-P energy: -87.734
tors. eta vs tors. theta energy: -144.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1857.598801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.598801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.598801 (E_RNA)
where:
Base-Base interactions energy: -1275.552
where: short stacking energy: -542.533
Base-Backbone interact. energy: 3.168
local terms energy: -585.215046
where:
bonds (distance) C4'-P energy: -107.235
bonds (distance) P-C4' energy: -93.935
flat angles C4'-P-C4' energy: -130.424
flat angles P-C4'-P energy: -90.060
tors. eta vs tors. theta energy: -163.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1807.190051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.190051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.190051 (E_RNA)
where:
Base-Base interactions energy: -1239.100
where: short stacking energy: -538.522
Base-Backbone interact. energy: -0.925
local terms energy: -567.165102
where:
bonds (distance) C4'-P energy: -104.202
bonds (distance) P-C4' energy: -117.589
flat angles C4'-P-C4' energy: -124.639
flat angles P-C4'-P energy: -69.231
tors. eta vs tors. theta energy: -151.503
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: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1643.672806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.672806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.672806 (E_RNA)
where:
Base-Base interactions energy: -1071.808
where: short stacking energy: -481.941
Base-Backbone interact. energy: -5.776
local terms energy: -566.088948
where:
bonds (distance) C4'-P energy: -99.189
bonds (distance) P-C4' energy: -113.283
flat angles C4'-P-C4' energy: -124.208
flat angles P-C4'-P energy: -79.716
tors. eta vs tors. theta energy: -149.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1394.946350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.946350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.946350 (E_RNA)
where:
Base-Base interactions energy: -876.287
where: short stacking energy: -396.759
Base-Backbone interact. energy: -4.554
local terms energy: -514.105198
where:
bonds (distance) C4'-P energy: -111.761
bonds (distance) P-C4' energy: -108.019
flat angles C4'-P-C4' energy: -122.932
flat angles P-C4'-P energy: -76.335
tors. eta vs tors. theta energy: -95.060
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: 6, replica: 2
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1274.812822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.812822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.812822 (E_RNA)
where:
Base-Base interactions energy: -809.210
where: short stacking energy: -383.743
Base-Backbone interact. energy: -2.329
local terms energy: -463.273120
where:
bonds (distance) C4'-P energy: -96.092
bonds (distance) P-C4' energy: -116.655
flat angles C4'-P-C4' energy: -103.690
flat angles P-C4'-P energy: -54.497
tors. eta vs tors. theta energy: -92.339
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: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -896.210354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.210354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.210354 (E_RNA)
where:
Base-Base interactions energy: -521.937
where: short stacking energy: -291.880
Base-Backbone interact. energy: -0.742
local terms energy: -373.531501
where:
bonds (distance) C4'-P energy: -89.974
bonds (distance) P-C4' energy: -113.243
flat angles C4'-P-C4' energy: -100.807
flat angles P-C4'-P energy: -56.008
tors. eta vs tors. theta energy: -13.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -756.421597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.421597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.421597 (E_RNA)
where:
Base-Base interactions energy: -401.820
where: short stacking energy: -234.770
Base-Backbone interact. energy: -2.484
local terms energy: -352.117733
where:
bonds (distance) C4'-P energy: -100.799
bonds (distance) P-C4' energy: -88.647
flat angles C4'-P-C4' energy: -76.328
flat angles P-C4'-P energy: -53.730
tors. eta vs tors. theta energy: -32.614
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: 1
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -647.903545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.903545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.903545 (E_RNA)
where:
Base-Base interactions energy: -299.546
where: short stacking energy: -161.735
Base-Backbone interact. energy: -0.704
local terms energy: -347.653784
where:
bonds (distance) C4'-P energy: -97.825
bonds (distance) P-C4' energy: -104.082
flat angles C4'-P-C4' energy: -96.748
flat angles P-C4'-P energy: -53.740
tors. eta vs tors. theta energy: 4.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -456.883338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.883338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.883338 (E_RNA)
where:
Base-Base interactions energy: -184.145
where: short stacking energy: -154.972
Base-Backbone interact. energy: 0.171
local terms energy: -272.909669
where:
bonds (distance) C4'-P energy: -79.723
bonds (distance) P-C4' energy: -107.383
flat angles C4'-P-C4' energy: -72.846
flat angles P-C4'-P energy: -40.535
tors. eta vs tors. theta energy: 27.578
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: 1, replica: 9
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1934.249976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.249976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.249976 (E_RNA)
where:
Base-Base interactions energy: -1349.678
where: short stacking energy: -523.997
Base-Backbone interact. energy: 2.590
local terms energy: -587.161273
where:
bonds (distance) C4'-P energy: -114.930
bonds (distance) P-C4' energy: -115.480
flat angles C4'-P-C4' energy: -126.987
flat angles P-C4'-P energy: -81.442
tors. eta vs tors. theta energy: -148.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1880.550573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.550573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.550573 (E_RNA)
where:
Base-Base interactions energy: -1269.359
where: short stacking energy: -540.445
Base-Backbone interact. energy: -1.142
local terms energy: -610.049598
where:
bonds (distance) C4'-P energy: -111.946
bonds (distance) P-C4' energy: -122.160
flat angles C4'-P-C4' energy: -127.905
flat angles P-C4'-P energy: -90.070
tors. eta vs tors. theta energy: -157.969
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: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1792.463211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.463211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.463211 (E_RNA)
where:
Base-Base interactions energy: -1240.387
where: short stacking energy: -525.637
Base-Backbone interact. energy: -2.009
local terms energy: -550.066967
where:
bonds (distance) C4'-P energy: -94.520
bonds (distance) P-C4' energy: -97.460
flat angles C4'-P-C4' energy: -128.060
flat angles P-C4'-P energy: -94.824
tors. eta vs tors. theta energy: -135.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1675.423457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.423457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.423457 (E_RNA)
where:
Base-Base interactions energy: -1118.616
where: short stacking energy: -493.082
Base-Backbone interact. energy: 5.779
local terms energy: -562.585644
where:
bonds (distance) C4'-P energy: -103.572
bonds (distance) P-C4' energy: -112.875
flat angles C4'-P-C4' energy: -116.570
flat angles P-C4'-P energy: -85.272
tors. eta vs tors. theta energy: -144.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1413.894873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.894873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.894873 (E_RNA)
where:
Base-Base interactions energy: -911.041
where: short stacking energy: -418.496
Base-Backbone interact. energy: -0.617
local terms energy: -502.236994
where:
bonds (distance) C4'-P energy: -95.451
bonds (distance) P-C4' energy: -101.014
flat angles C4'-P-C4' energy: -125.058
flat angles P-C4'-P energy: -66.729
tors. eta vs tors. theta energy: -113.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1207.064637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.064637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.064637 (E_RNA)
where:
Base-Base interactions energy: -750.539
where: short stacking energy: -351.413
Base-Backbone interact. energy: -3.112
local terms energy: -453.414238
where:
bonds (distance) C4'-P energy: -92.612
bonds (distance) P-C4' energy: -101.400
flat angles C4'-P-C4' energy: -111.804
flat angles P-C4'-P energy: -62.237
tors. eta vs tors. theta energy: -85.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -922.626386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.626386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.626386 (E_RNA)
where:
Base-Base interactions energy: -522.354
where: short stacking energy: -287.617
Base-Backbone interact. energy: 8.826
local terms energy: -409.098408
where:
bonds (distance) C4'-P energy: -106.686
bonds (distance) P-C4' energy: -102.705
flat angles C4'-P-C4' energy: -100.653
flat angles P-C4'-P energy: -65.940
tors. eta vs tors. theta energy: -33.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -732.837904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.837904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.837904 (E_RNA)
where:
Base-Base interactions energy: -350.688
where: short stacking energy: -203.897
Base-Backbone interact. energy: -2.450
local terms energy: -379.700438
where:
bonds (distance) C4'-P energy: -99.019
bonds (distance) P-C4' energy: -105.015
flat angles C4'-P-C4' energy: -93.015
flat angles P-C4'-P energy: -59.205
tors. eta vs tors. theta energy: -23.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -657.010350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.010350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.010350 (E_RNA)
where:
Base-Base interactions energy: -290.117
where: short stacking energy: -180.569
Base-Backbone interact. energy: 5.226
local terms energy: -372.118754
where:
bonds (distance) C4'-P energy: -89.456
bonds (distance) P-C4' energy: -100.235
flat angles C4'-P-C4' energy: -93.182
flat angles P-C4'-P energy: -71.824
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -437.525214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.525214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.525214 (E_RNA)
where:
Base-Base interactions energy: -134.301
where: short stacking energy: -114.907
Base-Backbone interact. energy: -0.015
local terms energy: -303.209762
where:
bonds (distance) C4'-P energy: -95.037
bonds (distance) P-C4' energy: -109.507
flat angles C4'-P-C4' energy: -86.435
flat angles P-C4'-P energy: -36.017
tors. eta vs tors. theta energy: 23.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1925.662882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.662882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.662882 (E_RNA)
where:
Base-Base interactions energy: -1328.792
where: short stacking energy: -545.746
Base-Backbone interact. energy: -3.187
local terms energy: -593.684049
where:
bonds (distance) C4'-P energy: -113.044
bonds (distance) P-C4' energy: -116.781
flat angles C4'-P-C4' energy: -126.496
flat angles P-C4'-P energy: -87.496
tors. eta vs tors. theta energy: -149.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1877.784616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.784616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.784616 (E_RNA)
where:
Base-Base interactions energy: -1261.801
where: short stacking energy: -534.266
Base-Backbone interact. energy: -2.937
local terms energy: -613.046744
where:
bonds (distance) C4'-P energy: -113.123
bonds (distance) P-C4' energy: -120.800
flat angles C4'-P-C4' energy: -129.361
flat angles P-C4'-P energy: -85.407
tors. eta vs tors. theta energy: -164.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1826.412112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.412112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.412112 (E_RNA)
where:
Base-Base interactions energy: -1257.939
where: short stacking energy: -523.155
Base-Backbone interact. energy: -0.607
local terms energy: -567.865954
where:
bonds (distance) C4'-P energy: -111.764
bonds (distance) P-C4' energy: -100.384
flat angles C4'-P-C4' energy: -122.514
flat angles P-C4'-P energy: -79.653
tors. eta vs tors. theta energy: -153.552
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: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1633.491834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.491834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.491834 (E_RNA)
where:
Base-Base interactions energy: -1074.963
where: short stacking energy: -460.066
Base-Backbone interact. energy: 0.498
local terms energy: -559.026697
where:
bonds (distance) C4'-P energy: -102.655
bonds (distance) P-C4' energy: -118.045
flat angles C4'-P-C4' energy: -117.349
flat angles P-C4'-P energy: -83.040
tors. eta vs tors. theta energy: -137.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1425.732028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.732028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.732028 (E_RNA)
where:
Base-Base interactions energy: -922.736
where: short stacking energy: -410.277
Base-Backbone interact. energy: 2.070
local terms energy: -505.066419
where:
bonds (distance) C4'-P energy: -108.302
bonds (distance) P-C4' energy: -91.967
flat angles C4'-P-C4' energy: -121.070
flat angles P-C4'-P energy: -73.572
tors. eta vs tors. theta energy: -110.156
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: 2
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1237.495645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.495645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.495645 (E_RNA)
where:
Base-Base interactions energy: -790.026
where: short stacking energy: -362.878
Base-Backbone interact. energy: -1.678
local terms energy: -445.791770
where:
bonds (distance) C4'-P energy: -104.272
bonds (distance) P-C4' energy: -113.397
flat angles C4'-P-C4' energy: -102.197
flat angles P-C4'-P energy: -52.145
tors. eta vs tors. theta energy: -73.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -940.246859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.246859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.246859 (E_RNA)
where:
Base-Base interactions energy: -543.079
where: short stacking energy: -281.613
Base-Backbone interact. energy: -3.589
local terms energy: -393.579197
where:
bonds (distance) C4'-P energy: -101.421
bonds (distance) P-C4' energy: -99.500
flat angles C4'-P-C4' energy: -100.054
flat angles P-C4'-P energy: -48.481
tors. eta vs tors. theta energy: -44.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -767.546495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.546495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.546495 (E_RNA)
where:
Base-Base interactions energy: -399.793
where: short stacking energy: -239.107
Base-Backbone interact. energy: 9.028
local terms energy: -376.781549
where:
bonds (distance) C4'-P energy: -93.401
bonds (distance) P-C4' energy: -97.142
flat angles C4'-P-C4' energy: -99.846
flat angles P-C4'-P energy: -43.021
tors. eta vs tors. theta energy: -43.372
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: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -631.071244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.071244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.071244 (E_RNA)
where:
Base-Base interactions energy: -284.855
where: short stacking energy: -175.248
Base-Backbone interact. energy: 4.745
local terms energy: -350.961468
where:
bonds (distance) C4'-P energy: -96.155
bonds (distance) P-C4' energy: -110.630
flat angles C4'-P-C4' energy: -95.318
flat angles P-C4'-P energy: -44.991
tors. eta vs tors. theta energy: -3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -460.687381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.687381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.687381 (E_RNA)
where:
Base-Base interactions energy: -161.020
where: short stacking energy: -124.841
Base-Backbone interact. energy: 3.001
local terms energy: -302.668936
where:
bonds (distance) C4'-P energy: -87.091
bonds (distance) P-C4' energy: -95.739
flat angles C4'-P-C4' energy: -94.440
flat angles P-C4'-P energy: -48.266
tors. eta vs tors. theta energy: 22.868
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: 93
Temperature: 0.900000
Total energy: -1933.798686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.798686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.798686 (E_RNA)
where:
Base-Base interactions energy: -1334.390
where: short stacking energy: -554.718
Base-Backbone interact. energy: -1.751
local terms energy: -597.657701
where:
bonds (distance) C4'-P energy: -107.197
bonds (distance) P-C4' energy: -123.184
flat angles C4'-P-C4' energy: -118.659
flat angles P-C4'-P energy: -91.598
tors. eta vs tors. theta energy: -157.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -1870.736775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.736775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.736775 (E_RNA)
where:
Base-Base interactions energy: -1274.185
where: short stacking energy: -565.908
Base-Backbone interact. energy: -0.935
local terms energy: -595.616516
where:
bonds (distance) C4'-P energy: -98.771
bonds (distance) P-C4' energy: -110.576
flat angles C4'-P-C4' energy: -132.914
flat angles P-C4'-P energy: -76.251
tors. eta vs tors. theta energy: -177.105
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: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -1850.812181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.812181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.812181 (E_RNA)
where:
Base-Base interactions energy: -1238.084
where: short stacking energy: -537.468
Base-Backbone interact. energy: -1.381
local terms energy: -611.347115
where:
bonds (distance) C4'-P energy: -119.814
bonds (distance) P-C4' energy: -130.107
flat angles C4'-P-C4' energy: -113.025
flat angles P-C4'-P energy: -85.255
tors. eta vs tors. theta energy: -163.145
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: 4, replica: 6
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1641.926009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.926009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.926009 (E_RNA)
where:
Base-Base interactions energy: -1091.464
where: short stacking energy: -468.677
Base-Backbone interact. energy: -1.438
local terms energy: -549.023884
where:
bonds (distance) C4'-P energy: -113.384
bonds (distance) P-C4' energy: -114.137
flat angles C4'-P-C4' energy: -105.095
flat angles P-C4'-P energy: -81.008
tors. eta vs tors. theta energy: -135.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1421.987566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.987566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.987566 (E_RNA)
where:
Base-Base interactions energy: -942.030
where: short stacking energy: -423.607
Base-Backbone interact. energy: -1.090
local terms energy: -478.867357
where:
bonds (distance) C4'-P energy: -81.816
bonds (distance) P-C4' energy: -96.036
flat angles C4'-P-C4' energy: -109.642
flat angles P-C4'-P energy: -79.300
tors. eta vs tors. theta energy: -112.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1254.349579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.349579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.349579 (E_RNA)
where:
Base-Base interactions energy: -804.783
where: short stacking energy: -360.852
Base-Backbone interact. energy: 2.134
local terms energy: -451.700423
where:
bonds (distance) C4'-P energy: -107.131
bonds (distance) P-C4' energy: -104.941
flat angles C4'-P-C4' energy: -104.014
flat angles P-C4'-P energy: -65.527
tors. eta vs tors. theta energy: -70.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -976.135076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.135076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.135076 (E_RNA)
where:
Base-Base interactions energy: -584.938
where: short stacking energy: -279.733
Base-Backbone interact. energy: -0.975
local terms energy: -390.221533
where:
bonds (distance) C4'-P energy: -91.791
bonds (distance) P-C4' energy: -93.568
flat angles C4'-P-C4' energy: -93.335
flat angles P-C4'-P energy: -61.675
tors. eta vs tors. theta energy: -49.852
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: 10
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -783.453840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.453840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.453840 (E_RNA)
where:
Base-Base interactions energy: -418.517
where: short stacking energy: -228.964
Base-Backbone interact. energy: -2.030
local terms energy: -362.907181
where:
bonds (distance) C4'-P energy: -93.331
bonds (distance) P-C4' energy: -104.939
flat angles C4'-P-C4' energy: -94.633
flat angles P-C4'-P energy: -51.634
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -556.319510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.319510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.319510 (E_RNA)
where:
Base-Base interactions energy: -242.012
where: short stacking energy: -177.970
Base-Backbone interact. energy: 3.370
local terms energy: -317.678066
where:
bonds (distance) C4'-P energy: -88.727
bonds (distance) P-C4' energy: -103.231
flat angles C4'-P-C4' energy: -74.659
flat angles P-C4'-P energy: -44.492
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -463.720936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.720936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.720936 (E_RNA)
where:
Base-Base interactions energy: -148.729
where: short stacking energy: -123.134
Base-Backbone interact. energy: 0.822
local terms energy: -315.813954
where:
bonds (distance) C4'-P energy: -91.590
bonds (distance) P-C4' energy: -115.448
flat angles C4'-P-C4' energy: -66.793
flat angles P-C4'-P energy: -64.576
tors. eta vs tors. theta energy: 22.592
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: 94
Temperature: 0.900000
Total energy: -1918.696332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.696332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.696332 (E_RNA)
where:
Base-Base interactions energy: -1314.219
where: short stacking energy: -545.383
Base-Backbone interact. energy: -2.948
local terms energy: -601.529382
where:
bonds (distance) C4'-P energy: -119.369
bonds (distance) P-C4' energy: -113.671
flat angles C4'-P-C4' energy: -133.817
flat angles P-C4'-P energy: -78.973
tors. eta vs tors. theta energy: -155.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1866.420441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.420441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.420441 (E_RNA)
where:
Base-Base interactions energy: -1264.956
where: short stacking energy: -551.078
Base-Backbone interact. energy: -1.131
local terms energy: -600.333756
where:
bonds (distance) C4'-P energy: -121.193
bonds (distance) P-C4' energy: -111.866
flat angles C4'-P-C4' energy: -117.886
flat angles P-C4'-P energy: -92.926
tors. eta vs tors. theta energy: -156.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1843.855296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.855296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.855296 (E_RNA)
where:
Base-Base interactions energy: -1280.932
where: short stacking energy: -541.394
Base-Backbone interact. energy: 2.257
local terms energy: -565.180576
where:
bonds (distance) C4'-P energy: -107.438
bonds (distance) P-C4' energy: -93.180
flat angles C4'-P-C4' energy: -131.577
flat angles P-C4'-P energy: -73.725
tors. eta vs tors. theta energy: -159.261
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: 6
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1689.403249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.403249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.403249 (E_RNA)
where:
Base-Base interactions energy: -1142.571
where: short stacking energy: -499.316
Base-Backbone interact. energy: -2.984
local terms energy: -543.848138
where:
bonds (distance) C4'-P energy: -106.057
bonds (distance) P-C4' energy: -107.195
flat angles C4'-P-C4' energy: -115.225
flat angles P-C4'-P energy: -72.279
tors. eta vs tors. theta energy: -143.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1375.981387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.981387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.981387 (E_RNA)
where:
Base-Base interactions energy: -901.898
where: short stacking energy: -401.759
Base-Backbone interact. energy: 0.987
local terms energy: -475.070366
where:
bonds (distance) C4'-P energy: -110.700
bonds (distance) P-C4' energy: -93.097
flat angles C4'-P-C4' energy: -105.715
flat angles P-C4'-P energy: -73.539
tors. eta vs tors. theta energy: -92.020
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: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1269.073652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.073652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.073652 (E_RNA)
where:
Base-Base interactions energy: -819.881
where: short stacking energy: -384.277
Base-Backbone interact. energy: 2.650
local terms energy: -451.842564
where:
bonds (distance) C4'-P energy: -93.032
bonds (distance) P-C4' energy: -102.022
flat angles C4'-P-C4' energy: -108.557
flat angles P-C4'-P energy: -54.610
tors. eta vs tors. theta energy: -93.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -947.468395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.468395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.468395 (E_RNA)
where:
Base-Base interactions energy: -578.093
where: short stacking energy: -285.687
Base-Backbone interact. energy: 0.267
local terms energy: -369.641794
where:
bonds (distance) C4'-P energy: -95.503
bonds (distance) P-C4' energy: -102.482
flat angles C4'-P-C4' energy: -82.951
flat angles P-C4'-P energy: -56.230
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: 8, replica: 10
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -850.827176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.827176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.827176 (E_RNA)
where:
Base-Base interactions energy: -482.640
where: short stacking energy: -237.514
Base-Backbone interact. energy: -2.150
local terms energy: -366.036841
where:
bonds (distance) C4'-P energy: -108.013
bonds (distance) P-C4' energy: -95.231
flat angles C4'-P-C4' energy: -91.259
flat angles P-C4'-P energy: -44.273
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -542.420176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.420176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.420176 (E_RNA)
where:
Base-Base interactions energy: -233.560
where: short stacking energy: -151.639
Base-Backbone interact. energy: -1.768
local terms energy: -307.092235
where:
bonds (distance) C4'-P energy: -88.470
bonds (distance) P-C4' energy: -99.578
flat angles C4'-P-C4' energy: -84.523
flat angles P-C4'-P energy: -50.891
tors. eta vs tors. theta energy: 16.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -426.341849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.341849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.341849 (E_RNA)
where:
Base-Base interactions energy: -169.454
where: short stacking energy: -123.156
Base-Backbone interact. energy: -3.338
local terms energy: -253.549429
where:
bonds (distance) C4'-P energy: -89.184
bonds (distance) P-C4' energy: -90.296
flat angles C4'-P-C4' energy: -91.545
flat angles P-C4'-P energy: -31.997
tors. eta vs tors. theta energy: 49.472
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: 1, replica: 9
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1913.777237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.777237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.777237 (E_RNA)
where:
Base-Base interactions energy: -1311.023
where: short stacking energy: -538.887
Base-Backbone interact. energy: -2.011
local terms energy: -600.742667
where:
bonds (distance) C4'-P energy: -115.875
bonds (distance) P-C4' energy: -125.238
flat angles C4'-P-C4' energy: -139.430
flat angles P-C4'-P energy: -82.356
tors. eta vs tors. theta energy: -137.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1912.045748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.045748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.045748 (E_RNA)
where:
Base-Base interactions energy: -1317.900
where: short stacking energy: -565.779
Base-Backbone interact. energy: -0.616
local terms energy: -593.529318
where:
bonds (distance) C4'-P energy: -115.385
bonds (distance) P-C4' energy: -114.705
flat angles C4'-P-C4' energy: -116.768
flat angles P-C4'-P energy: -90.175
tors. eta vs tors. theta energy: -156.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1796.366843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.366843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.366843 (E_RNA)
where:
Base-Base interactions energy: -1212.605
where: short stacking energy: -518.768
Base-Backbone interact. energy: 0.014
local terms energy: -583.776269
where:
bonds (distance) C4'-P energy: -104.309
bonds (distance) P-C4' energy: -110.019
flat angles C4'-P-C4' energy: -122.470
flat angles P-C4'-P energy: -87.320
tors. eta vs tors. theta energy: -159.658
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: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1722.850230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.850230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.850230 (E_RNA)
where:
Base-Base interactions energy: -1148.515
where: short stacking energy: -509.945
Base-Backbone interact. energy: -2.485
local terms energy: -571.850203
where:
bonds (distance) C4'-P energy: -116.378
bonds (distance) P-C4' energy: -117.848
flat angles C4'-P-C4' energy: -126.496
flat angles P-C4'-P energy: -62.217
tors. eta vs tors. theta energy: -148.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1429.932262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.932262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.932262 (E_RNA)
where:
Base-Base interactions energy: -928.642
where: short stacking energy: -433.528
Base-Backbone interact. energy: -1.774
local terms energy: -499.516461
where:
bonds (distance) C4'-P energy: -104.937
bonds (distance) P-C4' energy: -114.177
flat angles C4'-P-C4' energy: -91.109
flat angles P-C4'-P energy: -80.960
tors. eta vs tors. theta energy: -108.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1306.379931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.379931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.379931 (E_RNA)
where:
Base-Base interactions energy: -828.088
where: short stacking energy: -369.477
Base-Backbone interact. energy: 2.523
local terms energy: -480.815453
where:
bonds (distance) C4'-P energy: -108.074
bonds (distance) P-C4' energy: -104.768
flat angles C4'-P-C4' energy: -103.672
flat angles P-C4'-P energy: -75.225
tors. eta vs tors. theta energy: -89.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1044.058689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.058689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.058689 (E_RNA)
where:
Base-Base interactions energy: -621.413
where: short stacking energy: -280.594
Base-Backbone interact. energy: -2.766
local terms energy: -419.879544
where:
bonds (distance) C4'-P energy: -107.072
bonds (distance) P-C4' energy: -101.405
flat angles C4'-P-C4' energy: -105.362
flat angles P-C4'-P energy: -48.782
tors. eta vs tors. theta energy: -57.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -830.111828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.111828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.111828 (E_RNA)
where:
Base-Base interactions energy: -464.538
where: short stacking energy: -237.791
Base-Backbone interact. energy: 0.279
local terms energy: -365.852787
where:
bonds (distance) C4'-P energy: -97.592
bonds (distance) P-C4' energy: -114.090
flat angles C4'-P-C4' energy: -84.099
flat angles P-C4'-P energy: -46.315
tors. eta vs tors. theta energy: -23.757
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: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -482.041947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.041947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.041947 (E_RNA)
where:
Base-Base interactions energy: -149.504
where: short stacking energy: -138.563
Base-Backbone interact. energy: -1.133
local terms energy: -331.404754
where:
bonds (distance) C4'-P energy: -95.189
bonds (distance) P-C4' energy: -112.676
flat angles C4'-P-C4' energy: -67.870
flat angles P-C4'-P energy: -40.139
tors. eta vs tors. theta energy: -15.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -450.198022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.198022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.198022 (E_RNA)
where:
Base-Base interactions energy: -148.816
where: short stacking energy: -133.971
Base-Backbone interact. energy: 3.271
local terms energy: -304.652919
where:
bonds (distance) C4'-P energy: -85.031
bonds (distance) P-C4' energy: -114.862
flat angles C4'-P-C4' energy: -72.673
flat angles P-C4'-P energy: -41.002
tors. eta vs tors. theta energy: 8.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1932.896253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.896253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.896253 (E_RNA)
where:
Base-Base interactions energy: -1337.199
where: short stacking energy: -550.440
Base-Backbone interact. energy: -2.852
local terms energy: -592.845365
where:
bonds (distance) C4'-P energy: -112.458
bonds (distance) P-C4' energy: -112.605
flat angles C4'-P-C4' energy: -140.779
flat angles P-C4'-P energy: -83.306
tors. eta vs tors. theta energy: -143.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1905.812144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.812144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.812144 (E_RNA)
where:
Base-Base interactions energy: -1306.013
where: short stacking energy: -547.544
Base-Backbone interact. energy: -2.675
local terms energy: -597.123833
where:
bonds (distance) C4'-P energy: -119.901
bonds (distance) P-C4' energy: -122.020
flat angles C4'-P-C4' energy: -126.387
flat angles P-C4'-P energy: -83.876
tors. eta vs tors. theta energy: -144.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1787.741248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.741248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.741248 (E_RNA)
where:
Base-Base interactions energy: -1200.222
where: short stacking energy: -518.108
Base-Backbone interact. energy: 0.452
local terms energy: -587.971205
where:
bonds (distance) C4'-P energy: -120.243
bonds (distance) P-C4' energy: -99.985
flat angles C4'-P-C4' energy: -125.319
flat angles P-C4'-P energy: -88.576
tors. eta vs tors. theta energy: -153.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1657.774734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.774734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.774734 (E_RNA)
where:
Base-Base interactions energy: -1087.904
where: short stacking energy: -471.586
Base-Backbone interact. energy: -1.718
local terms energy: -568.152179
where:
bonds (distance) C4'-P energy: -117.682
bonds (distance) P-C4' energy: -114.560
flat angles C4'-P-C4' energy: -118.125
flat angles P-C4'-P energy: -75.500
tors. eta vs tors. theta energy: -142.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1382.262097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.262097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.262097 (E_RNA)
where:
Base-Base interactions energy: -854.315
where: short stacking energy: -414.021
Base-Backbone interact. energy: -2.866
local terms energy: -525.080759
where:
bonds (distance) C4'-P energy: -104.248
bonds (distance) P-C4' energy: -122.602
flat angles C4'-P-C4' energy: -112.669
flat angles P-C4'-P energy: -76.708
tors. eta vs tors. theta energy: -108.854
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: 2
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1227.871344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.871344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.871344 (E_RNA)
where:
Base-Base interactions energy: -766.848
where: short stacking energy: -353.829
Base-Backbone interact. energy: -0.441
local terms energy: -460.582363
where:
bonds (distance) C4'-P energy: -94.352
bonds (distance) P-C4' energy: -86.215
flat angles C4'-P-C4' energy: -110.917
flat angles P-C4'-P energy: -78.301
tors. eta vs tors. theta energy: -90.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -970.017692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.017692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.017692 (E_RNA)
where:
Base-Base interactions energy: -579.494
where: short stacking energy: -282.361
Base-Backbone interact. energy: 1.374
local terms energy: -391.897316
where:
bonds (distance) C4'-P energy: -101.930
bonds (distance) P-C4' energy: -114.843
flat angles C4'-P-C4' energy: -80.765
flat angles P-C4'-P energy: -52.595
tors. eta vs tors. theta energy: -41.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -872.748673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.748673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.748673 (E_RNA)
where:
Base-Base interactions energy: -469.708
where: short stacking energy: -236.469
Base-Backbone interact. energy: -0.097
local terms energy: -402.943736
where:
bonds (distance) C4'-P energy: -109.211
bonds (distance) P-C4' energy: -98.833
flat angles C4'-P-C4' energy: -94.299
flat angles P-C4'-P energy: -73.007
tors. eta vs tors. theta energy: -27.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -477.530973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.530973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.530973 (E_RNA)
where:
Base-Base interactions energy: -140.659
where: short stacking energy: -134.929
Base-Backbone interact. energy: -2.843
local terms energy: -334.028603
where:
bonds (distance) C4'-P energy: -115.246
bonds (distance) P-C4' energy: -105.938
flat angles C4'-P-C4' energy: -79.690
flat angles P-C4'-P energy: -43.190
tors. eta vs tors. theta energy: 10.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -464.677663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.677663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.677663 (E_RNA)
where:
Base-Base interactions energy: -169.149
where: short stacking energy: -137.812
Base-Backbone interact. energy: 1.098
local terms energy: -296.626972
where:
bonds (distance) C4'-P energy: -79.982
bonds (distance) P-C4' energy: -102.867
flat angles C4'-P-C4' energy: -96.661
flat angles P-C4'-P energy: -42.464
tors. eta vs tors. theta energy: 25.348
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: 1, replica: 9
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1934.641904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.641904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.641904 (E_RNA)
where:
Base-Base interactions energy: -1328.449
where: short stacking energy: -533.213
Base-Backbone interact. energy: 3.473
local terms energy: -609.665883
where:
bonds (distance) C4'-P energy: -122.902
bonds (distance) P-C4' energy: -124.371
flat angles C4'-P-C4' energy: -133.194
flat angles P-C4'-P energy: -87.946
tors. eta vs tors. theta energy: -141.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1911.505746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.505746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.505746 (E_RNA)
where:
Base-Base interactions energy: -1339.561
where: short stacking energy: -555.676
Base-Backbone interact. energy: -2.654
local terms energy: -569.290917
where:
bonds (distance) C4'-P energy: -99.242
bonds (distance) P-C4' energy: -119.443
flat angles C4'-P-C4' energy: -130.789
flat angles P-C4'-P energy: -73.827
tors. eta vs tors. theta energy: -145.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1788.623009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.623009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.623009 (E_RNA)
where:
Base-Base interactions energy: -1187.289
where: short stacking energy: -518.355
Base-Backbone interact. energy: -0.991
local terms energy: -600.343706
where:
bonds (distance) C4'-P energy: -108.742
bonds (distance) P-C4' energy: -108.385
flat angles C4'-P-C4' energy: -132.920
flat angles P-C4'-P energy: -89.118
tors. eta vs tors. theta energy: -161.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1605.730975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.730975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.730975 (E_RNA)
where:
Base-Base interactions energy: -1062.120
where: short stacking energy: -453.934
Base-Backbone interact. energy: -0.855
local terms energy: -542.756358
where:
bonds (distance) C4'-P energy: -113.816
bonds (distance) P-C4' energy: -104.859
flat angles C4'-P-C4' energy: -118.959
flat angles P-C4'-P energy: -67.213
tors. eta vs tors. theta energy: -137.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1343.266881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.266881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.266881 (E_RNA)
where:
Base-Base interactions energy: -873.847
where: short stacking energy: -394.502
Base-Backbone interact. energy: -0.805
local terms energy: -468.615376
where:
bonds (distance) C4'-P energy: -107.039
bonds (distance) P-C4' energy: -103.978
flat angles C4'-P-C4' energy: -110.935
flat angles P-C4'-P energy: -59.693
tors. eta vs tors. theta energy: -86.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1245.852220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.852220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.852220 (E_RNA)
where:
Base-Base interactions energy: -793.180
where: short stacking energy: -371.520
Base-Backbone interact. energy: 1.332
local terms energy: -454.004173
where:
bonds (distance) C4'-P energy: -106.868
bonds (distance) P-C4' energy: -97.801
flat angles C4'-P-C4' energy: -104.695
flat angles P-C4'-P energy: -64.305
tors. eta vs tors. theta energy: -80.335
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: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -915.163401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.163401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.163401 (E_RNA)
where:
Base-Base interactions energy: -524.792
where: short stacking energy: -267.642
Base-Backbone interact. energy: -1.577
local terms energy: -388.794334
where:
bonds (distance) C4'-P energy: -93.900
bonds (distance) P-C4' energy: -110.067
flat angles C4'-P-C4' energy: -110.508
flat angles P-C4'-P energy: -42.678
tors. eta vs tors. theta energy: -31.642
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: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -875.104585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.104585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.104585 (E_RNA)
where:
Base-Base interactions energy: -498.156
where: short stacking energy: -250.789
Base-Backbone interact. energy: 0.461
local terms energy: -377.410002
where:
bonds (distance) C4'-P energy: -109.187
bonds (distance) P-C4' energy: -99.458
flat angles C4'-P-C4' energy: -84.601
flat angles P-C4'-P energy: -52.813
tors. eta vs tors. theta energy: -31.350
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: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -492.614388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.614388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.614388 (E_RNA)
where:
Base-Base interactions energy: -203.116
where: short stacking energy: -122.119
Base-Backbone interact. energy: 0.452
local terms energy: -289.950386
where:
bonds (distance) C4'-P energy: -86.555
bonds (distance) P-C4' energy: -100.018
flat angles C4'-P-C4' energy: -70.156
flat angles P-C4'-P energy: -56.240
tors. eta vs tors. theta energy: 23.019
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: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -449.671412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.671412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.671412 (E_RNA)
where:
Base-Base interactions energy: -145.789
where: short stacking energy: -116.211
Base-Backbone interact. energy: 0.704
local terms energy: -304.585939
where:
bonds (distance) C4'-P energy: -91.300
bonds (distance) P-C4' energy: -100.182
flat angles C4'-P-C4' energy: -85.419
flat angles P-C4'-P energy: -59.249
tors. eta vs tors. theta energy: 31.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1965.967368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.967368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.967368 (E_RNA)
where:
Base-Base interactions energy: -1343.727
where: short stacking energy: -543.453
Base-Backbone interact. energy: 1.775
local terms energy: -624.014888
where:
bonds (distance) C4'-P energy: -122.833
bonds (distance) P-C4' energy: -119.533
flat angles C4'-P-C4' energy: -139.187
flat angles P-C4'-P energy: -91.808
tors. eta vs tors. theta energy: -150.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1910.554374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.554374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.554374 (E_RNA)
where:
Base-Base interactions energy: -1322.915
where: short stacking energy: -570.411
Base-Backbone interact. energy: -1.968
local terms energy: -585.671816
where:
bonds (distance) C4'-P energy: -113.937
bonds (distance) P-C4' energy: -105.991
flat angles C4'-P-C4' energy: -131.758
flat angles P-C4'-P energy: -75.762
tors. eta vs tors. theta energy: -158.224
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: 8
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1791.619645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.619645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.619645 (E_RNA)
where:
Base-Base interactions energy: -1218.917
where: short stacking energy: -520.788
Base-Backbone interact. energy: -2.426
local terms energy: -570.277018
where:
bonds (distance) C4'-P energy: -103.335
bonds (distance) P-C4' energy: -106.635
flat angles C4'-P-C4' energy: -121.498
flat angles P-C4'-P energy: -80.212
tors. eta vs tors. theta energy: -158.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1625.073812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.073812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.073812 (E_RNA)
where:
Base-Base interactions energy: -1066.761
where: short stacking energy: -475.581
Base-Backbone interact. energy: -1.798
local terms energy: -556.515102
where:
bonds (distance) C4'-P energy: -108.271
bonds (distance) P-C4' energy: -121.858
flat angles C4'-P-C4' energy: -112.077
flat angles P-C4'-P energy: -80.298
tors. eta vs tors. theta energy: -134.011
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: 98
Temperature: 1.100000
Total energy: -1314.884971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.884971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.884971 (E_RNA)
where:
Base-Base interactions energy: -843.520
where: short stacking energy: -365.303
Base-Backbone interact. energy: 4.092
local terms energy: -475.457462
where:
bonds (distance) C4'-P energy: -83.407
bonds (distance) P-C4' energy: -117.753
flat angles C4'-P-C4' energy: -114.349
flat angles P-C4'-P energy: -72.885
tors. eta vs tors. theta energy: -87.063
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: 2
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1245.153042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.153042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.153042 (E_RNA)
where:
Base-Base interactions energy: -761.591
where: short stacking energy: -362.154
Base-Backbone interact. energy: -3.195
local terms energy: -480.367154
where:
bonds (distance) C4'-P energy: -105.273
bonds (distance) P-C4' energy: -104.846
flat angles C4'-P-C4' energy: -117.568
flat angles P-C4'-P energy: -64.231
tors. eta vs tors. theta energy: -88.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -991.926323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.926323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.926323 (E_RNA)
where:
Base-Base interactions energy: -616.346
where: short stacking energy: -297.017
Base-Backbone interact. energy: 3.694
local terms energy: -379.274169
where:
bonds (distance) C4'-P energy: -93.154
bonds (distance) P-C4' energy: -99.527
flat angles C4'-P-C4' energy: -91.802
flat angles P-C4'-P energy: -54.361
tors. eta vs tors. theta energy: -40.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -834.811960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.811960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.811960 (E_RNA)
where:
Base-Base interactions energy: -500.597
where: short stacking energy: -230.408
Base-Backbone interact. energy: 0.676
local terms energy: -334.891635
where:
bonds (distance) C4'-P energy: -79.556
bonds (distance) P-C4' energy: -86.714
flat angles C4'-P-C4' energy: -83.821
flat angles P-C4'-P energy: -72.631
tors. eta vs tors. theta energy: -12.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -572.765056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.765056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.765056 (E_RNA)
where:
Base-Base interactions energy: -246.751
where: short stacking energy: -146.445
Base-Backbone interact. energy: 0.083
local terms energy: -326.097172
where:
bonds (distance) C4'-P energy: -102.381
bonds (distance) P-C4' energy: -100.318
flat angles C4'-P-C4' energy: -88.483
flat angles P-C4'-P energy: -43.838
tors. eta vs tors. theta energy: 8.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -455.709742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.709742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.709742 (E_RNA)
where:
Base-Base interactions energy: -171.172
where: short stacking energy: -129.821
Base-Backbone interact. energy: -1.438
local terms energy: -283.099324
where:
bonds (distance) C4'-P energy: -78.760
bonds (distance) P-C4' energy: -97.132
flat angles C4'-P-C4' energy: -81.968
flat angles P-C4'-P energy: -51.699
tors. eta vs tors. theta energy: 26.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1980.688751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.688751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.688751 (E_RNA)
where:
Base-Base interactions energy: -1364.018
where: short stacking energy: -576.105
Base-Backbone interact. energy: -2.435
local terms energy: -614.234894
where:
bonds (distance) C4'-P energy: -112.590
bonds (distance) P-C4' energy: -127.184
flat angles C4'-P-C4' energy: -131.258
flat angles P-C4'-P energy: -89.679
tors. eta vs tors. theta energy: -153.524
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: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1956.296456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.296456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.296456 (E_RNA)
where:
Base-Base interactions energy: -1356.341
where: short stacking energy: -554.432
Base-Backbone interact. energy: -3.757
local terms energy: -596.198363
where:
bonds (distance) C4'-P energy: -110.395
bonds (distance) P-C4' energy: -117.273
flat angles C4'-P-C4' energy: -130.642
flat angles P-C4'-P energy: -78.596
tors. eta vs tors. theta energy: -159.292
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: 8
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1803.072864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.072864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.072864 (E_RNA)
where:
Base-Base interactions energy: -1215.404
where: short stacking energy: -534.323
Base-Backbone interact. energy: -1.365
local terms energy: -586.304081
where:
bonds (distance) C4'-P energy: -115.456
bonds (distance) P-C4' energy: -105.370
flat angles C4'-P-C4' energy: -118.703
flat angles P-C4'-P energy: -85.853
tors. eta vs tors. theta energy: -160.922
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: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1658.191934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.191934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.191934 (E_RNA)
where:
Base-Base interactions energy: -1107.850
where: short stacking energy: -488.547
Base-Backbone interact. energy: -4.622
local terms energy: -545.720131
where:
bonds (distance) C4'-P energy: -103.165
bonds (distance) P-C4' energy: -103.904
flat angles C4'-P-C4' energy: -117.032
flat angles P-C4'-P energy: -77.984
tors. eta vs tors. theta energy: -143.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1367.036489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.036489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.036489 (E_RNA)
where:
Base-Base interactions energy: -873.023
where: short stacking energy: -369.151
Base-Backbone interact. energy: -4.007
local terms energy: -490.006175
where:
bonds (distance) C4'-P energy: -108.827
bonds (distance) P-C4' energy: -105.460
flat angles C4'-P-C4' energy: -107.092
flat angles P-C4'-P energy: -70.355
tors. eta vs tors. theta energy: -98.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1254.788035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.788035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.788035 (E_RNA)
where:
Base-Base interactions energy: -788.961
where: short stacking energy: -373.811
Base-Backbone interact. energy: -3.332
local terms energy: -462.494846
where:
bonds (distance) C4'-P energy: -109.913
bonds (distance) P-C4' energy: -102.236
flat angles C4'-P-C4' energy: -94.361
flat angles P-C4'-P energy: -64.994
tors. eta vs tors. theta energy: -90.991
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: 10
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -935.336869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.336869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.336869 (E_RNA)
where:
Base-Base interactions energy: -538.636
where: short stacking energy: -313.068
Base-Backbone interact. energy: -4.725
local terms energy: -391.976148
where:
bonds (distance) C4'-P energy: -99.425
bonds (distance) P-C4' energy: -95.238
flat angles C4'-P-C4' energy: -95.993
flat angles P-C4'-P energy: -51.348
tors. eta vs tors. theta energy: -49.972
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: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -839.317129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.317129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.317129 (E_RNA)
where:
Base-Base interactions energy: -486.937
where: short stacking energy: -250.484
Base-Backbone interact. energy: 8.572
local terms energy: -360.952022
where:
bonds (distance) C4'-P energy: -90.594
bonds (distance) P-C4' energy: -95.865
flat angles C4'-P-C4' energy: -85.336
flat angles P-C4'-P energy: -61.619
tors. eta vs tors. theta energy: -27.537
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: 9, replica: 4
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -534.420894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.420894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.420894 (E_RNA)
where:
Base-Base interactions energy: -217.183
where: short stacking energy: -155.025
Base-Backbone interact. energy: 4.171
local terms energy: -321.408920
where:
bonds (distance) C4'-P energy: -88.774
bonds (distance) P-C4' energy: -109.826
flat angles C4'-P-C4' energy: -80.504
flat angles P-C4'-P energy: -53.319
tors. eta vs tors. theta energy: 11.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -444.704009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.704009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.704009 (E_RNA)
where:
Base-Base interactions energy: -131.056
where: short stacking energy: -114.528
Base-Backbone interact. energy: 1.106
local terms energy: -314.754116
where:
bonds (distance) C4'-P energy: -89.733
bonds (distance) P-C4' energy: -97.518
flat angles C4'-P-C4' energy: -83.765
flat angles P-C4'-P energy: -48.598
tors. eta vs tors. theta energy: 4.860
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: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1981.147377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.147377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.147377 (E_RNA)
where:
Base-Base interactions energy: -1357.259
where: short stacking energy: -560.401
Base-Backbone interact. energy: -1.020
local terms energy: -622.868608
where:
bonds (distance) C4'-P energy: -124.008
bonds (distance) P-C4' energy: -116.166
flat angles C4'-P-C4' energy: -128.684
flat angles P-C4'-P energy: -90.647
tors. eta vs tors. theta energy: -163.364
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: 2, replica: 9
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1897.214633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.214633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.214633 (E_RNA)
where:
Base-Base interactions energy: -1298.551
where: short stacking energy: -528.975
Base-Backbone interact. energy: -3.130
local terms energy: -595.533236
where:
bonds (distance) C4'-P energy: -116.538
bonds (distance) P-C4' energy: -112.049
flat angles C4'-P-C4' energy: -131.762
flat angles P-C4'-P energy: -82.924
tors. eta vs tors. theta energy: -152.260
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: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1798.618954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.618954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.618954 (E_RNA)
where:
Base-Base interactions energy: -1221.371
where: short stacking energy: -540.435
Base-Backbone interact. energy: -3.330
local terms energy: -573.918445
where:
bonds (distance) C4'-P energy: -115.784
bonds (distance) P-C4' energy: -104.849
flat angles C4'-P-C4' energy: -123.993
flat angles P-C4'-P energy: -74.198
tors. eta vs tors. theta energy: -155.095
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: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1641.854642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.854642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.854642 (E_RNA)
where:
Base-Base interactions energy: -1113.108
where: short stacking energy: -514.021
Base-Backbone interact. energy: -0.717
local terms energy: -528.029549
where:
bonds (distance) C4'-P energy: -93.458
bonds (distance) P-C4' energy: -114.414
flat angles C4'-P-C4' energy: -105.917
flat angles P-C4'-P energy: -60.863
tors. eta vs tors. theta energy: -153.377
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: 3
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1361.551176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.551176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.551176 (E_RNA)
where:
Base-Base interactions energy: -879.955
where: short stacking energy: -415.686
Base-Backbone interact. energy: -2.231
local terms energy: -479.365743
where:
bonds (distance) C4'-P energy: -90.903
bonds (distance) P-C4' energy: -99.075
flat angles C4'-P-C4' energy: -102.548
flat angles P-C4'-P energy: -72.007
tors. eta vs tors. theta energy: -114.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1247.512926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.512926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.512926 (E_RNA)
where:
Base-Base interactions energy: -794.797
where: short stacking energy: -383.022
Base-Backbone interact. energy: -1.490
local terms energy: -451.226469
where:
bonds (distance) C4'-P energy: -75.062
bonds (distance) P-C4' energy: -119.300
flat angles C4'-P-C4' energy: -107.234
flat angles P-C4'-P energy: -63.011
tors. eta vs tors. theta energy: -86.620
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: 10
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -867.613220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.613220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.613220 (E_RNA)
where:
Base-Base interactions energy: -499.409
where: short stacking energy: -270.507
Base-Backbone interact. energy: -0.656
local terms energy: -367.548585
where:
bonds (distance) C4'-P energy: -110.678
bonds (distance) P-C4' energy: -96.343
flat angles C4'-P-C4' energy: -92.028
flat angles P-C4'-P energy: -47.289
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -859.596419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.596419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.596419 (E_RNA)
where:
Base-Base interactions energy: -494.461
where: short stacking energy: -249.966
Base-Backbone interact. energy: -0.475
local terms energy: -364.660080
where:
bonds (distance) C4'-P energy: -103.637
bonds (distance) P-C4' energy: -104.027
flat angles C4'-P-C4' energy: -88.595
flat angles P-C4'-P energy: -50.600
tors. eta vs tors. theta energy: -17.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -500.980357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.980357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.980357 (E_RNA)
where:
Base-Base interactions energy: -187.768
where: short stacking energy: -149.061
Base-Backbone interact. energy: 2.728
local terms energy: -315.940874
where:
bonds (distance) C4'-P energy: -96.581
bonds (distance) P-C4' energy: -93.936
flat angles C4'-P-C4' energy: -94.378
flat angles P-C4'-P energy: -42.218
tors. eta vs tors. theta energy: 11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -520.596730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.596730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.596730 (E_RNA)
where:
Base-Base interactions energy: -215.722
where: short stacking energy: -144.342
Base-Backbone interact. energy: 0.292
local terms energy: -305.166775
where:
bonds (distance) C4'-P energy: -80.814
bonds (distance) P-C4' energy: -114.733
flat angles C4'-P-C4' energy: -77.827
flat angles P-C4'-P energy: -52.191
tors. eta vs tors. theta energy: 20.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1991.263466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.263466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.263466 (E_RNA)
where:
Base-Base interactions energy: -1365.531
where: short stacking energy: -567.325
Base-Backbone interact. energy: -1.951
local terms energy: -623.781567
where:
bonds (distance) C4'-P energy: -123.959
bonds (distance) P-C4' energy: -132.439
flat angles C4'-P-C4' energy: -133.882
flat angles P-C4'-P energy: -78.186
tors. eta vs tors. theta energy: -155.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1907.324046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.324046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.324046 (E_RNA)
where:
Base-Base interactions energy: -1294.144
where: short stacking energy: -549.630
Base-Backbone interact. energy: -2.715
local terms energy: -610.465541
where:
bonds (distance) C4'-P energy: -115.648
bonds (distance) P-C4' energy: -119.789
flat angles C4'-P-C4' energy: -125.544
flat angles P-C4'-P energy: -95.799
tors. eta vs tors. theta energy: -153.685
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: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1798.531219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.531219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.531219 (E_RNA)
where:
Base-Base interactions energy: -1214.669
where: short stacking energy: -526.338
Base-Backbone interact. energy: -1.239
local terms energy: -582.622610
where:
bonds (distance) C4'-P energy: -119.541
bonds (distance) P-C4' energy: -116.345
flat angles C4'-P-C4' energy: -122.075
flat angles P-C4'-P energy: -73.803
tors. eta vs tors. theta energy: -150.858
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: 6
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1589.982237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.982237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.982237 (E_RNA)
where:
Base-Base interactions energy: -1026.645
where: short stacking energy: -447.145
Base-Backbone interact. energy: -3.042
local terms energy: -560.295830
where:
bonds (distance) C4'-P energy: -107.001
bonds (distance) P-C4' energy: -110.885
flat angles C4'-P-C4' energy: -124.469
flat angles P-C4'-P energy: -81.488
tors. eta vs tors. theta energy: -136.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1366.408330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.408330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.408330 (E_RNA)
where:
Base-Base interactions energy: -887.682
where: short stacking energy: -410.861
Base-Backbone interact. energy: 0.182
local terms energy: -478.908498
where:
bonds (distance) C4'-P energy: -91.980
bonds (distance) P-C4' energy: -110.175
flat angles C4'-P-C4' energy: -122.188
flat angles P-C4'-P energy: -64.172
tors. eta vs tors. theta energy: -90.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1247.579725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.579725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.579725 (E_RNA)
where:
Base-Base interactions energy: -764.990
where: short stacking energy: -349.605
Base-Backbone interact. energy: -4.056
local terms energy: -478.533782
where:
bonds (distance) C4'-P energy: -90.870
bonds (distance) P-C4' energy: -113.193
flat angles C4'-P-C4' energy: -111.393
flat angles P-C4'-P energy: -79.909
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: 7, replica: 10
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -858.023868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.023868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.023868 (E_RNA)
where:
Base-Base interactions energy: -481.269
where: short stacking energy: -252.635
Base-Backbone interact. energy: -3.211
local terms energy: -373.543859
where:
bonds (distance) C4'-P energy: -91.295
bonds (distance) P-C4' energy: -93.804
flat angles C4'-P-C4' energy: -98.320
flat angles P-C4'-P energy: -59.970
tors. eta vs tors. theta energy: -30.154
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: 8, replica: 5
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -799.767419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.767419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.767419 (E_RNA)
where:
Base-Base interactions energy: -433.011
where: short stacking energy: -238.574
Base-Backbone interact. energy: 0.112
local terms energy: -366.868086
where:
bonds (distance) C4'-P energy: -92.670
bonds (distance) P-C4' energy: -77.588
flat angles C4'-P-C4' energy: -117.695
flat angles P-C4'-P energy: -48.720
tors. eta vs tors. theta energy: -30.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -513.472051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.472051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.472051 (E_RNA)
where:
Base-Base interactions energy: -203.799
where: short stacking energy: -164.292
Base-Backbone interact. energy: 5.755
local terms energy: -315.427708
where:
bonds (distance) C4'-P energy: -91.667
bonds (distance) P-C4' energy: -112.086
flat angles C4'-P-C4' energy: -58.905
flat angles P-C4'-P energy: -47.791
tors. eta vs tors. theta energy: -4.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -514.927274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.927274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.927274 (E_RNA)
where:
Base-Base interactions energy: -222.208
where: short stacking energy: -142.327
Base-Backbone interact. energy: 0.329
local terms energy: -293.048175
where:
bonds (distance) C4'-P energy: -84.838
bonds (distance) P-C4' energy: -83.703
flat angles C4'-P-C4' energy: -95.097
flat angles P-C4'-P energy: -38.938
tors. eta vs tors. theta energy: 9.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -2007.067379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.067379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.067379 (E_RNA)
where:
Base-Base interactions energy: -1378.903
where: short stacking energy: -582.425
Base-Backbone interact. energy: -2.563
local terms energy: -625.600984
where:
bonds (distance) C4'-P energy: -119.701
bonds (distance) P-C4' energy: -123.047
flat angles C4'-P-C4' energy: -131.189
flat angles P-C4'-P energy: -89.037
tors. eta vs tors. theta energy: -162.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1893.471627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.471627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.471627 (E_RNA)
where:
Base-Base interactions energy: -1310.032
where: short stacking energy: -548.719
Base-Backbone interact. energy: -4.838
local terms energy: -578.601720
where:
bonds (distance) C4'-P energy: -97.957
bonds (distance) P-C4' energy: -113.435
flat angles C4'-P-C4' energy: -133.451
flat angles P-C4'-P energy: -82.096
tors. eta vs tors. theta energy: -151.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1815.889725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.889725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.889725 (E_RNA)
where:
Base-Base interactions energy: -1233.128
where: short stacking energy: -544.014
Base-Backbone interact. energy: -2.730
local terms energy: -580.031495
where:
bonds (distance) C4'-P energy: -95.639
bonds (distance) P-C4' energy: -109.791
flat angles C4'-P-C4' energy: -124.025
flat angles P-C4'-P energy: -79.385
tors. eta vs tors. theta energy: -171.191
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: 6
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1565.772403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.772403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.772403 (E_RNA)
where:
Base-Base interactions energy: -1039.775
where: short stacking energy: -444.889
Base-Backbone interact. energy: -3.653
local terms energy: -522.343693
where:
bonds (distance) C4'-P energy: -103.395
bonds (distance) P-C4' energy: -113.891
flat angles C4'-P-C4' energy: -110.046
flat angles P-C4'-P energy: -78.882
tors. eta vs tors. theta energy: -116.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1469.416562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.416562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.416562 (E_RNA)
where:
Base-Base interactions energy: -944.279
where: short stacking energy: -438.201
Base-Backbone interact. energy: -4.936
local terms energy: -520.202362
where:
bonds (distance) C4'-P energy: -109.375
bonds (distance) P-C4' energy: -108.217
flat angles C4'-P-C4' energy: -113.227
flat angles P-C4'-P energy: -76.057
tors. eta vs tors. theta energy: -113.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1228.002919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.002919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.002919 (E_RNA)
where:
Base-Base interactions energy: -801.097
where: short stacking energy: -369.732
Base-Backbone interact. energy: -2.183
local terms energy: -424.722683
where:
bonds (distance) C4'-P energy: -92.964
bonds (distance) P-C4' energy: -84.770
flat angles C4'-P-C4' energy: -98.985
flat angles P-C4'-P energy: -55.201
tors. eta vs tors. theta energy: -92.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -888.005239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.005239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.005239 (E_RNA)
where:
Base-Base interactions energy: -486.822
where: short stacking energy: -254.244
Base-Backbone interact. energy: -0.419
local terms energy: -400.764182
where:
bonds (distance) C4'-P energy: -103.284
bonds (distance) P-C4' energy: -117.566
flat angles C4'-P-C4' energy: -88.006
flat angles P-C4'-P energy: -63.898
tors. eta vs tors. theta energy: -28.010
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: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -845.656038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.656038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.656038 (E_RNA)
where:
Base-Base interactions energy: -462.930
where: short stacking energy: -241.064
Base-Backbone interact. energy: 0.692
local terms energy: -383.417615
where:
bonds (distance) C4'-P energy: -94.496
bonds (distance) P-C4' energy: -114.207
flat angles C4'-P-C4' energy: -99.635
flat angles P-C4'-P energy: -58.920
tors. eta vs tors. theta energy: -16.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -539.944664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.944664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.944664 (E_RNA)
where:
Base-Base interactions energy: -226.907
where: short stacking energy: -147.974
Base-Backbone interact. energy: 1.667
local terms energy: -314.705009
where:
bonds (distance) C4'-P energy: -109.042
bonds (distance) P-C4' energy: -81.957
flat angles C4'-P-C4' energy: -78.865
flat angles P-C4'-P energy: -48.158
tors. eta vs tors. theta energy: 3.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -474.643717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.643717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.643717 (E_RNA)
where:
Base-Base interactions energy: -198.005
where: short stacking energy: -131.696
Base-Backbone interact. energy: -0.672
local terms energy: -275.966576
where:
bonds (distance) C4'-P energy: -78.762
bonds (distance) P-C4' energy: -87.693
flat angles C4'-P-C4' energy: -68.346
flat angles P-C4'-P energy: -46.205
tors. eta vs tors. theta energy: 5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -2004.141165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.141165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.141165 (E_RNA)
where:
Base-Base interactions energy: -1388.221
where: short stacking energy: -579.001
Base-Backbone interact. energy: 1.768
local terms energy: -617.689125
where:
bonds (distance) C4'-P energy: -107.272
bonds (distance) P-C4' energy: -118.298
flat angles C4'-P-C4' energy: -138.463
flat angles P-C4'-P energy: -80.210
tors. eta vs tors. theta energy: -173.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1888.733639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.733639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.733639 (E_RNA)
where:
Base-Base interactions energy: -1288.692
where: short stacking energy: -553.454
Base-Backbone interact. energy: -4.390
local terms energy: -595.652106
where:
bonds (distance) C4'-P energy: -120.690
bonds (distance) P-C4' energy: -114.895
flat angles C4'-P-C4' energy: -133.295
flat angles P-C4'-P energy: -85.919
tors. eta vs tors. theta energy: -140.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1829.368968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.368968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.368968 (E_RNA)
where:
Base-Base interactions energy: -1225.284
where: short stacking energy: -526.396
Base-Backbone interact. energy: -2.094
local terms energy: -601.990574
where:
bonds (distance) C4'-P energy: -107.473
bonds (distance) P-C4' energy: -111.859
flat angles C4'-P-C4' energy: -137.025
flat angles P-C4'-P energy: -88.293
tors. eta vs tors. theta energy: -157.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1578.195705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.195705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.195705 (E_RNA)
where:
Base-Base interactions energy: -1039.950
where: short stacking energy: -493.933
Base-Backbone interact. energy: -1.849
local terms energy: -536.397267
where:
bonds (distance) C4'-P energy: -98.061
bonds (distance) P-C4' energy: -107.365
flat angles C4'-P-C4' energy: -116.595
flat angles P-C4'-P energy: -76.703
tors. eta vs tors. theta energy: -137.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1421.162487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.162487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.162487 (E_RNA)
where:
Base-Base interactions energy: -896.289
where: short stacking energy: -416.733
Base-Backbone interact. energy: -2.137
local terms energy: -522.736737
where:
bonds (distance) C4'-P energy: -102.730
bonds (distance) P-C4' energy: -109.065
flat angles C4'-P-C4' energy: -107.190
flat angles P-C4'-P energy: -89.008
tors. eta vs tors. theta energy: -114.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1299.418609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.418609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.418609 (E_RNA)
where:
Base-Base interactions energy: -809.812
where: short stacking energy: -386.564
Base-Backbone interact. energy: -0.812
local terms energy: -488.794441
where:
bonds (distance) C4'-P energy: -112.600
bonds (distance) P-C4' energy: -88.890
flat angles C4'-P-C4' energy: -121.171
flat angles P-C4'-P energy: -67.563
tors. eta vs tors. theta energy: -98.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -894.140779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.140779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.140779 (E_RNA)
where:
Base-Base interactions energy: -471.626
where: short stacking energy: -277.176
Base-Backbone interact. energy: -2.765
local terms energy: -419.749509
where:
bonds (distance) C4'-P energy: -97.193
bonds (distance) P-C4' energy: -98.496
flat angles C4'-P-C4' energy: -105.067
flat angles P-C4'-P energy: -65.600
tors. eta vs tors. theta energy: -53.394
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: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -821.743983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.743983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.743983 (E_RNA)
where:
Base-Base interactions energy: -448.956
where: short stacking energy: -238.716
Base-Backbone interact. energy: 0.522
local terms energy: -373.309178
where:
bonds (distance) C4'-P energy: -90.036
bonds (distance) P-C4' energy: -102.089
flat angles C4'-P-C4' energy: -99.986
flat angles P-C4'-P energy: -48.624
tors. eta vs tors. theta energy: -32.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -556.635938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.635938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.635938 (E_RNA)
where:
Base-Base interactions energy: -224.608
where: short stacking energy: -169.049
Base-Backbone interact. energy: -0.367
local terms energy: -331.661020
where:
bonds (distance) C4'-P energy: -106.122
bonds (distance) P-C4' energy: -104.584
flat angles C4'-P-C4' energy: -82.944
flat angles P-C4'-P energy: -36.797
tors. eta vs tors. theta energy: -1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -477.815031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.815031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.815031 (E_RNA)
where:
Base-Base interactions energy: -177.896
where: short stacking energy: -135.611
Base-Backbone interact. energy: -1.522
local terms energy: -298.397737
where:
bonds (distance) C4'-P energy: -82.612
bonds (distance) P-C4' energy: -86.408
flat angles C4'-P-C4' energy: -95.380
flat angles P-C4'-P energy: -43.907
tors. eta vs tors. theta energy: 9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1992.348659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.348659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.348659 (E_RNA)
where:
Base-Base interactions energy: -1382.728
where: short stacking energy: -587.219
Base-Backbone interact. energy: -3.511
local terms energy: -606.110627
where:
bonds (distance) C4'-P energy: -108.516
bonds (distance) P-C4' energy: -110.941
flat angles C4'-P-C4' energy: -129.203
flat angles P-C4'-P energy: -90.275
tors. eta vs tors. theta energy: -167.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1925.368544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.368544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.368544 (E_RNA)
where:
Base-Base interactions energy: -1319.976
where: short stacking energy: -561.020
Base-Backbone interact. energy: 1.020
local terms energy: -606.412725
where:
bonds (distance) C4'-P energy: -121.843
bonds (distance) P-C4' energy: -106.313
flat angles C4'-P-C4' energy: -127.941
flat angles P-C4'-P energy: -84.194
tors. eta vs tors. theta energy: -166.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1839.056748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.056748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.056748 (E_RNA)
where:
Base-Base interactions energy: -1263.910
where: short stacking energy: -538.344
Base-Backbone interact. energy: -0.290
local terms energy: -574.856942
where:
bonds (distance) C4'-P energy: -92.863
bonds (distance) P-C4' energy: -109.593
flat angles C4'-P-C4' energy: -131.155
flat angles P-C4'-P energy: -88.738
tors. eta vs tors. theta energy: -152.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1606.301545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.301545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.301545 (E_RNA)
where:
Base-Base interactions energy: -1071.194
where: short stacking energy: -477.170
Base-Backbone interact. energy: -0.896
local terms energy: -534.210881
where:
bonds (distance) C4'-P energy: -115.071
bonds (distance) P-C4' energy: -109.531
flat angles C4'-P-C4' energy: -114.322
flat angles P-C4'-P energy: -57.962
tors. eta vs tors. theta energy: -137.326
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: 104
Temperature: 1.100000
Total energy: -1420.167854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.167854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.167854 (E_RNA)
where:
Base-Base interactions energy: -910.265
where: short stacking energy: -414.708
Base-Backbone interact. energy: -0.442
local terms energy: -509.461133
where:
bonds (distance) C4'-P energy: -105.101
bonds (distance) P-C4' energy: -106.245
flat angles C4'-P-C4' energy: -114.015
flat angles P-C4'-P energy: -74.206
tors. eta vs tors. theta energy: -109.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1243.648357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.648357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.648357 (E_RNA)
where:
Base-Base interactions energy: -802.565
where: short stacking energy: -350.924
Base-Backbone interact. energy: 3.671
local terms energy: -444.754727
where:
bonds (distance) C4'-P energy: -78.038
bonds (distance) P-C4' energy: -103.629
flat angles C4'-P-C4' energy: -104.401
flat angles P-C4'-P energy: -64.813
tors. eta vs tors. theta energy: -93.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -810.944681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.944681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.944681 (E_RNA)
where:
Base-Base interactions energy: -453.984
where: short stacking energy: -249.074
Base-Backbone interact. energy: -2.855
local terms energy: -354.104977
where:
bonds (distance) C4'-P energy: -81.751
bonds (distance) P-C4' energy: -91.954
flat angles C4'-P-C4' energy: -94.507
flat angles P-C4'-P energy: -68.441
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -888.820181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.820181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.820181 (E_RNA)
where:
Base-Base interactions energy: -474.312
where: short stacking energy: -259.753
Base-Backbone interact. energy: -0.923
local terms energy: -413.585914
where:
bonds (distance) C4'-P energy: -88.662
bonds (distance) P-C4' energy: -105.125
flat angles C4'-P-C4' energy: -108.933
flat angles P-C4'-P energy: -66.436
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: 9, replica: 1
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -489.837716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.837716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.837716 (E_RNA)
where:
Base-Base interactions energy: -168.486
where: short stacking energy: -141.284
Base-Backbone interact. energy: 0.863
local terms energy: -322.214829
where:
bonds (distance) C4'-P energy: -86.596
bonds (distance) P-C4' energy: -91.551
flat angles C4'-P-C4' energy: -91.938
flat angles P-C4'-P energy: -52.706
tors. eta vs tors. theta energy: 0.576
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: 10, replica: 4
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -507.308399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.308399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.308399 (E_RNA)
where:
Base-Base interactions energy: -206.279
where: short stacking energy: -148.358
Base-Backbone interact. energy: 0.460
local terms energy: -301.490129
where:
bonds (distance) C4'-P energy: -86.600
bonds (distance) P-C4' energy: -109.403
flat angles C4'-P-C4' energy: -80.135
flat angles P-C4'-P energy: -46.019
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: 7
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -2000.424824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.424824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.424824 (E_RNA)
where:
Base-Base interactions energy: -1392.332
where: short stacking energy: -596.664
Base-Backbone interact. energy: -1.477
local terms energy: -606.615536
where:
bonds (distance) C4'-P energy: -118.431
bonds (distance) P-C4' energy: -127.189
flat angles C4'-P-C4' energy: -130.822
flat angles P-C4'-P energy: -64.156
tors. eta vs tors. theta energy: -166.018
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: 2, replica: 9
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1894.587432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.587432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.587432 (E_RNA)
where:
Base-Base interactions energy: -1306.267
where: short stacking energy: -537.020
Base-Backbone interact. energy: -2.964
local terms energy: -585.356453
where:
bonds (distance) C4'-P energy: -116.651
bonds (distance) P-C4' energy: -117.819
flat angles C4'-P-C4' energy: -122.866
flat angles P-C4'-P energy: -74.462
tors. eta vs tors. theta energy: -153.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1833.910853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.910853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.910853 (E_RNA)
where:
Base-Base interactions energy: -1241.423
where: short stacking energy: -550.667
Base-Backbone interact. energy: -4.297
local terms energy: -588.190495
where:
bonds (distance) C4'-P energy: -110.995
bonds (distance) P-C4' energy: -111.034
flat angles C4'-P-C4' energy: -132.842
flat angles P-C4'-P energy: -85.158
tors. eta vs tors. theta energy: -148.162
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: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1617.420532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.420532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.420532 (E_RNA)
where:
Base-Base interactions energy: -1073.324
where: short stacking energy: -469.375
Base-Backbone interact. energy: -1.700
local terms energy: -542.397204
where:
bonds (distance) C4'-P energy: -119.156
bonds (distance) P-C4' energy: -109.957
flat angles C4'-P-C4' energy: -111.685
flat angles P-C4'-P energy: -62.183
tors. eta vs tors. theta energy: -139.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1396.993865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.993865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.993865 (E_RNA)
where:
Base-Base interactions energy: -917.086
where: short stacking energy: -417.598
Base-Backbone interact. energy: -0.066
local terms energy: -479.842578
where:
bonds (distance) C4'-P energy: -97.209
bonds (distance) P-C4' energy: -119.063
flat angles C4'-P-C4' energy: -101.630
flat angles P-C4'-P energy: -66.657
tors. eta vs tors. theta energy: -95.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1243.765394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.765394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.765394 (E_RNA)
where:
Base-Base interactions energy: -795.827
where: short stacking energy: -357.035
Base-Backbone interact. energy: 1.873
local terms energy: -449.811400
where:
bonds (distance) C4'-P energy: -99.185
bonds (distance) P-C4' energy: -101.488
flat angles C4'-P-C4' energy: -107.333
flat angles P-C4'-P energy: -54.423
tors. eta vs tors. theta energy: -87.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -837.430172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.430172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.430172 (E_RNA)
where:
Base-Base interactions energy: -484.958
where: short stacking energy: -279.807
Base-Backbone interact. energy: 1.651
local terms energy: -354.122693
where:
bonds (distance) C4'-P energy: -93.463
bonds (distance) P-C4' energy: -93.212
flat angles C4'-P-C4' energy: -87.295
flat angles P-C4'-P energy: -53.529
tors. eta vs tors. theta energy: -26.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -879.275987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.275987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.275987 (E_RNA)
where:
Base-Base interactions energy: -498.408
where: short stacking energy: -237.152
Base-Backbone interact. energy: 2.258
local terms energy: -383.125724
where:
bonds (distance) C4'-P energy: -103.588
bonds (distance) P-C4' energy: -99.384
flat angles C4'-P-C4' energy: -93.914
flat angles P-C4'-P energy: -53.655
tors. eta vs tors. theta energy: -32.585
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: 9, replica: 1
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -491.711328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.711328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.711328 (E_RNA)
where:
Base-Base interactions energy: -186.527
where: short stacking energy: -118.056
Base-Backbone interact. energy: 0.865
local terms energy: -306.049511
where:
bonds (distance) C4'-P energy: -93.078
bonds (distance) P-C4' energy: -98.964
flat angles C4'-P-C4' energy: -80.459
flat angles P-C4'-P energy: -51.376
tors. eta vs tors. theta energy: 17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -504.273424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.273424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.273424 (E_RNA)
where:
Base-Base interactions energy: -181.798
where: short stacking energy: -134.049
Base-Backbone interact. energy: -3.385
local terms energy: -319.090866
where:
bonds (distance) C4'-P energy: -92.782
bonds (distance) P-C4' energy: -95.663
flat angles C4'-P-C4' energy: -93.257
flat angles P-C4'-P energy: -56.411
tors. eta vs tors. theta energy: 19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1983.028821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.028821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.028821 (E_RNA)
where:
Base-Base interactions energy: -1390.893
where: short stacking energy: -579.083
Base-Backbone interact. energy: -1.355
local terms energy: -590.780318
where:
bonds (distance) C4'-P energy: -112.566
bonds (distance) P-C4' energy: -111.815
flat angles C4'-P-C4' energy: -120.077
flat angles P-C4'-P energy: -79.618
tors. eta vs tors. theta energy: -166.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1874.240443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.240443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.240443 (E_RNA)
where:
Base-Base interactions energy: -1267.290
where: short stacking energy: -526.645
Base-Backbone interact. energy: -0.606
local terms energy: -606.343747
where:
bonds (distance) C4'-P energy: -108.763
bonds (distance) P-C4' energy: -125.779
flat angles C4'-P-C4' energy: -130.467
flat angles P-C4'-P energy: -97.856
tors. eta vs tors. theta energy: -143.479
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: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1827.511795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.511795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.511795 (E_RNA)
where:
Base-Base interactions energy: -1272.462
where: short stacking energy: -541.778
Base-Backbone interact. energy: -3.091
local terms energy: -551.958989
where:
bonds (distance) C4'-P energy: -107.990
bonds (distance) P-C4' energy: -101.888
flat angles C4'-P-C4' energy: -120.815
flat angles P-C4'-P energy: -76.682
tors. eta vs tors. theta energy: -144.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1642.034081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.034081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.034081 (E_RNA)
where:
Base-Base interactions energy: -1069.168
where: short stacking energy: -477.204
Base-Backbone interact. energy: -3.359
local terms energy: -569.506774
where:
bonds (distance) C4'-P energy: -114.581
bonds (distance) P-C4' energy: -119.974
flat angles C4'-P-C4' energy: -114.767
flat angles P-C4'-P energy: -81.099
tors. eta vs tors. theta energy: -139.086
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: 106
Temperature: 1.100000
Total energy: -1369.986544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.986544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.986544 (E_RNA)
where:
Base-Base interactions energy: -874.086
where: short stacking energy: -401.078
Base-Backbone interact. energy: -3.660
local terms energy: -492.240556
where:
bonds (distance) C4'-P energy: -97.937
bonds (distance) P-C4' energy: -107.689
flat angles C4'-P-C4' energy: -113.024
flat angles P-C4'-P energy: -66.962
tors. eta vs tors. theta energy: -106.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1304.544902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.544902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.544902 (E_RNA)
where:
Base-Base interactions energy: -816.984
where: short stacking energy: -387.519
Base-Backbone interact. energy: -1.603
local terms energy: -485.958010
where:
bonds (distance) C4'-P energy: -85.144
bonds (distance) P-C4' energy: -98.785
flat angles C4'-P-C4' energy: -124.239
flat angles P-C4'-P energy: -72.828
tors. eta vs tors. theta energy: -104.961
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: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -922.141527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.141527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.141527 (E_RNA)
where:
Base-Base interactions energy: -542.628
where: short stacking energy: -262.679
Base-Backbone interact. energy: -0.613
local terms energy: -378.900627
where:
bonds (distance) C4'-P energy: -82.599
bonds (distance) P-C4' energy: -104.850
flat angles C4'-P-C4' energy: -102.986
flat angles P-C4'-P energy: -59.549
tors. eta vs tors. theta energy: -28.917
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: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -810.934944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.934944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.934944 (E_RNA)
where:
Base-Base interactions energy: -433.152
where: short stacking energy: -213.176
Base-Backbone interact. energy: -0.262
local terms energy: -377.520607
where:
bonds (distance) C4'-P energy: -97.112
bonds (distance) P-C4' energy: -108.468
flat angles C4'-P-C4' energy: -92.141
flat angles P-C4'-P energy: -59.113
tors. eta vs tors. theta energy: -20.686
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: 1
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -526.733110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.733110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.733110 (E_RNA)
where:
Base-Base interactions energy: -220.584
where: short stacking energy: -155.227
Base-Backbone interact. energy: 7.125
local terms energy: -313.273385
where:
bonds (distance) C4'-P energy: -98.512
bonds (distance) P-C4' energy: -95.098
flat angles C4'-P-C4' energy: -76.360
flat angles P-C4'-P energy: -49.599
tors. eta vs tors. theta energy: 6.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -471.039243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.039243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.039243 (E_RNA)
where:
Base-Base interactions energy: -175.432
where: short stacking energy: -125.078
Base-Backbone interact. energy: 0.694
local terms energy: -296.301664
where:
bonds (distance) C4'-P energy: -94.613
bonds (distance) P-C4' energy: -103.528
flat angles C4'-P-C4' energy: -74.204
flat angles P-C4'-P energy: -45.065
tors. eta vs tors. theta energy: 21.107
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: 7
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1997.081328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.081328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.081328 (E_RNA)
where:
Base-Base interactions energy: -1389.852
where: short stacking energy: -579.469
Base-Backbone interact. energy: -4.204
local terms energy: -603.025669
where:
bonds (distance) C4'-P energy: -114.467
bonds (distance) P-C4' energy: -116.228
flat angles C4'-P-C4' energy: -127.847
flat angles P-C4'-P energy: -78.331
tors. eta vs tors. theta energy: -166.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1891.539555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.539555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.539555 (E_RNA)
where:
Base-Base interactions energy: -1294.444
where: short stacking energy: -542.743
Base-Backbone interact. energy: -0.846
local terms energy: -596.249680
where:
bonds (distance) C4'-P energy: -110.905
bonds (distance) P-C4' energy: -107.753
flat angles C4'-P-C4' energy: -134.874
flat angles P-C4'-P energy: -92.483
tors. eta vs tors. theta energy: -150.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1883.857241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.857241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.857241 (E_RNA)
where:
Base-Base interactions energy: -1296.147
where: short stacking energy: -551.355
Base-Backbone interact. energy: -0.225
local terms energy: -587.485682
where:
bonds (distance) C4'-P energy: -97.137
bonds (distance) P-C4' energy: -115.642
flat angles C4'-P-C4' energy: -120.574
flat angles P-C4'-P energy: -77.509
tors. eta vs tors. theta energy: -176.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1643.952094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.952094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.952094 (E_RNA)
where:
Base-Base interactions energy: -1081.121
where: short stacking energy: -495.074
Base-Backbone interact. energy: 4.305
local terms energy: -567.135365
where:
bonds (distance) C4'-P energy: -113.129
bonds (distance) P-C4' energy: -110.485
flat angles C4'-P-C4' energy: -114.990
flat angles P-C4'-P energy: -76.094
tors. eta vs tors. theta energy: -152.438
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: 107
Temperature: 1.100000
Total energy: -1418.762324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.762324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.762324 (E_RNA)
where:
Base-Base interactions energy: -914.002
where: short stacking energy: -424.758
Base-Backbone interact. energy: -3.746
local terms energy: -501.014164
where:
bonds (distance) C4'-P energy: -92.486
bonds (distance) P-C4' energy: -111.773
flat angles C4'-P-C4' energy: -109.793
flat angles P-C4'-P energy: -67.923
tors. eta vs tors. theta energy: -119.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1301.255352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.255352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.255352 (E_RNA)
where:
Base-Base interactions energy: -828.957
where: short stacking energy: -374.241
Base-Backbone interact. energy: -2.178
local terms energy: -470.119877
where:
bonds (distance) C4'-P energy: -93.451
bonds (distance) P-C4' energy: -97.933
flat angles C4'-P-C4' energy: -108.322
flat angles P-C4'-P energy: -74.718
tors. eta vs tors. theta energy: -95.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1046.615240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.615240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.615240 (E_RNA)
where:
Base-Base interactions energy: -613.467
where: short stacking energy: -324.441
Base-Backbone interact. energy: -2.674
local terms energy: -430.474639
where:
bonds (distance) C4'-P energy: -106.649
bonds (distance) P-C4' energy: -123.282
flat angles C4'-P-C4' energy: -90.193
flat angles P-C4'-P energy: -58.772
tors. eta vs tors. theta energy: -51.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -788.222421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.222421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.222421 (E_RNA)
where:
Base-Base interactions energy: -425.350
where: short stacking energy: -220.764
Base-Backbone interact. energy: 0.704
local terms energy: -363.576193
where:
bonds (distance) C4'-P energy: -88.100
bonds (distance) P-C4' energy: -105.375
flat angles C4'-P-C4' energy: -114.851
flat angles P-C4'-P energy: -34.953
tors. eta vs tors. theta energy: -20.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -615.474851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.474851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.474851 (E_RNA)
where:
Base-Base interactions energy: -289.444
where: short stacking energy: -185.814
Base-Backbone interact. energy: 4.534
local terms energy: -330.564857
where:
bonds (distance) C4'-P energy: -100.236
bonds (distance) P-C4' energy: -89.857
flat angles C4'-P-C4' energy: -84.109
flat angles P-C4'-P energy: -49.762
tors. eta vs tors. theta energy: -6.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -507.207231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.207231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.207231 (E_RNA)
where:
Base-Base interactions energy: -177.872
where: short stacking energy: -129.747
Base-Backbone interact. energy: 1.352
local terms energy: -330.688004
where:
bonds (distance) C4'-P energy: -109.812
bonds (distance) P-C4' energy: -94.542
flat angles C4'-P-C4' energy: -73.400
flat angles P-C4'-P energy: -62.106
tors. eta vs tors. theta energy: 9.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1991.135635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.135635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.135635 (E_RNA)
where:
Base-Base interactions energy: -1383.987
where: short stacking energy: -602.433
Base-Backbone interact. energy: -2.783
local terms energy: -604.365904
where:
bonds (distance) C4'-P energy: -112.168
bonds (distance) P-C4' energy: -109.697
flat angles C4'-P-C4' energy: -134.573
flat angles P-C4'-P energy: -75.799
tors. eta vs tors. theta energy: -172.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1898.240922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.240922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.240922 (E_RNA)
where:
Base-Base interactions energy: -1315.841
where: short stacking energy: -539.942
Base-Backbone interact. energy: -2.985
local terms energy: -579.414909
where:
bonds (distance) C4'-P energy: -109.500
bonds (distance) P-C4' energy: -109.070
flat angles C4'-P-C4' energy: -122.737
flat angles P-C4'-P energy: -83.248
tors. eta vs tors. theta energy: -154.861
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: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1849.802854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.802854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.802854 (E_RNA)
where:
Base-Base interactions energy: -1258.251
where: short stacking energy: -538.664
Base-Backbone interact. energy: -3.515
local terms energy: -588.037158
where:
bonds (distance) C4'-P energy: -103.638
bonds (distance) P-C4' energy: -105.312
flat angles C4'-P-C4' energy: -123.898
flat angles P-C4'-P energy: -84.443
tors. eta vs tors. theta energy: -170.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1653.711346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.711346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.711346 (E_RNA)
where:
Base-Base interactions energy: -1119.179
where: short stacking energy: -499.595
Base-Backbone interact. energy: -2.426
local terms energy: -532.106573
where:
bonds (distance) C4'-P energy: -107.334
bonds (distance) P-C4' energy: -95.820
flat angles C4'-P-C4' energy: -116.063
flat angles P-C4'-P energy: -75.792
tors. eta vs tors. theta energy: -137.098
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: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1333.025118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.025118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.025118 (E_RNA)
where:
Base-Base interactions energy: -867.352
where: short stacking energy: -380.882
Base-Backbone interact. energy: 0.405
local terms energy: -466.078309
where:
bonds (distance) C4'-P energy: -95.318
bonds (distance) P-C4' energy: -97.426
flat angles C4'-P-C4' energy: -98.712
flat angles P-C4'-P energy: -87.924
tors. eta vs tors. theta energy: -86.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1296.844482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.844482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.844482 (E_RNA)
where:
Base-Base interactions energy: -811.139
where: short stacking energy: -394.196
Base-Backbone interact. energy: -1.877
local terms energy: -483.828161
where:
bonds (distance) C4'-P energy: -95.290
bonds (distance) P-C4' energy: -104.689
flat angles C4'-P-C4' energy: -100.523
flat angles P-C4'-P energy: -76.662
tors. eta vs tors. theta energy: -106.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -940.244991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.244991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.244991 (E_RNA)
where:
Base-Base interactions energy: -540.053
where: short stacking energy: -287.515
Base-Backbone interact. energy: -1.358
local terms energy: -398.833673
where:
bonds (distance) C4'-P energy: -97.997
bonds (distance) P-C4' energy: -107.082
flat angles C4'-P-C4' energy: -95.329
flat angles P-C4'-P energy: -59.172
tors. eta vs tors. theta energy: -39.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -821.433061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.433061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.433061 (E_RNA)
where:
Base-Base interactions energy: -442.226
where: short stacking energy: -234.624
Base-Backbone interact. energy: -2.564
local terms energy: -376.643083
where:
bonds (distance) C4'-P energy: -97.494
bonds (distance) P-C4' energy: -94.874
flat angles C4'-P-C4' energy: -93.163
flat angles P-C4'-P energy: -62.226
tors. eta vs tors. theta energy: -28.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -603.824802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.824802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.824802 (E_RNA)
where:
Base-Base interactions energy: -269.926
where: short stacking energy: -170.547
Base-Backbone interact. energy: -0.961
local terms energy: -332.938596
where:
bonds (distance) C4'-P energy: -94.178
bonds (distance) P-C4' energy: -89.161
flat angles C4'-P-C4' energy: -91.619
flat angles P-C4'-P energy: -46.411
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: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -470.394009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.394009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.394009 (E_RNA)
where:
Base-Base interactions energy: -160.533
where: short stacking energy: -107.283
Base-Backbone interact. energy: 7.132
local terms energy: -316.993349
where:
bonds (distance) C4'-P energy: -112.845
bonds (distance) P-C4' energy: -103.625
flat angles C4'-P-C4' energy: -68.292
flat angles P-C4'-P energy: -57.531
tors. eta vs tors. theta energy: 25.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -2002.311244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.311244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.311244 (E_RNA)
where:
Base-Base interactions energy: -1388.980
where: short stacking energy: -580.404
Base-Backbone interact. energy: -3.980
local terms energy: -609.351463
where:
bonds (distance) C4'-P energy: -117.747
bonds (distance) P-C4' energy: -111.420
flat angles C4'-P-C4' energy: -124.634
flat angles P-C4'-P energy: -93.781
tors. eta vs tors. theta energy: -161.770
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: 2, replica: 8
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1884.468625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.468625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.468625 (E_RNA)
where:
Base-Base interactions energy: -1295.726
where: short stacking energy: -576.628
Base-Backbone interact. energy: -1.702
local terms energy: -587.040669
where:
bonds (distance) C4'-P energy: -111.571
bonds (distance) P-C4' energy: -105.207
flat angles C4'-P-C4' energy: -132.851
flat angles P-C4'-P energy: -80.304
tors. eta vs tors. theta energy: -157.108
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: 9
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1844.269434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.269434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.269434 (E_RNA)
where:
Base-Base interactions energy: -1289.154
where: short stacking energy: -552.040
Base-Backbone interact. energy: 1.113
local terms energy: -556.228317
where:
bonds (distance) C4'-P energy: -112.517
bonds (distance) P-C4' energy: -99.532
flat angles C4'-P-C4' energy: -120.146
flat angles P-C4'-P energy: -84.701
tors. eta vs tors. theta energy: -139.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1575.042344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.042344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.042344 (E_RNA)
where:
Base-Base interactions energy: -1064.969
where: short stacking energy: -477.355
Base-Backbone interact. energy: 1.324
local terms energy: -511.397460
where:
bonds (distance) C4'-P energy: -88.157
bonds (distance) P-C4' energy: -111.901
flat angles C4'-P-C4' energy: -115.030
flat angles P-C4'-P energy: -60.062
tors. eta vs tors. theta energy: -136.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1341.870435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.870435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.870435 (E_RNA)
where:
Base-Base interactions energy: -850.669
where: short stacking energy: -401.351
Base-Backbone interact. energy: -2.333
local terms energy: -488.867955
where:
bonds (distance) C4'-P energy: -104.856
bonds (distance) P-C4' energy: -103.011
flat angles C4'-P-C4' energy: -113.694
flat angles P-C4'-P energy: -67.242
tors. eta vs tors. theta energy: -100.064
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: 3
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1279.771003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.771003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.771003 (E_RNA)
where:
Base-Base interactions energy: -808.619
where: short stacking energy: -365.729
Base-Backbone interact. energy: -1.277
local terms energy: -469.874708
where:
bonds (distance) C4'-P energy: -105.196
bonds (distance) P-C4' energy: -115.039
flat angles C4'-P-C4' energy: -109.282
flat angles P-C4'-P energy: -63.975
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: 7, replica: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -975.342156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.342156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.342156 (E_RNA)
where:
Base-Base interactions energy: -553.334
where: short stacking energy: -304.744
Base-Backbone interact. energy: 0.241
local terms energy: -422.249472
where:
bonds (distance) C4'-P energy: -81.461
bonds (distance) P-C4' energy: -116.328
flat angles C4'-P-C4' energy: -100.482
flat angles P-C4'-P energy: -66.761
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: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -907.206135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.206135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.206135 (E_RNA)
where:
Base-Base interactions energy: -526.307
where: short stacking energy: -254.997
Base-Backbone interact. energy: -4.474
local terms energy: -376.425141
where:
bonds (distance) C4'-P energy: -78.868
bonds (distance) P-C4' energy: -102.086
flat angles C4'-P-C4' energy: -84.016
flat angles P-C4'-P energy: -66.914
tors. eta vs tors. theta energy: -44.540
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: 1
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -590.277968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.277968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.277968 (E_RNA)
where:
Base-Base interactions energy: -274.837
where: short stacking energy: -163.501
Base-Backbone interact. energy: -1.182
local terms energy: -314.258292
where:
bonds (distance) C4'-P energy: -94.563
bonds (distance) P-C4' energy: -97.224
flat angles C4'-P-C4' energy: -82.113
flat angles P-C4'-P energy: -44.011
tors. eta vs tors. theta energy: 3.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -477.276062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.276062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.276062 (E_RNA)
where:
Base-Base interactions energy: -189.885
where: short stacking energy: -136.034
Base-Backbone interact. energy: 0.740
local terms energy: -288.130625
where:
bonds (distance) C4'-P energy: -84.109
bonds (distance) P-C4' energy: -89.793
flat angles C4'-P-C4' energy: -66.215
flat angles P-C4'-P energy: -60.425
tors. eta vs tors. theta energy: 12.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -2004.161834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.161834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.161834 (E_RNA)
where:
Base-Base interactions energy: -1384.997
where: short stacking energy: -573.646
Base-Backbone interact. energy: -2.284
local terms energy: -616.880815
where:
bonds (distance) C4'-P energy: -100.903
bonds (distance) P-C4' energy: -118.338
flat angles C4'-P-C4' energy: -126.965
flat angles P-C4'-P energy: -93.706
tors. eta vs tors. theta energy: -176.969
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: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1889.673069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.673069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.673069 (E_RNA)
where:
Base-Base interactions energy: -1313.023
where: short stacking energy: -569.568
Base-Backbone interact. energy: -1.172
local terms energy: -575.477904
where:
bonds (distance) C4'-P energy: -110.307
bonds (distance) P-C4' energy: -97.406
flat angles C4'-P-C4' energy: -122.175
flat angles P-C4'-P energy: -85.530
tors. eta vs tors. theta energy: -160.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1876.049349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.049349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.049349 (E_RNA)
where:
Base-Base interactions energy: -1284.084
where: short stacking energy: -542.368
Base-Backbone interact. energy: 0.243
local terms energy: -592.208613
where:
bonds (distance) C4'-P energy: -107.490
bonds (distance) P-C4' energy: -114.901
flat angles C4'-P-C4' energy: -132.983
flat angles P-C4'-P energy: -86.180
tors. eta vs tors. theta energy: -150.655
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: 6
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1565.668165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.668165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.668165 (E_RNA)
where:
Base-Base interactions energy: -1029.611
where: short stacking energy: -456.992
Base-Backbone interact. energy: 1.930
local terms energy: -537.986812
where:
bonds (distance) C4'-P energy: -99.775
bonds (distance) P-C4' energy: -106.997
flat angles C4'-P-C4' energy: -127.606
flat angles P-C4'-P energy: -78.173
tors. eta vs tors. theta energy: -125.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1388.600357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.600357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.600357 (E_RNA)
where:
Base-Base interactions energy: -899.597
where: short stacking energy: -389.931
Base-Backbone interact. energy: -1.392
local terms energy: -487.610803
where:
bonds (distance) C4'-P energy: -96.893
bonds (distance) P-C4' energy: -121.312
flat angles C4'-P-C4' energy: -99.931
flat angles P-C4'-P energy: -78.739
tors. eta vs tors. theta energy: -90.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1241.139944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.139944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.139944 (E_RNA)
where:
Base-Base interactions energy: -790.500
where: short stacking energy: -341.987
Base-Backbone interact. energy: -2.332
local terms energy: -448.308494
where:
bonds (distance) C4'-P energy: -103.810
bonds (distance) P-C4' energy: -103.583
flat angles C4'-P-C4' energy: -106.518
flat angles P-C4'-P energy: -55.042
tors. eta vs tors. theta energy: -79.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -969.212591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.212591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.212591 (E_RNA)
where:
Base-Base interactions energy: -580.181
where: short stacking energy: -278.659
Base-Backbone interact. energy: 3.874
local terms energy: -392.905764
where:
bonds (distance) C4'-P energy: -92.206
bonds (distance) P-C4' energy: -93.329
flat angles C4'-P-C4' energy: -97.490
flat angles P-C4'-P energy: -62.207
tors. eta vs tors. theta energy: -47.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -872.344563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.344563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.344563 (E_RNA)
where:
Base-Base interactions energy: -509.465
where: short stacking energy: -270.779
Base-Backbone interact. energy: 5.445
local terms energy: -368.323962
where:
bonds (distance) C4'-P energy: -94.063
bonds (distance) P-C4' energy: -96.728
flat angles C4'-P-C4' energy: -98.214
flat angles P-C4'-P energy: -46.422
tors. eta vs tors. theta energy: -32.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -624.437843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.437843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.437843 (E_RNA)
where:
Base-Base interactions energy: -286.469
where: short stacking energy: -166.699
Base-Backbone interact. energy: 0.575
local terms energy: -338.543958
where:
bonds (distance) C4'-P energy: -69.587
bonds (distance) P-C4' energy: -128.441
flat angles C4'-P-C4' energy: -89.679
flat angles P-C4'-P energy: -60.354
tors. eta vs tors. theta energy: 9.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -476.025566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.025566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.025566 (E_RNA)
where:
Base-Base interactions energy: -188.282
where: short stacking energy: -144.578
Base-Backbone interact. energy: -0.775
local terms energy: -286.969401
where:
bonds (distance) C4'-P energy: -82.819
bonds (distance) P-C4' energy: -76.306
flat angles C4'-P-C4' energy: -98.901
flat angles P-C4'-P energy: -50.351
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: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1996.878168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.878168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.878168 (E_RNA)
where:
Base-Base interactions energy: -1365.780
where: short stacking energy: -563.240
Base-Backbone interact. energy: -2.128
local terms energy: -628.970345
where:
bonds (distance) C4'-P energy: -117.652
bonds (distance) P-C4' energy: -122.997
flat angles C4'-P-C4' energy: -135.701
flat angles P-C4'-P energy: -85.600
tors. eta vs tors. theta energy: -167.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1842.563430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.563430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.563430 (E_RNA)
where:
Base-Base interactions energy: -1264.029
where: short stacking energy: -551.899
Base-Backbone interact. energy: -1.559
local terms energy: -576.975637
where:
bonds (distance) C4'-P energy: -105.780
bonds (distance) P-C4' energy: -100.828
flat angles C4'-P-C4' energy: -127.111
flat angles P-C4'-P energy: -82.085
tors. eta vs tors. theta energy: -161.172
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: 9
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1837.065154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.065154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.065154 (E_RNA)
where:
Base-Base interactions energy: -1246.584
where: short stacking energy: -532.581
Base-Backbone interact. energy: -3.250
local terms energy: -587.231450
where:
bonds (distance) C4'-P energy: -119.511
bonds (distance) P-C4' energy: -117.387
flat angles C4'-P-C4' energy: -130.686
flat angles P-C4'-P energy: -76.573
tors. eta vs tors. theta energy: -143.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1534.930421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.930421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.930421 (E_RNA)
where:
Base-Base interactions energy: -1010.002
where: short stacking energy: -448.375
Base-Backbone interact. energy: -0.854
local terms energy: -524.074061
where:
bonds (distance) C4'-P energy: -102.320
bonds (distance) P-C4' energy: -122.372
flat angles C4'-P-C4' energy: -125.980
flat angles P-C4'-P energy: -62.908
tors. eta vs tors. theta energy: -110.494
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: 111
Temperature: 1.100000
Total energy: -1370.731270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.731270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.731270 (E_RNA)
where:
Base-Base interactions energy: -874.007
where: short stacking energy: -403.667
Base-Backbone interact. energy: -1.089
local terms energy: -495.635871
where:
bonds (distance) C4'-P energy: -98.573
bonds (distance) P-C4' energy: -116.510
flat angles C4'-P-C4' energy: -118.007
flat angles P-C4'-P energy: -71.570
tors. eta vs tors. theta energy: -90.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1259.483132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.483132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.483132 (E_RNA)
where:
Base-Base interactions energy: -811.365
where: short stacking energy: -347.136
Base-Backbone interact. energy: -3.026
local terms energy: -445.092628
where:
bonds (distance) C4'-P energy: -105.429
bonds (distance) P-C4' energy: -105.707
flat angles C4'-P-C4' energy: -100.117
flat angles P-C4'-P energy: -52.445
tors. eta vs tors. theta energy: -81.395
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: 10
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -1017.458682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.458682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.458682 (E_RNA)
where:
Base-Base interactions energy: -605.059
where: short stacking energy: -289.466
Base-Backbone interact. energy: 2.537
local terms energy: -414.935798
where:
bonds (distance) C4'-P energy: -110.203
bonds (distance) P-C4' energy: -103.040
flat angles C4'-P-C4' energy: -102.976
flat angles P-C4'-P energy: -50.262
tors. eta vs tors. theta energy: -48.455
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: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -884.918124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.918124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.918124 (E_RNA)
where:
Base-Base interactions energy: -492.835
where: short stacking energy: -276.052
Base-Backbone interact. energy: -2.264
local terms energy: -389.819368
where:
bonds (distance) C4'-P energy: -102.821
bonds (distance) P-C4' energy: -86.326
flat angles C4'-P-C4' energy: -83.120
flat angles P-C4'-P energy: -69.226
tors. eta vs tors. theta energy: -48.326
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: 9, replica: 1
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -655.290833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.290833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.290833 (E_RNA)
where:
Base-Base interactions energy: -351.434
where: short stacking energy: -230.435
Base-Backbone interact. energy: -1.275
local terms energy: -302.582288
where:
bonds (distance) C4'-P energy: -81.707
bonds (distance) P-C4' energy: -82.424
flat angles C4'-P-C4' energy: -89.923
flat angles P-C4'-P energy: -29.046
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: 10, replica: 4
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -535.026284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.026284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.026284 (E_RNA)
where:
Base-Base interactions energy: -232.406
where: short stacking energy: -177.389
Base-Backbone interact. energy: 4.666
local terms energy: -307.286565
where:
bonds (distance) C4'-P energy: -87.561
bonds (distance) P-C4' energy: -95.780
flat angles C4'-P-C4' energy: -70.096
flat angles P-C4'-P energy: -65.408
tors. eta vs tors. theta energy: 11.559
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: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1989.511091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.511091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.511091 (E_RNA)
where:
Base-Base interactions energy: -1405.813
where: short stacking energy: -568.546
Base-Backbone interact. energy: -1.508
local terms energy: -582.189994
where:
bonds (distance) C4'-P energy: -119.191
bonds (distance) P-C4' energy: -104.425
flat angles C4'-P-C4' energy: -131.964
flat angles P-C4'-P energy: -71.182
tors. eta vs tors. theta energy: -155.429
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: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1875.870472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.870472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.870472 (E_RNA)
where:
Base-Base interactions energy: -1278.434
where: short stacking energy: -560.395
Base-Backbone interact. energy: -3.315
local terms energy: -594.121246
where:
bonds (distance) C4'-P energy: -101.337
bonds (distance) P-C4' energy: -117.705
flat angles C4'-P-C4' energy: -133.436
flat angles P-C4'-P energy: -75.811
tors. eta vs tors. theta energy: -165.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1865.707383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.707383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.707383 (E_RNA)
where:
Base-Base interactions energy: -1289.976
where: short stacking energy: -558.373
Base-Backbone interact. energy: 4.988
local terms energy: -580.718894
where:
bonds (distance) C4'-P energy: -95.861
bonds (distance) P-C4' energy: -105.784
flat angles C4'-P-C4' energy: -123.298
flat angles P-C4'-P energy: -92.965
tors. eta vs tors. theta energy: -162.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1546.592112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.592112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.592112 (E_RNA)
where:
Base-Base interactions energy: -1008.291
where: short stacking energy: -442.633
Base-Backbone interact. energy: -2.466
local terms energy: -535.835463
where:
bonds (distance) C4'-P energy: -116.997
bonds (distance) P-C4' energy: -103.222
flat angles C4'-P-C4' energy: -107.667
flat angles P-C4'-P energy: -88.770
tors. eta vs tors. theta energy: -119.180
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: 2
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1366.724520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.724520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.724520 (E_RNA)
where:
Base-Base interactions energy: -900.115
where: short stacking energy: -388.551
Base-Backbone interact. energy: -3.150
local terms energy: -463.459243
where:
bonds (distance) C4'-P energy: -94.976
bonds (distance) P-C4' energy: -106.328
flat angles C4'-P-C4' energy: -105.745
flat angles P-C4'-P energy: -64.005
tors. eta vs tors. theta energy: -92.405
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: 6, replica: 3
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1254.193873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.193873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.193873 (E_RNA)
where:
Base-Base interactions energy: -779.403
where: short stacking energy: -363.780
Base-Backbone interact. energy: -0.856
local terms energy: -473.934877
where:
bonds (distance) C4'-P energy: -109.161
bonds (distance) P-C4' energy: -104.485
flat angles C4'-P-C4' energy: -110.809
flat angles P-C4'-P energy: -64.744
tors. eta vs tors. theta energy: -84.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1055.610437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.610437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.610437 (E_RNA)
where:
Base-Base interactions energy: -649.153
where: short stacking energy: -306.402
Base-Backbone interact. energy: -1.775
local terms energy: -404.682913
where:
bonds (distance) C4'-P energy: -85.148
bonds (distance) P-C4' energy: -112.318
flat angles C4'-P-C4' energy: -93.262
flat angles P-C4'-P energy: -68.212
tors. eta vs tors. theta energy: -45.743
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: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -923.895998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.895998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.895998 (E_RNA)
where:
Base-Base interactions energy: -533.133
where: short stacking energy: -257.093
Base-Backbone interact. energy: 0.048
local terms energy: -390.810104
where:
bonds (distance) C4'-P energy: -82.215
bonds (distance) P-C4' energy: -96.921
flat angles C4'-P-C4' energy: -91.271
flat angles P-C4'-P energy: -69.352
tors. eta vs tors. theta energy: -51.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -657.408171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.408171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.408171 (E_RNA)
where:
Base-Base interactions energy: -315.508
where: short stacking energy: -177.674
Base-Backbone interact. energy: -2.080
local terms energy: -339.819513
where:
bonds (distance) C4'-P energy: -102.453
bonds (distance) P-C4' energy: -103.109
flat angles C4'-P-C4' energy: -90.608
flat angles P-C4'-P energy: -48.645
tors. eta vs tors. theta energy: 4.996
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: 4
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -491.899261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.899261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.899261 (E_RNA)
where:
Base-Base interactions energy: -168.672
where: short stacking energy: -118.443
Base-Backbone interact. energy: -1.627
local terms energy: -321.599914
where:
bonds (distance) C4'-P energy: -71.584
bonds (distance) P-C4' energy: -104.757
flat angles C4'-P-C4' energy: -84.230
flat angles P-C4'-P energy: -66.550
tors. eta vs tors. theta energy: 5.520
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: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -2045.366829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.366829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.366829 (E_RNA)
where:
Base-Base interactions energy: -1428.432
where: short stacking energy: -605.280
Base-Backbone interact. energy: -1.146
local terms energy: -615.788886
where:
bonds (distance) C4'-P energy: -112.282
bonds (distance) P-C4' energy: -120.277
flat angles C4'-P-C4' energy: -138.265
flat angles P-C4'-P energy: -71.383
tors. eta vs tors. theta energy: -173.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1902.052511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.052511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.052511 (E_RNA)
where:
Base-Base interactions energy: -1284.549
where: short stacking energy: -566.590
Base-Backbone interact. energy: -1.866
local terms energy: -615.637865
where:
bonds (distance) C4'-P energy: -124.746
bonds (distance) P-C4' energy: -111.037
flat angles C4'-P-C4' energy: -133.569
flat angles P-C4'-P energy: -65.395
tors. eta vs tors. theta energy: -180.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1861.869249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.869249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.869249 (E_RNA)
where:
Base-Base interactions energy: -1282.634
where: short stacking energy: -532.532
Base-Backbone interact. energy: -0.198
local terms energy: -579.037508
where:
bonds (distance) C4'-P energy: -112.263
bonds (distance) P-C4' energy: -115.823
flat angles C4'-P-C4' energy: -124.237
flat angles P-C4'-P energy: -75.904
tors. eta vs tors. theta energy: -150.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1547.796330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.796330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.796330 (E_RNA)
where:
Base-Base interactions energy: -1041.695
where: short stacking energy: -443.095
Base-Backbone interact. energy: 1.514
local terms energy: -507.615140
where:
bonds (distance) C4'-P energy: -104.871
bonds (distance) P-C4' energy: -109.289
flat angles C4'-P-C4' energy: -112.849
flat angles P-C4'-P energy: -55.003
tors. eta vs tors. theta energy: -125.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1348.743355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.743355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.743355 (E_RNA)
where:
Base-Base interactions energy: -863.686
where: short stacking energy: -379.447
Base-Backbone interact. energy: -1.311
local terms energy: -483.746084
where:
bonds (distance) C4'-P energy: -104.494
bonds (distance) P-C4' energy: -112.023
flat angles C4'-P-C4' energy: -116.081
flat angles P-C4'-P energy: -67.415
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: 6, replica: 3
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1211.294189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.294189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.294189 (E_RNA)
where:
Base-Base interactions energy: -751.554
where: short stacking energy: -328.424
Base-Backbone interact. energy: -0.989
local terms energy: -458.751260
where:
bonds (distance) C4'-P energy: -100.425
bonds (distance) P-C4' energy: -111.540
flat angles C4'-P-C4' energy: -112.815
flat angles P-C4'-P energy: -54.775
tors. eta vs tors. theta energy: -79.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1080.487704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.487704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.487704 (E_RNA)
where:
Base-Base interactions energy: -631.451
where: short stacking energy: -327.826
Base-Backbone interact. energy: -1.497
local terms energy: -447.539487
where:
bonds (distance) C4'-P energy: -111.299
bonds (distance) P-C4' energy: -107.049
flat angles C4'-P-C4' energy: -91.635
flat angles P-C4'-P energy: -66.586
tors. eta vs tors. theta energy: -70.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -894.965137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.965137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.965137 (E_RNA)
where:
Base-Base interactions energy: -529.943
where: short stacking energy: -267.749
Base-Backbone interact. energy: 4.518
local terms energy: -369.540038
where:
bonds (distance) C4'-P energy: -83.864
bonds (distance) P-C4' energy: -101.119
flat angles C4'-P-C4' energy: -97.419
flat angles P-C4'-P energy: -54.030
tors. eta vs tors. theta energy: -33.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -580.701594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.701594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.701594 (E_RNA)
where:
Base-Base interactions energy: -277.154
where: short stacking energy: -150.201
Base-Backbone interact. energy: -0.064
local terms energy: -303.483083
where:
bonds (distance) C4'-P energy: -98.891
bonds (distance) P-C4' energy: -93.134
flat angles C4'-P-C4' energy: -71.807
flat angles P-C4'-P energy: -62.418
tors. eta vs tors. theta energy: 22.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -530.224087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.224087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.224087 (E_RNA)
where:
Base-Base interactions energy: -244.954
where: short stacking energy: -150.568
Base-Backbone interact. energy: -0.123
local terms energy: -285.147630
where:
bonds (distance) C4'-P energy: -63.488
bonds (distance) P-C4' energy: -96.668
flat angles C4'-P-C4' energy: -90.186
flat angles P-C4'-P energy: -46.827
tors. eta vs tors. theta energy: 12.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -2019.941317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.941317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.941317 (E_RNA)
where:
Base-Base interactions energy: -1401.119
where: short stacking energy: -591.358
Base-Backbone interact. energy: -0.020
local terms energy: -618.802938
where:
bonds (distance) C4'-P energy: -120.735
bonds (distance) P-C4' energy: -117.444
flat angles C4'-P-C4' energy: -130.731
flat angles P-C4'-P energy: -75.737
tors. eta vs tors. theta energy: -174.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1891.998769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.998769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.998769 (E_RNA)
where:
Base-Base interactions energy: -1277.219
where: short stacking energy: -573.725
Base-Backbone interact. energy: -0.892
local terms energy: -613.888019
where:
bonds (distance) C4'-P energy: -100.463
bonds (distance) P-C4' energy: -115.143
flat angles C4'-P-C4' energy: -146.784
flat angles P-C4'-P energy: -83.458
tors. eta vs tors. theta energy: -168.040
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: 114
Temperature: 1.000000
Total energy: -1820.900326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.900326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.900326 (E_RNA)
where:
Base-Base interactions energy: -1230.663
where: short stacking energy: -545.673
Base-Backbone interact. energy: -0.983
local terms energy: -589.254385
where:
bonds (distance) C4'-P energy: -117.092
bonds (distance) P-C4' energy: -121.047
flat angles C4'-P-C4' energy: -118.382
flat angles P-C4'-P energy: -84.683
tors. eta vs tors. theta energy: -148.050
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: 4, replica: 6
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1536.912543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.912543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.912543 (E_RNA)
where:
Base-Base interactions energy: -1005.423
where: short stacking energy: -447.689
Base-Backbone interact. energy: 1.727
local terms energy: -533.217426
where:
bonds (distance) C4'-P energy: -92.988
bonds (distance) P-C4' energy: -115.483
flat angles C4'-P-C4' energy: -106.602
flat angles P-C4'-P energy: -86.914
tors. eta vs tors. theta energy: -131.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1387.103321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.103321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.103321 (E_RNA)
where:
Base-Base interactions energy: -888.256
where: short stacking energy: -401.737
Base-Backbone interact. energy: -1.346
local terms energy: -497.501795
where:
bonds (distance) C4'-P energy: -92.192
bonds (distance) P-C4' energy: -107.969
flat angles C4'-P-C4' energy: -124.115
flat angles P-C4'-P energy: -68.239
tors. eta vs tors. theta energy: -104.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1223.868647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.868647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.868647 (E_RNA)
where:
Base-Base interactions energy: -784.746
where: short stacking energy: -383.357
Base-Backbone interact. energy: -1.215
local terms energy: -437.907086
where:
bonds (distance) C4'-P energy: -96.271
bonds (distance) P-C4' energy: -86.653
flat angles C4'-P-C4' energy: -113.348
flat angles P-C4'-P energy: -63.935
tors. eta vs tors. theta energy: -77.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -961.945621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.945621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.945621 (E_RNA)
where:
Base-Base interactions energy: -550.429
where: short stacking energy: -289.948
Base-Backbone interact. energy: 5.200
local terms energy: -416.716809
where:
bonds (distance) C4'-P energy: -93.410
bonds (distance) P-C4' energy: -95.894
flat angles C4'-P-C4' energy: -112.553
flat angles P-C4'-P energy: -61.773
tors. eta vs tors. theta energy: -53.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1027.640167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.640167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.640167 (E_RNA)
where:
Base-Base interactions energy: -629.510
where: short stacking energy: -285.768
Base-Backbone interact. energy: 0.717
local terms energy: -398.846948
where:
bonds (distance) C4'-P energy: -104.242
bonds (distance) P-C4' energy: -85.580
flat angles C4'-P-C4' energy: -90.796
flat angles P-C4'-P energy: -67.066
tors. eta vs tors. theta energy: -51.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -577.470806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.470806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.470806 (E_RNA)
where:
Base-Base interactions energy: -242.387
where: short stacking energy: -140.924
Base-Backbone interact. energy: -3.917
local terms energy: -331.166607
where:
bonds (distance) C4'-P energy: -100.388
bonds (distance) P-C4' energy: -100.131
flat angles C4'-P-C4' energy: -95.169
flat angles P-C4'-P energy: -49.178
tors. eta vs tors. theta energy: 13.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -452.299913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.299913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.299913 (E_RNA)
where:
Base-Base interactions energy: -137.153
where: short stacking energy: -111.655
Base-Backbone interact. energy: -0.337
local terms energy: -314.809980
where:
bonds (distance) C4'-P energy: -108.084
bonds (distance) P-C4' energy: -96.165
flat angles C4'-P-C4' energy: -86.083
flat angles P-C4'-P energy: -43.669
tors. eta vs tors. theta energy: 19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -2042.398820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.398820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.398820 (E_RNA)
where:
Base-Base interactions energy: -1408.623
where: short stacking energy: -603.650
Base-Backbone interact. energy: -2.407
local terms energy: -631.368744
where:
bonds (distance) C4'-P energy: -116.533
bonds (distance) P-C4' energy: -115.432
flat angles C4'-P-C4' energy: -129.501
flat angles P-C4'-P energy: -99.327
tors. eta vs tors. theta energy: -170.577
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: 8
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1890.778182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.778182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.778182 (E_RNA)
where:
Base-Base interactions energy: -1281.134
where: short stacking energy: -552.175
Base-Backbone interact. energy: -1.516
local terms energy: -608.128515
where:
bonds (distance) C4'-P energy: -134.636
bonds (distance) P-C4' energy: -103.710
flat angles C4'-P-C4' energy: -129.970
flat angles P-C4'-P energy: -80.175
tors. eta vs tors. theta energy: -159.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1792.488173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.488173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.488173 (E_RNA)
where:
Base-Base interactions energy: -1254.182
where: short stacking energy: -513.960
Base-Backbone interact. energy: -0.022
local terms energy: -538.284114
where:
bonds (distance) C4'-P energy: -99.760
bonds (distance) P-C4' energy: -116.357
flat angles C4'-P-C4' energy: -107.492
flat angles P-C4'-P energy: -73.611
tors. eta vs tors. theta energy: -141.064
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: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1550.145197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.145197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.145197 (E_RNA)
where:
Base-Base interactions energy: -1029.920
where: short stacking energy: -442.201
Base-Backbone interact. energy: -2.089
local terms energy: -518.135990
where:
bonds (distance) C4'-P energy: -100.201
bonds (distance) P-C4' energy: -121.409
flat angles C4'-P-C4' energy: -122.467
flat angles P-C4'-P energy: -53.865
tors. eta vs tors. theta energy: -120.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1336.222047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.222047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.222047 (E_RNA)
where:
Base-Base interactions energy: -860.789
where: short stacking energy: -361.863
Base-Backbone interact. energy: -4.047
local terms energy: -471.385529
where:
bonds (distance) C4'-P energy: -95.382
bonds (distance) P-C4' energy: -118.415
flat angles C4'-P-C4' energy: -119.131
flat angles P-C4'-P energy: -55.747
tors. eta vs tors. theta energy: -82.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1161.610217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.610217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.610217 (E_RNA)
where:
Base-Base interactions energy: -728.350
where: short stacking energy: -333.212
Base-Backbone interact. energy: -0.553
local terms energy: -432.706394
where:
bonds (distance) C4'-P energy: -104.184
bonds (distance) P-C4' energy: -104.128
flat angles C4'-P-C4' energy: -93.211
flat angles P-C4'-P energy: -63.478
tors. eta vs tors. theta energy: -67.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1003.651822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.651822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.651822 (E_RNA)
where:
Base-Base interactions energy: -589.326
where: short stacking energy: -316.807
Base-Backbone interact. energy: 1.153
local terms energy: -415.478935
where:
bonds (distance) C4'-P energy: -84.930
bonds (distance) P-C4' energy: -109.168
flat angles C4'-P-C4' energy: -99.590
flat angles P-C4'-P energy: -61.161
tors. eta vs tors. theta energy: -60.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1041.278844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.278844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.278844 (E_RNA)
where:
Base-Base interactions energy: -608.877
where: short stacking energy: -303.689
Base-Backbone interact. energy: -1.284
local terms energy: -431.117876
where:
bonds (distance) C4'-P energy: -86.389
bonds (distance) P-C4' energy: -108.374
flat angles C4'-P-C4' energy: -103.701
flat angles P-C4'-P energy: -67.069
tors. eta vs tors. theta energy: -65.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -689.200843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.200843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.200843 (E_RNA)
where:
Base-Base interactions energy: -349.673
where: short stacking energy: -189.694
Base-Backbone interact. energy: 4.525
local terms energy: -344.053406
where:
bonds (distance) C4'-P energy: -98.399
bonds (distance) P-C4' energy: -90.721
flat angles C4'-P-C4' energy: -79.113
flat angles P-C4'-P energy: -57.451
tors. eta vs tors. theta energy: -18.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -430.406842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.406842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.406842 (E_RNA)
where:
Base-Base interactions energy: -175.764
where: short stacking energy: -155.777
Base-Backbone interact. energy: 1.524
local terms energy: -256.166879
where:
bonds (distance) C4'-P energy: -92.498
bonds (distance) P-C4' energy: -73.054
flat angles C4'-P-C4' energy: -63.259
flat angles P-C4'-P energy: -42.167
tors. eta vs tors. theta energy: 14.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -2033.588242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.588242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.588242 (E_RNA)
where:
Base-Base interactions energy: -1396.653
where: short stacking energy: -597.670
Base-Backbone interact. energy: -2.294
local terms energy: -634.642115
where:
bonds (distance) C4'-P energy: -119.597
bonds (distance) P-C4' energy: -125.643
flat angles C4'-P-C4' energy: -135.326
flat angles P-C4'-P energy: -84.164
tors. eta vs tors. theta energy: -169.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1912.401929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.401929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.401929 (E_RNA)
where:
Base-Base interactions energy: -1308.485
where: short stacking energy: -574.428
Base-Backbone interact. energy: -0.325
local terms energy: -603.592168
where:
bonds (distance) C4'-P energy: -109.521
bonds (distance) P-C4' energy: -122.184
flat angles C4'-P-C4' energy: -141.179
flat angles P-C4'-P energy: -63.684
tors. eta vs tors. theta energy: -167.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1826.310156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.310156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.310156 (E_RNA)
where:
Base-Base interactions energy: -1240.961
where: short stacking energy: -516.755
Base-Backbone interact. energy: -3.185
local terms energy: -582.164957
where:
bonds (distance) C4'-P energy: -107.375
bonds (distance) P-C4' energy: -104.702
flat angles C4'-P-C4' energy: -126.394
flat angles P-C4'-P energy: -91.374
tors. eta vs tors. theta energy: -152.320
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: 6
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1598.338785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.338785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.338785 (E_RNA)
where:
Base-Base interactions energy: -1045.441
where: short stacking energy: -470.170
Base-Backbone interact. energy: -1.457
local terms energy: -551.440379
where:
bonds (distance) C4'-P energy: -115.577
bonds (distance) P-C4' energy: -109.270
flat angles C4'-P-C4' energy: -120.705
flat angles P-C4'-P energy: -81.560
tors. eta vs tors. theta energy: -124.329
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: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1384.313328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.313328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.313328 (E_RNA)
where:
Base-Base interactions energy: -906.274
where: short stacking energy: -391.559
Base-Backbone interact. energy: -0.213
local terms energy: -477.826501
where:
bonds (distance) C4'-P energy: -110.142
bonds (distance) P-C4' energy: -108.019
flat angles C4'-P-C4' energy: -107.699
flat angles P-C4'-P energy: -66.733
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: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1219.047569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.047569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.047569 (E_RNA)
where:
Base-Base interactions energy: -778.678
where: short stacking energy: -362.608
Base-Backbone interact. energy: -2.943
local terms energy: -437.426753
where:
bonds (distance) C4'-P energy: -89.818
bonds (distance) P-C4' energy: -100.568
flat angles C4'-P-C4' energy: -117.221
flat angles P-C4'-P energy: -62.160
tors. eta vs tors. theta energy: -67.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1106.193337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.193337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.193337 (E_RNA)
where:
Base-Base interactions energy: -712.852
where: short stacking energy: -340.515
Base-Backbone interact. energy: 4.679
local terms energy: -398.020291
where:
bonds (distance) C4'-P energy: -86.289
bonds (distance) P-C4' energy: -90.762
flat angles C4'-P-C4' energy: -96.340
flat angles P-C4'-P energy: -64.164
tors. eta vs tors. theta energy: -60.465
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: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -938.481152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.481152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.481152 (E_RNA)
where:
Base-Base interactions energy: -552.796
where: short stacking energy: -255.860
Base-Backbone interact. energy: 5.216
local terms energy: -390.900958
where:
bonds (distance) C4'-P energy: -100.670
bonds (distance) P-C4' energy: -88.265
flat angles C4'-P-C4' energy: -108.565
flat angles P-C4'-P energy: -47.155
tors. eta vs tors. theta energy: -46.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -713.836704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.836704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.836704 (E_RNA)
where:
Base-Base interactions energy: -411.290
where: short stacking energy: -191.605
Base-Backbone interact. energy: -0.417
local terms energy: -302.129382
where:
bonds (distance) C4'-P energy: -99.204
bonds (distance) P-C4' energy: -104.187
flat angles C4'-P-C4' energy: -54.322
flat angles P-C4'-P energy: -51.441
tors. eta vs tors. theta energy: 7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -439.057453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.057453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.057453 (E_RNA)
where:
Base-Base interactions energy: -147.872
where: short stacking energy: -121.236
Base-Backbone interact. energy: 1.654
local terms energy: -292.839406
where:
bonds (distance) C4'-P energy: -98.593
bonds (distance) P-C4' energy: -106.839
flat angles C4'-P-C4' energy: -82.078
flat angles P-C4'-P energy: -34.648
tors. eta vs tors. theta energy: 29.319
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: 7
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -2004.891778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.891778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.891778 (E_RNA)
where:
Base-Base interactions energy: -1396.096
where: short stacking energy: -600.042
Base-Backbone interact. energy: 2.009
local terms energy: -610.804826
where:
bonds (distance) C4'-P energy: -116.631
bonds (distance) P-C4' energy: -123.429
flat angles C4'-P-C4' energy: -126.588
flat angles P-C4'-P energy: -69.010
tors. eta vs tors. theta energy: -175.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1898.375467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.375467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.375467 (E_RNA)
where:
Base-Base interactions energy: -1304.046
where: short stacking energy: -581.899
Base-Backbone interact. energy: -1.818
local terms energy: -592.512233
where:
bonds (distance) C4'-P energy: -106.817
bonds (distance) P-C4' energy: -115.872
flat angles C4'-P-C4' energy: -130.396
flat angles P-C4'-P energy: -71.819
tors. eta vs tors. theta energy: -167.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1814.712182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.712182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.712182 (E_RNA)
where:
Base-Base interactions energy: -1251.376
where: short stacking energy: -534.315
Base-Backbone interact. energy: -2.330
local terms energy: -561.006377
where:
bonds (distance) C4'-P energy: -101.947
bonds (distance) P-C4' energy: -109.782
flat angles C4'-P-C4' energy: -126.133
flat angles P-C4'-P energy: -64.562
tors. eta vs tors. theta energy: -158.582
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: 6
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1598.191345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.191345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.191345 (E_RNA)
where:
Base-Base interactions energy: -1068.254
where: short stacking energy: -463.897
Base-Backbone interact. energy: -1.492
local terms energy: -528.445418
where:
bonds (distance) C4'-P energy: -109.392
bonds (distance) P-C4' energy: -94.046
flat angles C4'-P-C4' energy: -120.487
flat angles P-C4'-P energy: -78.234
tors. eta vs tors. theta energy: -126.286
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: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1424.671153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.671153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.671153 (E_RNA)
where:
Base-Base interactions energy: -915.113
where: short stacking energy: -389.774
Base-Backbone interact. energy: 2.136
local terms energy: -511.694313
where:
bonds (distance) C4'-P energy: -124.329
bonds (distance) P-C4' energy: -124.573
flat angles C4'-P-C4' energy: -108.969
flat angles P-C4'-P energy: -63.426
tors. eta vs tors. theta energy: -90.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1239.234097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.234097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.234097 (E_RNA)
where:
Base-Base interactions energy: -788.714
where: short stacking energy: -348.232
Base-Backbone interact. energy: -2.729
local terms energy: -447.790795
where:
bonds (distance) C4'-P energy: -89.441
bonds (distance) P-C4' energy: -107.760
flat angles C4'-P-C4' energy: -97.541
flat angles P-C4'-P energy: -75.306
tors. eta vs tors. theta energy: -77.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -1050.870598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.870598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.870598 (E_RNA)
where:
Base-Base interactions energy: -612.754
where: short stacking energy: -300.924
Base-Backbone interact. energy: 4.930
local terms energy: -443.046054
where:
bonds (distance) C4'-P energy: -108.596
bonds (distance) P-C4' energy: -106.365
flat angles C4'-P-C4' energy: -93.271
flat angles P-C4'-P energy: -70.567
tors. eta vs tors. theta energy: -64.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -853.895827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.895827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.895827 (E_RNA)
where:
Base-Base interactions energy: -470.239
where: short stacking energy: -270.050
Base-Backbone interact. energy: -0.190
local terms energy: -383.467565
where:
bonds (distance) C4'-P energy: -74.189
bonds (distance) P-C4' energy: -106.624
flat angles C4'-P-C4' energy: -99.825
flat angles P-C4'-P energy: -55.789
tors. eta vs tors. theta energy: -47.040
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: 4
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -664.222178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.222178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.222178 (E_RNA)
where:
Base-Base interactions energy: -314.764
where: short stacking energy: -186.510
Base-Backbone interact. energy: -0.159
local terms energy: -349.298814
where:
bonds (distance) C4'-P energy: -118.109
bonds (distance) P-C4' energy: -101.176
flat angles C4'-P-C4' energy: -84.911
flat angles P-C4'-P energy: -51.121
tors. eta vs tors. theta energy: 6.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -509.964759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.964759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.964759 (E_RNA)
where:
Base-Base interactions energy: -219.046
where: short stacking energy: -168.188
Base-Backbone interact. energy: 1.380
local terms energy: -292.299022
where:
bonds (distance) C4'-P energy: -83.382
bonds (distance) P-C4' energy: -92.713
flat angles C4'-P-C4' energy: -75.866
flat angles P-C4'-P energy: -55.339
tors. eta vs tors. theta energy: 15.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -2046.217012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.217012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.217012 (E_RNA)
where:
Base-Base interactions energy: -1430.403
where: short stacking energy: -590.866
Base-Backbone interact. energy: 3.127
local terms energy: -618.940296
where:
bonds (distance) C4'-P energy: -114.374
bonds (distance) P-C4' energy: -110.670
flat angles C4'-P-C4' energy: -138.037
flat angles P-C4'-P energy: -84.055
tors. eta vs tors. theta energy: -171.804
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: 2, replica: 8
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1887.981005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.981005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.981005 (E_RNA)
where:
Base-Base interactions energy: -1297.554
where: short stacking energy: -539.484
Base-Backbone interact. energy: -1.410
local terms energy: -589.017254
where:
bonds (distance) C4'-P energy: -98.483
bonds (distance) P-C4' energy: -104.694
flat angles C4'-P-C4' energy: -128.155
flat angles P-C4'-P energy: -90.708
tors. eta vs tors. theta energy: -166.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1853.801214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.801214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.801214 (E_RNA)
where:
Base-Base interactions energy: -1260.511
where: short stacking energy: -553.928
Base-Backbone interact. energy: -2.844
local terms energy: -590.446497
where:
bonds (distance) C4'-P energy: -108.880
bonds (distance) P-C4' energy: -109.447
flat angles C4'-P-C4' energy: -119.173
flat angles P-C4'-P energy: -91.730
tors. eta vs tors. theta energy: -161.217
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: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1580.099472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.099472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.099472 (E_RNA)
where:
Base-Base interactions energy: -1043.365
where: short stacking energy: -438.700
Base-Backbone interact. energy: -1.702
local terms energy: -535.032594
where:
bonds (distance) C4'-P energy: -88.666
bonds (distance) P-C4' energy: -120.959
flat angles C4'-P-C4' energy: -125.358
flat angles P-C4'-P energy: -72.907
tors. eta vs tors. theta energy: -127.143
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: 118
Temperature: 1.100000
Total energy: -1378.094301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.094301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.094301 (E_RNA)
where:
Base-Base interactions energy: -914.441
where: short stacking energy: -409.462
Base-Backbone interact. energy: -0.630
local terms energy: -463.023611
where:
bonds (distance) C4'-P energy: -103.220
bonds (distance) P-C4' energy: -94.000
flat angles C4'-P-C4' energy: -113.537
flat angles P-C4'-P energy: -50.478
tors. eta vs tors. theta energy: -101.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1256.586917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.586917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.586917 (E_RNA)
where:
Base-Base interactions energy: -797.926
where: short stacking energy: -368.830
Base-Backbone interact. energy: -1.157
local terms energy: -457.504263
where:
bonds (distance) C4'-P energy: -90.400
bonds (distance) P-C4' energy: -99.441
flat angles C4'-P-C4' energy: -112.556
flat angles P-C4'-P energy: -71.981
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: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1087.238481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.238481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.238481 (E_RNA)
where:
Base-Base interactions energy: -662.278
where: short stacking energy: -314.664
Base-Backbone interact. energy: -1.441
local terms energy: -423.519206
where:
bonds (distance) C4'-P energy: -102.549
bonds (distance) P-C4' energy: -100.272
flat angles C4'-P-C4' energy: -101.727
flat angles P-C4'-P energy: -64.143
tors. eta vs tors. theta energy: -54.829
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: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -835.517303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.517303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.517303 (E_RNA)
where:
Base-Base interactions energy: -483.134
where: short stacking energy: -260.481
Base-Backbone interact. energy: 2.128
local terms energy: -354.511301
where:
bonds (distance) C4'-P energy: -80.493
bonds (distance) P-C4' energy: -98.612
flat angles C4'-P-C4' energy: -91.148
flat angles P-C4'-P energy: -48.707
tors. eta vs tors. theta energy: -35.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -661.340546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.340546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.340546 (E_RNA)
where:
Base-Base interactions energy: -329.470
where: short stacking energy: -163.564
Base-Backbone interact. energy: 2.443
local terms energy: -334.314154
where:
bonds (distance) C4'-P energy: -84.101
bonds (distance) P-C4' energy: -107.465
flat angles C4'-P-C4' energy: -82.570
flat angles P-C4'-P energy: -58.354
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: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -452.455037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.455037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.455037 (E_RNA)
where:
Base-Base interactions energy: -164.210
where: short stacking energy: -144.616
Base-Backbone interact. energy: -2.135
local terms energy: -286.110759
where:
bonds (distance) C4'-P energy: -83.976
bonds (distance) P-C4' energy: -102.470
flat angles C4'-P-C4' energy: -68.109
flat angles P-C4'-P energy: -54.878
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: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -2039.132030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.132030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.132030 (E_RNA)
where:
Base-Base interactions energy: -1431.298
where: short stacking energy: -578.988
Base-Backbone interact. energy: -2.549
local terms energy: -605.285726
where:
bonds (distance) C4'-P energy: -101.990
bonds (distance) P-C4' energy: -115.938
flat angles C4'-P-C4' energy: -132.370
flat angles P-C4'-P energy: -85.408
tors. eta vs tors. theta energy: -169.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1887.554625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.554625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.554625 (E_RNA)
where:
Base-Base interactions energy: -1246.836
where: short stacking energy: -537.328
Base-Backbone interact. energy: -1.779
local terms energy: -638.940047
where:
bonds (distance) C4'-P energy: -117.892
bonds (distance) P-C4' energy: -120.593
flat angles C4'-P-C4' energy: -141.469
flat angles P-C4'-P energy: -91.937
tors. eta vs tors. theta energy: -167.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1822.237825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.237825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.237825 (E_RNA)
where:
Base-Base interactions energy: -1249.601
where: short stacking energy: -525.153
Base-Backbone interact. energy: -0.428
local terms energy: -572.208718
where:
bonds (distance) C4'-P energy: -107.215
bonds (distance) P-C4' energy: -113.743
flat angles C4'-P-C4' energy: -120.429
flat angles P-C4'-P energy: -89.172
tors. eta vs tors. theta energy: -141.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1517.794611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.794611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.794611 (E_RNA)
where:
Base-Base interactions energy: -992.456
where: short stacking energy: -436.601
Base-Backbone interact. energy: -1.451
local terms energy: -523.888362
where:
bonds (distance) C4'-P energy: -105.954
bonds (distance) P-C4' energy: -101.238
flat angles C4'-P-C4' energy: -121.026
flat angles P-C4'-P energy: -80.345
tors. eta vs tors. theta energy: -115.325
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: 5, replica: 2
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1378.196843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.196843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.196843 (E_RNA)
where:
Base-Base interactions energy: -920.078
where: short stacking energy: -381.336
Base-Backbone interact. energy: -0.694
local terms energy: -457.424917
where:
bonds (distance) C4'-P energy: -105.998
bonds (distance) P-C4' energy: -92.653
flat angles C4'-P-C4' energy: -101.424
flat angles P-C4'-P energy: -65.387
tors. eta vs tors. theta energy: -91.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1325.410869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.410869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.410869 (E_RNA)
where:
Base-Base interactions energy: -832.675
where: short stacking energy: -388.191
Base-Backbone interact. energy: 1.804
local terms energy: -494.540477
where:
bonds (distance) C4'-P energy: -110.002
bonds (distance) P-C4' energy: -103.818
flat angles C4'-P-C4' energy: -105.083
flat angles P-C4'-P energy: -63.943
tors. eta vs tors. theta energy: -111.695
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: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1135.506620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.506620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.506620 (E_RNA)
where:
Base-Base interactions energy: -687.677
where: short stacking energy: -348.674
Base-Backbone interact. energy: 1.144
local terms energy: -448.973580
where:
bonds (distance) C4'-P energy: -88.332
bonds (distance) P-C4' energy: -103.598
flat angles C4'-P-C4' energy: -110.609
flat angles P-C4'-P energy: -70.645
tors. eta vs tors. theta energy: -75.789
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: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -843.460917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.460917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.460917 (E_RNA)
where:
Base-Base interactions energy: -472.975
where: short stacking energy: -263.122
Base-Backbone interact. energy: -4.197
local terms energy: -366.288712
where:
bonds (distance) C4'-P energy: -81.438
bonds (distance) P-C4' energy: -90.920
flat angles C4'-P-C4' energy: -79.453
flat angles P-C4'-P energy: -67.595
tors. eta vs tors. theta energy: -46.883
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: 4
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -683.659059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.659059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.659059 (E_RNA)
where:
Base-Base interactions energy: -355.572
where: short stacking energy: -198.639
Base-Backbone interact. energy: 2.270
local terms energy: -330.357022
where:
bonds (distance) C4'-P energy: -98.893
bonds (distance) P-C4' energy: -94.122
flat angles C4'-P-C4' energy: -71.891
flat angles P-C4'-P energy: -56.605
tors. eta vs tors. theta energy: -8.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -519.423047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.423047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.423047 (E_RNA)
where:
Base-Base interactions energy: -218.263
where: short stacking energy: -137.790
Base-Backbone interact. energy: 3.051
local terms energy: -304.211097
where:
bonds (distance) C4'-P energy: -96.527
bonds (distance) P-C4' energy: -95.703
flat angles C4'-P-C4' energy: -83.147
flat angles P-C4'-P energy: -47.201
tors. eta vs tors. theta energy: 18.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -2048.686593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.686593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.686593 (E_RNA)
where:
Base-Base interactions energy: -1434.795
where: short stacking energy: -598.102
Base-Backbone interact. energy: -3.565
local terms energy: -610.327205
where:
bonds (distance) C4'-P energy: -109.153
bonds (distance) P-C4' energy: -116.197
flat angles C4'-P-C4' energy: -132.540
flat angles P-C4'-P energy: -84.964
tors. eta vs tors. theta energy: -167.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1891.741765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.741765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.741765 (E_RNA)
where:
Base-Base interactions energy: -1303.849
where: short stacking energy: -565.133
Base-Backbone interact. energy: -1.924
local terms energy: -585.968686
where:
bonds (distance) C4'-P energy: -109.295
bonds (distance) P-C4' energy: -113.309
flat angles C4'-P-C4' energy: -136.470
flat angles P-C4'-P energy: -66.297
tors. eta vs tors. theta energy: -160.598
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: 9
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1811.203565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.203565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.203565 (E_RNA)
where:
Base-Base interactions energy: -1242.509
where: short stacking energy: -542.991
Base-Backbone interact. energy: -2.827
local terms energy: -565.867614
where:
bonds (distance) C4'-P energy: -104.852
bonds (distance) P-C4' energy: -107.877
flat angles C4'-P-C4' energy: -125.377
flat angles P-C4'-P energy: -73.208
tors. eta vs tors. theta energy: -154.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1544.175756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.175756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.175756 (E_RNA)
where:
Base-Base interactions energy: -1004.353
where: short stacking energy: -454.337
Base-Backbone interact. energy: 1.218
local terms energy: -541.041007
where:
bonds (distance) C4'-P energy: -95.894
bonds (distance) P-C4' energy: -102.637
flat angles C4'-P-C4' energy: -123.616
flat angles P-C4'-P energy: -88.939
tors. eta vs tors. theta energy: -129.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1381.799265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.799265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.799265 (E_RNA)
where:
Base-Base interactions energy: -890.625
where: short stacking energy: -376.458
Base-Backbone interact. energy: -0.851
local terms energy: -490.324000
where:
bonds (distance) C4'-P energy: -99.471
bonds (distance) P-C4' energy: -121.884
flat angles C4'-P-C4' energy: -106.877
flat angles P-C4'-P energy: -70.077
tors. eta vs tors. theta energy: -92.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1348.348140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.348140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.348140 (E_RNA)
where:
Base-Base interactions energy: -853.113
where: short stacking energy: -423.281
Base-Backbone interact. energy: -1.012
local terms energy: -494.223254
where:
bonds (distance) C4'-P energy: -98.993
bonds (distance) P-C4' energy: -95.932
flat angles C4'-P-C4' energy: -113.210
flat angles P-C4'-P energy: -77.656
tors. eta vs tors. theta energy: -108.432
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: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1108.202923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.202923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.202923 (E_RNA)
where:
Base-Base interactions energy: -693.205
where: short stacking energy: -333.788
Base-Backbone interact. energy: -1.803
local terms energy: -413.195340
where:
bonds (distance) C4'-P energy: -97.985
bonds (distance) P-C4' energy: -91.493
flat angles C4'-P-C4' energy: -98.070
flat angles P-C4'-P energy: -55.541
tors. eta vs tors. theta energy: -70.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -876.095884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.095884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.095884 (E_RNA)
where:
Base-Base interactions energy: -512.225
where: short stacking energy: -263.977
Base-Backbone interact. energy: 3.315
local terms energy: -367.186702
where:
bonds (distance) C4'-P energy: -101.161
bonds (distance) P-C4' energy: -101.562
flat angles C4'-P-C4' energy: -92.362
flat angles P-C4'-P energy: -46.657
tors. eta vs tors. theta energy: -25.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -701.015714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.015714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.015714 (E_RNA)
where:
Base-Base interactions energy: -348.678
where: short stacking energy: -220.123
Base-Backbone interact. energy: -2.566
local terms energy: -349.772058
where:
bonds (distance) C4'-P energy: -84.314
bonds (distance) P-C4' energy: -96.858
flat angles C4'-P-C4' energy: -96.303
flat angles P-C4'-P energy: -42.000
tors. eta vs tors. theta energy: -30.298
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: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -555.684945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.684945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.684945 (E_RNA)
where:
Base-Base interactions energy: -273.866
where: short stacking energy: -170.843
Base-Backbone interact. energy: 8.449
local terms energy: -290.268769
where:
bonds (distance) C4'-P energy: -93.196
bonds (distance) P-C4' energy: -99.407
flat angles C4'-P-C4' energy: -82.054
flat angles P-C4'-P energy: -27.228
tors. eta vs tors. theta energy: 11.617
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: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -2047.917040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.917040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.917040 (E_RNA)
where:
Base-Base interactions energy: -1423.534
where: short stacking energy: -594.743
Base-Backbone interact. energy: -1.218
local terms energy: -623.164530
where:
bonds (distance) C4'-P energy: -120.249
bonds (distance) P-C4' energy: -105.080
flat angles C4'-P-C4' energy: -125.154
flat angles P-C4'-P energy: -94.993
tors. eta vs tors. theta energy: -177.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1892.107579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.107579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.107579 (E_RNA)
where:
Base-Base interactions energy: -1309.267
where: short stacking energy: -548.846
Base-Backbone interact. energy: -1.862
local terms energy: -580.978482
where:
bonds (distance) C4'-P energy: -114.562
bonds (distance) P-C4' energy: -101.354
flat angles C4'-P-C4' energy: -132.400
flat angles P-C4'-P energy: -84.644
tors. eta vs tors. theta energy: -148.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1816.972415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.972415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.972415 (E_RNA)
where:
Base-Base interactions energy: -1237.289
where: short stacking energy: -527.940
Base-Backbone interact. energy: 1.709
local terms energy: -581.392623
where:
bonds (distance) C4'-P energy: -121.015
bonds (distance) P-C4' energy: -118.355
flat angles C4'-P-C4' energy: -128.895
flat angles P-C4'-P energy: -68.104
tors. eta vs tors. theta energy: -145.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1575.283494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.283494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.283494 (E_RNA)
where:
Base-Base interactions energy: -1049.280
where: short stacking energy: -483.703
Base-Backbone interact. energy: 0.211
local terms energy: -526.213924
where:
bonds (distance) C4'-P energy: -88.469
bonds (distance) P-C4' energy: -109.378
flat angles C4'-P-C4' energy: -121.216
flat angles P-C4'-P energy: -70.802
tors. eta vs tors. theta energy: -136.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1423.434695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.434695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.434695 (E_RNA)
where:
Base-Base interactions energy: -906.738
where: short stacking energy: -407.486
Base-Backbone interact. energy: -2.971
local terms energy: -513.725898
where:
bonds (distance) C4'-P energy: -85.015
bonds (distance) P-C4' energy: -118.371
flat angles C4'-P-C4' energy: -120.336
flat angles P-C4'-P energy: -70.383
tors. eta vs tors. theta energy: -119.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1353.499083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.499083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.499083 (E_RNA)
where:
Base-Base interactions energy: -896.173
where: short stacking energy: -414.512
Base-Backbone interact. energy: -6.427
local terms energy: -450.898495
where:
bonds (distance) C4'-P energy: -92.095
bonds (distance) P-C4' energy: -99.216
flat angles C4'-P-C4' energy: -104.369
flat angles P-C4'-P energy: -56.820
tors. eta vs tors. theta energy: -98.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1021.829845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.829845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.829845 (E_RNA)
where:
Base-Base interactions energy: -631.101
where: short stacking energy: -312.097
Base-Backbone interact. energy: -3.926
local terms energy: -386.802468
where:
bonds (distance) C4'-P energy: -92.223
bonds (distance) P-C4' energy: -90.480
flat angles C4'-P-C4' energy: -110.824
flat angles P-C4'-P energy: -35.817
tors. eta vs tors. theta energy: -57.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -830.711965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.711965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.711965 (E_RNA)
where:
Base-Base interactions energy: -456.754
where: short stacking energy: -230.130
Base-Backbone interact. energy: -0.128
local terms energy: -373.829982
where:
bonds (distance) C4'-P energy: -99.446
bonds (distance) P-C4' energy: -110.512
flat angles C4'-P-C4' energy: -82.909
flat angles P-C4'-P energy: -58.164
tors. eta vs tors. theta energy: -22.799
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: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -598.626242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.626242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.626242 (E_RNA)
where:
Base-Base interactions energy: -283.572
where: short stacking energy: -158.165
Base-Backbone interact. energy: 2.772
local terms energy: -317.826516
where:
bonds (distance) C4'-P energy: -89.223
bonds (distance) P-C4' energy: -100.147
flat angles C4'-P-C4' energy: -89.508
flat angles P-C4'-P energy: -37.041
tors. eta vs tors. theta energy: -1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -572.554856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.554856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.554856 (E_RNA)
where:
Base-Base interactions energy: -230.412
where: short stacking energy: -136.141
Base-Backbone interact. energy: -1.758
local terms energy: -340.384218
where:
bonds (distance) C4'-P energy: -104.320
bonds (distance) P-C4' energy: -98.157
flat angles C4'-P-C4' energy: -98.189
flat angles P-C4'-P energy: -47.838
tors. eta vs tors. theta energy: 8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -2026.120892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.120892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.120892 (E_RNA)
where:
Base-Base interactions energy: -1417.986
where: short stacking energy: -582.549
Base-Backbone interact. energy: -1.319
local terms energy: -606.815858
where:
bonds (distance) C4'-P energy: -113.412
bonds (distance) P-C4' energy: -114.130
flat angles C4'-P-C4' energy: -128.294
flat angles P-C4'-P energy: -80.453
tors. eta vs tors. theta energy: -170.526
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: 8
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1878.827042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.827042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.827042 (E_RNA)
where:
Base-Base interactions energy: -1318.995
where: short stacking energy: -539.991
Base-Backbone interact. energy: -2.208
local terms energy: -557.624340
where:
bonds (distance) C4'-P energy: -103.323
bonds (distance) P-C4' energy: -109.911
flat angles C4'-P-C4' energy: -121.340
flat angles P-C4'-P energy: -72.385
tors. eta vs tors. theta energy: -150.665
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: 9
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1817.949018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.949018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.949018 (E_RNA)
where:
Base-Base interactions energy: -1227.226
where: short stacking energy: -530.765
Base-Backbone interact. energy: -1.218
local terms energy: -589.505015
where:
bonds (distance) C4'-P energy: -119.763
bonds (distance) P-C4' energy: -107.090
flat angles C4'-P-C4' energy: -132.608
flat angles P-C4'-P energy: -79.591
tors. eta vs tors. theta energy: -150.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1554.889373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.889373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.889373 (E_RNA)
where:
Base-Base interactions energy: -1030.349
where: short stacking energy: -456.618
Base-Backbone interact. energy: -1.510
local terms energy: -523.030374
where:
bonds (distance) C4'-P energy: -111.194
bonds (distance) P-C4' energy: -103.340
flat angles C4'-P-C4' energy: -108.573
flat angles P-C4'-P energy: -71.787
tors. eta vs tors. theta energy: -128.136
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: 2
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1426.355647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.355647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.355647 (E_RNA)
where:
Base-Base interactions energy: -945.346
where: short stacking energy: -408.634
Base-Backbone interact. energy: -1.805
local terms energy: -479.204803
where:
bonds (distance) C4'-P energy: -100.720
bonds (distance) P-C4' energy: -92.330
flat angles C4'-P-C4' energy: -118.139
flat angles P-C4'-P energy: -68.750
tors. eta vs tors. theta energy: -99.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1327.669771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.669771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.669771 (E_RNA)
where:
Base-Base interactions energy: -851.248
where: short stacking energy: -379.107
Base-Backbone interact. energy: 0.097
local terms energy: -476.519001
where:
bonds (distance) C4'-P energy: -124.176
bonds (distance) P-C4' energy: -90.311
flat angles C4'-P-C4' energy: -105.562
flat angles P-C4'-P energy: -52.342
tors. eta vs tors. theta energy: -104.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1065.777221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.777221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.777221 (E_RNA)
where:
Base-Base interactions energy: -625.699
where: short stacking energy: -314.777
Base-Backbone interact. energy: -3.720
local terms energy: -436.358542
where:
bonds (distance) C4'-P energy: -101.398
bonds (distance) P-C4' energy: -100.572
flat angles C4'-P-C4' energy: -91.613
flat angles P-C4'-P energy: -77.486
tors. eta vs tors. theta energy: -65.290
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: 122
Temperature: 1.250000
Total energy: -848.731905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.731905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.731905 (E_RNA)
where:
Base-Base interactions energy: -460.516
where: short stacking energy: -225.512
Base-Backbone interact. energy: -2.585
local terms energy: -385.631721
where:
bonds (distance) C4'-P energy: -87.968
bonds (distance) P-C4' energy: -114.441
flat angles C4'-P-C4' energy: -98.045
flat angles P-C4'-P energy: -62.143
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -573.599533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.599533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.599533 (E_RNA)
where:
Base-Base interactions energy: -237.584
where: short stacking energy: -155.112
Base-Backbone interact. energy: -1.534
local terms energy: -334.481252
where:
bonds (distance) C4'-P energy: -97.934
bonds (distance) P-C4' energy: -88.630
flat angles C4'-P-C4' energy: -103.389
flat angles P-C4'-P energy: -47.038
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: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -566.223694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.223694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.223694 (E_RNA)
where:
Base-Base interactions energy: -273.134
where: short stacking energy: -148.730
Base-Backbone interact. energy: 1.111
local terms energy: -294.200969
where:
bonds (distance) C4'-P energy: -89.557
bonds (distance) P-C4' energy: -107.952
flat angles C4'-P-C4' energy: -93.202
flat angles P-C4'-P energy: -30.336
tors. eta vs tors. theta energy: 26.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -2018.535718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.535718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.535718 (E_RNA)
where:
Base-Base interactions energy: -1405.754
where: short stacking energy: -587.861
Base-Backbone interact. energy: -6.012
local terms energy: -606.769704
where:
bonds (distance) C4'-P energy: -114.110
bonds (distance) P-C4' energy: -111.775
flat angles C4'-P-C4' energy: -127.556
flat angles P-C4'-P energy: -87.088
tors. eta vs tors. theta energy: -166.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1904.498443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.498443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.498443 (E_RNA)
where:
Base-Base interactions energy: -1268.886
where: short stacking energy: -548.583
Base-Backbone interact. energy: -1.923
local terms energy: -633.690181
where:
bonds (distance) C4'-P energy: -114.532
bonds (distance) P-C4' energy: -124.111
flat angles C4'-P-C4' energy: -135.533
flat angles P-C4'-P energy: -90.982
tors. eta vs tors. theta energy: -168.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1788.136225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.136225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.136225 (E_RNA)
where:
Base-Base interactions energy: -1242.154
where: short stacking energy: -500.493
Base-Backbone interact. energy: -3.948
local terms energy: -542.034316
where:
bonds (distance) C4'-P energy: -103.589
bonds (distance) P-C4' energy: -120.686
flat angles C4'-P-C4' energy: -114.588
flat angles P-C4'-P energy: -65.475
tors. eta vs tors. theta energy: -137.697
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: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1523.269217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.269217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.269217 (E_RNA)
where:
Base-Base interactions energy: -999.257
where: short stacking energy: -434.523
Base-Backbone interact. energy: 0.645
local terms energy: -524.657207
where:
bonds (distance) C4'-P energy: -111.383
bonds (distance) P-C4' energy: -109.205
flat angles C4'-P-C4' energy: -99.440
flat angles P-C4'-P energy: -70.147
tors. eta vs tors. theta energy: -134.482
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: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1404.520850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.520850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.520850 (E_RNA)
where:
Base-Base interactions energy: -934.129
where: short stacking energy: -408.159
Base-Backbone interact. energy: 3.447
local terms energy: -473.839114
where:
bonds (distance) C4'-P energy: -95.493
bonds (distance) P-C4' energy: -98.047
flat angles C4'-P-C4' energy: -99.937
flat angles P-C4'-P energy: -69.397
tors. eta vs tors. theta energy: -110.964
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: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1236.136484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.136484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.136484 (E_RNA)
where:
Base-Base interactions energy: -764.369
where: short stacking energy: -370.357
Base-Backbone interact. energy: -1.397
local terms energy: -470.370888
where:
bonds (distance) C4'-P energy: -100.824
bonds (distance) P-C4' energy: -96.968
flat angles C4'-P-C4' energy: -110.419
flat angles P-C4'-P energy: -72.183
tors. eta vs tors. theta energy: -89.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1178.778961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.778961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.778961 (E_RNA)
where:
Base-Base interactions energy: -741.659
where: short stacking energy: -331.337
Base-Backbone interact. energy: 0.294
local terms energy: -437.414037
where:
bonds (distance) C4'-P energy: -107.235
bonds (distance) P-C4' energy: -104.866
flat angles C4'-P-C4' energy: -96.908
flat angles P-C4'-P energy: -58.641
tors. eta vs tors. theta energy: -69.764
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: 123
Temperature: 1.250000
Total energy: -784.877225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.877225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.877225 (E_RNA)
where:
Base-Base interactions energy: -397.587
where: short stacking energy: -225.440
Base-Backbone interact. energy: -1.785
local terms energy: -385.505519
where:
bonds (distance) C4'-P energy: -108.282
bonds (distance) P-C4' energy: -74.426
flat angles C4'-P-C4' energy: -108.184
flat angles P-C4'-P energy: -58.441
tors. eta vs tors. theta energy: -36.172
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: 123
Temperature: 1.300000
Total energy: -544.262819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.262819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.262819 (E_RNA)
where:
Base-Base interactions energy: -229.484
where: short stacking energy: -164.175
Base-Backbone interact. energy: -0.978
local terms energy: -313.800443
where:
bonds (distance) C4'-P energy: -90.742
bonds (distance) P-C4' energy: -92.833
flat angles C4'-P-C4' energy: -76.517
flat angles P-C4'-P energy: -42.943
tors. eta vs tors. theta energy: -10.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -616.514756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.514756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.514756 (E_RNA)
where:
Base-Base interactions energy: -290.306
where: short stacking energy: -167.930
Base-Backbone interact. energy: -2.179
local terms energy: -324.029890
where:
bonds (distance) C4'-P energy: -87.375
bonds (distance) P-C4' energy: -81.312
flat angles C4'-P-C4' energy: -96.765
flat angles P-C4'-P energy: -66.683
tors. eta vs tors. theta energy: 8.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -2025.386054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.386054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.386054 (E_RNA)
where:
Base-Base interactions energy: -1414.206
where: short stacking energy: -599.612
Base-Backbone interact. energy: -1.723
local terms energy: -609.457497
where:
bonds (distance) C4'-P energy: -111.636
bonds (distance) P-C4' energy: -112.825
flat angles C4'-P-C4' energy: -130.635
flat angles P-C4'-P energy: -83.578
tors. eta vs tors. theta energy: -170.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1885.578955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.578955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.578955 (E_RNA)
where:
Base-Base interactions energy: -1275.109
where: short stacking energy: -542.999
Base-Backbone interact. energy: -1.281
local terms energy: -609.188320
where:
bonds (distance) C4'-P energy: -105.248
bonds (distance) P-C4' energy: -127.275
flat angles C4'-P-C4' energy: -134.950
flat angles P-C4'-P energy: -75.626
tors. eta vs tors. theta energy: -166.090
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: 3, replica: 9
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1828.447729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.447729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.447729 (E_RNA)
where:
Base-Base interactions energy: -1265.400
where: short stacking energy: -513.177
Base-Backbone interact. energy: -2.557
local terms energy: -560.489843
where:
bonds (distance) C4'-P energy: -101.440
bonds (distance) P-C4' energy: -104.898
flat angles C4'-P-C4' energy: -128.574
flat angles P-C4'-P energy: -86.591
tors. eta vs tors. theta energy: -138.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1494.226750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.226750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.226750 (E_RNA)
where:
Base-Base interactions energy: -990.390
where: short stacking energy: -441.178
Base-Backbone interact. energy: -0.421
local terms energy: -503.416052
where:
bonds (distance) C4'-P energy: -103.209
bonds (distance) P-C4' energy: -105.551
flat angles C4'-P-C4' energy: -115.435
flat angles P-C4'-P energy: -72.637
tors. eta vs tors. theta energy: -106.583
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: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1430.393931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.393931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.393931 (E_RNA)
where:
Base-Base interactions energy: -930.769
where: short stacking energy: -403.927
Base-Backbone interact. energy: -4.340
local terms energy: -495.284649
where:
bonds (distance) C4'-P energy: -110.441
bonds (distance) P-C4' energy: -105.330
flat angles C4'-P-C4' energy: -112.556
flat angles P-C4'-P energy: -67.556
tors. eta vs tors. theta energy: -99.401
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: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1280.278991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.278991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.278991 (E_RNA)
where:
Base-Base interactions energy: -785.419
where: short stacking energy: -354.484
Base-Backbone interact. energy: -0.777
local terms energy: -494.083039
where:
bonds (distance) C4'-P energy: -111.884
bonds (distance) P-C4' energy: -119.157
flat angles C4'-P-C4' energy: -109.296
flat angles P-C4'-P energy: -60.535
tors. eta vs tors. theta energy: -93.211
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: 10
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1200.784580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.784580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.784580 (E_RNA)
where:
Base-Base interactions energy: -751.500
where: short stacking energy: -359.659
Base-Backbone interact. energy: -1.924
local terms energy: -447.359936
where:
bonds (distance) C4'-P energy: -95.843
bonds (distance) P-C4' energy: -99.852
flat angles C4'-P-C4' energy: -110.304
flat angles P-C4'-P energy: -62.146
tors. eta vs tors. theta energy: -79.216
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: 8, replica: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -757.408721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.408721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.408721 (E_RNA)
where:
Base-Base interactions energy: -399.046
where: short stacking energy: -216.677
Base-Backbone interact. energy: 1.774
local terms energy: -360.137077
where:
bonds (distance) C4'-P energy: -108.275
bonds (distance) P-C4' energy: -102.293
flat angles C4'-P-C4' energy: -88.532
flat angles P-C4'-P energy: -44.593
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: 1
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -583.598729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.598729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.598729 (E_RNA)
where:
Base-Base interactions energy: -267.955
where: short stacking energy: -177.906
Base-Backbone interact. energy: -2.410
local terms energy: -313.234202
where:
bonds (distance) C4'-P energy: -95.980
bonds (distance) P-C4' energy: -95.363
flat angles C4'-P-C4' energy: -101.446
flat angles P-C4'-P energy: -31.861
tors. eta vs tors. theta energy: 11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -495.523313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.523313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.523313 (E_RNA)
where:
Base-Base interactions energy: -217.711
where: short stacking energy: -122.596
Base-Backbone interact. energy: 10.538
local terms energy: -288.350140
where:
bonds (distance) C4'-P energy: -86.496
bonds (distance) P-C4' energy: -99.433
flat angles C4'-P-C4' energy: -89.674
flat angles P-C4'-P energy: -43.664
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: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -2023.539837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.539837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.539837 (E_RNA)
where:
Base-Base interactions energy: -1402.478
where: short stacking energy: -570.900
Base-Backbone interact. energy: -2.389
local terms energy: -618.672752
where:
bonds (distance) C4'-P energy: -112.385
bonds (distance) P-C4' energy: -120.172
flat angles C4'-P-C4' energy: -131.217
flat angles P-C4'-P energy: -85.481
tors. eta vs tors. theta energy: -169.418
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: 8
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1910.963361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.963361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.963361 (E_RNA)
where:
Base-Base interactions energy: -1298.374
where: short stacking energy: -537.835
Base-Backbone interact. energy: -0.269
local terms energy: -612.319938
where:
bonds (distance) C4'-P energy: -116.521
bonds (distance) P-C4' energy: -121.135
flat angles C4'-P-C4' energy: -132.117
flat angles P-C4'-P energy: -83.386
tors. eta vs tors. theta energy: -159.161
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: 3, replica: 9
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1839.778807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.778807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.778807 (E_RNA)
where:
Base-Base interactions energy: -1287.881
where: short stacking energy: -537.805
Base-Backbone interact. energy: -1.612
local terms energy: -550.285205
where:
bonds (distance) C4'-P energy: -99.623
bonds (distance) P-C4' energy: -113.858
flat angles C4'-P-C4' energy: -125.100
flat angles P-C4'-P energy: -71.434
tors. eta vs tors. theta energy: -140.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1531.831284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.831284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.831284 (E_RNA)
where:
Base-Base interactions energy: -988.633
where: short stacking energy: -460.446
Base-Backbone interact. energy: -3.183
local terms energy: -540.014865
where:
bonds (distance) C4'-P energy: -102.613
bonds (distance) P-C4' energy: -100.230
flat angles C4'-P-C4' energy: -126.282
flat angles P-C4'-P energy: -76.668
tors. eta vs tors. theta energy: -134.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1401.695620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.695620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.695620 (E_RNA)
where:
Base-Base interactions energy: -904.132
where: short stacking energy: -372.230
Base-Backbone interact. energy: -1.986
local terms energy: -495.577525
where:
bonds (distance) C4'-P energy: -101.327
bonds (distance) P-C4' energy: -117.046
flat angles C4'-P-C4' energy: -113.805
flat angles P-C4'-P energy: -79.676
tors. eta vs tors. theta energy: -83.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1244.426590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.426590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.426590 (E_RNA)
where:
Base-Base interactions energy: -769.889
where: short stacking energy: -339.636
Base-Backbone interact. energy: -2.666
local terms energy: -471.871052
where:
bonds (distance) C4'-P energy: -101.285
bonds (distance) P-C4' energy: -98.025
flat angles C4'-P-C4' energy: -113.000
flat angles P-C4'-P energy: -78.447
tors. eta vs tors. theta energy: -81.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1199.253801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1199.253801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1199.253801 (E_RNA)
where:
Base-Base interactions energy: -760.582
where: short stacking energy: -339.761
Base-Backbone interact. energy: -2.457
local terms energy: -436.214361
where:
bonds (distance) C4'-P energy: -95.996
bonds (distance) P-C4' energy: -110.173
flat angles C4'-P-C4' energy: -99.110
flat angles P-C4'-P energy: -63.310
tors. eta vs tors. theta energy: -67.626
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: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -750.979720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.979720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.979720 (E_RNA)
where:
Base-Base interactions energy: -370.786
where: short stacking energy: -212.939
Base-Backbone interact. energy: 4.615
local terms energy: -384.808679
where:
bonds (distance) C4'-P energy: -91.564
bonds (distance) P-C4' energy: -104.860
flat angles C4'-P-C4' energy: -101.500
flat angles P-C4'-P energy: -63.710
tors. eta vs tors. theta energy: -23.174
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: 1
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -606.434073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.434073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.434073 (E_RNA)
where:
Base-Base interactions energy: -294.004
where: short stacking energy: -152.919
Base-Backbone interact. energy: -2.278
local terms energy: -310.152214
where:
bonds (distance) C4'-P energy: -89.120
bonds (distance) P-C4' energy: -92.553
flat angles C4'-P-C4' energy: -95.918
flat angles P-C4'-P energy: -53.083
tors. eta vs tors. theta energy: 20.522
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: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -444.941036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.941036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.941036 (E_RNA)
where:
Base-Base interactions energy: -146.270
where: short stacking energy: -131.633
Base-Backbone interact. energy: -2.420
local terms energy: -296.251139
where:
bonds (distance) C4'-P energy: -99.598
bonds (distance) P-C4' energy: -89.719
flat angles C4'-P-C4' energy: -89.087
flat angles P-C4'-P energy: -47.096
tors. eta vs tors. theta energy: 29.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -2009.658307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.658307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.658307 (E_RNA)
where:
Base-Base interactions energy: -1386.174
where: short stacking energy: -580.449
Base-Backbone interact. energy: -1.468
local terms energy: -622.016261
where:
bonds (distance) C4'-P energy: -111.933
bonds (distance) P-C4' energy: -123.289
flat angles C4'-P-C4' energy: -138.062
flat angles P-C4'-P energy: -85.639
tors. eta vs tors. theta energy: -163.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1887.071425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.071425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.071425 (E_RNA)
where:
Base-Base interactions energy: -1283.158
where: short stacking energy: -569.082
Base-Backbone interact. energy: -2.071
local terms energy: -601.841997
where:
bonds (distance) C4'-P energy: -116.574
bonds (distance) P-C4' energy: -120.023
flat angles C4'-P-C4' energy: -131.023
flat angles P-C4'-P energy: -78.336
tors. eta vs tors. theta energy: -155.886
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: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1876.885190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.885190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.885190 (E_RNA)
where:
Base-Base interactions energy: -1287.728
where: short stacking energy: -529.997
Base-Backbone interact. energy: -2.722
local terms energy: -586.435088
where:
bonds (distance) C4'-P energy: -121.229
bonds (distance) P-C4' energy: -96.763
flat angles C4'-P-C4' energy: -132.556
flat angles P-C4'-P energy: -86.558
tors. eta vs tors. theta energy: -149.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1473.474217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.474217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.474217 (E_RNA)
where:
Base-Base interactions energy: -938.784
where: short stacking energy: -421.842
Base-Backbone interact. energy: -0.923
local terms energy: -533.767110
where:
bonds (distance) C4'-P energy: -109.906
bonds (distance) P-C4' energy: -120.324
flat angles C4'-P-C4' energy: -123.738
flat angles P-C4'-P energy: -63.786
tors. eta vs tors. theta energy: -116.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1392.061046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.061046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.061046 (E_RNA)
where:
Base-Base interactions energy: -898.549
where: short stacking energy: -381.301
Base-Backbone interact. energy: 1.404
local terms energy: -494.916439
where:
bonds (distance) C4'-P energy: -97.066
bonds (distance) P-C4' energy: -110.701
flat angles C4'-P-C4' energy: -114.358
flat angles P-C4'-P energy: -72.278
tors. eta vs tors. theta energy: -100.514
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: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1314.405604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.405604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.405604 (E_RNA)
where:
Base-Base interactions energy: -830.586
where: short stacking energy: -343.750
Base-Backbone interact. energy: -2.559
local terms energy: -481.261201
where:
bonds (distance) C4'-P energy: -108.557
bonds (distance) P-C4' energy: -107.936
flat angles C4'-P-C4' energy: -108.512
flat angles P-C4'-P energy: -65.170
tors. eta vs tors. theta energy: -91.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1239.534740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.534740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.534740 (E_RNA)
where:
Base-Base interactions energy: -786.829
where: short stacking energy: -370.055
Base-Backbone interact. energy: 2.539
local terms energy: -455.244080
where:
bonds (distance) C4'-P energy: -92.360
bonds (distance) P-C4' energy: -105.854
flat angles C4'-P-C4' energy: -100.389
flat angles P-C4'-P energy: -70.611
tors. eta vs tors. theta energy: -86.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -765.264969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.264969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.264969 (E_RNA)
where:
Base-Base interactions energy: -404.490
where: short stacking energy: -236.185
Base-Backbone interact. energy: 2.036
local terms energy: -362.810177
where:
bonds (distance) C4'-P energy: -97.871
bonds (distance) P-C4' energy: -104.400
flat angles C4'-P-C4' energy: -92.441
flat angles P-C4'-P energy: -45.295
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -665.793354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.793354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.793354 (E_RNA)
where:
Base-Base interactions energy: -314.338
where: short stacking energy: -165.546
Base-Backbone interact. energy: -2.391
local terms energy: -349.063508
where:
bonds (distance) C4'-P energy: -102.778
bonds (distance) P-C4' energy: -107.865
flat angles C4'-P-C4' energy: -82.834
flat angles P-C4'-P energy: -44.714
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -448.814490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.814490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.814490 (E_RNA)
where:
Base-Base interactions energy: -152.980
where: short stacking energy: -123.526
Base-Backbone interact. energy: 5.095
local terms energy: -300.929112
where:
bonds (distance) C4'-P energy: -75.125
bonds (distance) P-C4' energy: -120.303
flat angles C4'-P-C4' energy: -75.359
flat angles P-C4'-P energy: -50.826
tors. eta vs tors. theta energy: 20.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -2009.782967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.782967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.782967 (E_RNA)
where:
Base-Base interactions energy: -1386.320
where: short stacking energy: -572.342
Base-Backbone interact. energy: -2.684
local terms energy: -620.779259
where:
bonds (distance) C4'-P energy: -111.256
bonds (distance) P-C4' energy: -119.729
flat angles C4'-P-C4' energy: -132.207
flat angles P-C4'-P energy: -91.241
tors. eta vs tors. theta energy: -166.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1877.916464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.916464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.916464 (E_RNA)
where:
Base-Base interactions energy: -1264.616
where: short stacking energy: -556.702
Base-Backbone interact. energy: 0.263
local terms energy: -613.563331
where:
bonds (distance) C4'-P energy: -107.158
bonds (distance) P-C4' energy: -114.675
flat angles C4'-P-C4' energy: -128.839
flat angles P-C4'-P energy: -94.300
tors. eta vs tors. theta energy: -168.592
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: 127
Temperature: 1.000000
Total energy: -1851.063860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.063860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.063860 (E_RNA)
where:
Base-Base interactions energy: -1270.896
where: short stacking energy: -546.883
Base-Backbone interact. energy: -3.317
local terms energy: -576.851467
where:
bonds (distance) C4'-P energy: -110.887
bonds (distance) P-C4' energy: -102.006
flat angles C4'-P-C4' energy: -130.365
flat angles P-C4'-P energy: -81.290
tors. eta vs tors. theta energy: -152.304
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: 6
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1471.349156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.349156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.349156 (E_RNA)
where:
Base-Base interactions energy: -967.763
where: short stacking energy: -432.914
Base-Backbone interact. energy: 5.037
local terms energy: -508.622800
where:
bonds (distance) C4'-P energy: -107.402
bonds (distance) P-C4' energy: -122.221
flat angles C4'-P-C4' energy: -100.078
flat angles P-C4'-P energy: -68.656
tors. eta vs tors. theta energy: -110.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1416.134490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.134490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.134490 (E_RNA)
where:
Base-Base interactions energy: -936.384
where: short stacking energy: -424.571
Base-Backbone interact. energy: -3.335
local terms energy: -476.415251
where:
bonds (distance) C4'-P energy: -102.902
bonds (distance) P-C4' energy: -97.549
flat angles C4'-P-C4' energy: -106.060
flat angles P-C4'-P energy: -64.346
tors. eta vs tors. theta energy: -105.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1315.141891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.141891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.141891 (E_RNA)
where:
Base-Base interactions energy: -837.796
where: short stacking energy: -374.066
Base-Backbone interact. energy: 1.461
local terms energy: -478.806925
where:
bonds (distance) C4'-P energy: -108.419
bonds (distance) P-C4' energy: -113.989
flat angles C4'-P-C4' energy: -99.727
flat angles P-C4'-P energy: -63.193
tors. eta vs tors. theta energy: -93.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1245.257887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1245.257887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1245.257887 (E_RNA)
where:
Base-Base interactions energy: -803.080
where: short stacking energy: -329.140
Base-Backbone interact. energy: 0.521
local terms energy: -442.698202
where:
bonds (distance) C4'-P energy: -93.811
bonds (distance) P-C4' energy: -99.820
flat angles C4'-P-C4' energy: -104.756
flat angles P-C4'-P energy: -69.570
tors. eta vs tors. theta energy: -74.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -834.831978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.831978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.831978 (E_RNA)
where:
Base-Base interactions energy: -474.840
where: short stacking energy: -208.826
Base-Backbone interact. energy: -4.214
local terms energy: -355.778275
where:
bonds (distance) C4'-P energy: -103.999
bonds (distance) P-C4' energy: -98.661
flat angles C4'-P-C4' energy: -84.424
flat angles P-C4'-P energy: -55.386
tors. eta vs tors. theta energy: -13.309
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: 1
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -653.076323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.076323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.076323 (E_RNA)
where:
Base-Base interactions energy: -311.416
where: short stacking energy: -171.363
Base-Backbone interact. energy: 3.165
local terms energy: -344.824963
where:
bonds (distance) C4'-P energy: -89.304
bonds (distance) P-C4' energy: -109.576
flat angles C4'-P-C4' energy: -95.513
flat angles P-C4'-P energy: -36.458
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -440.423613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.423613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.423613 (E_RNA)
where:
Base-Base interactions energy: -146.811
where: short stacking energy: -101.183
Base-Backbone interact. energy: -2.569
local terms energy: -291.043733
where:
bonds (distance) C4'-P energy: -95.720
bonds (distance) P-C4' energy: -116.016
flat angles C4'-P-C4' energy: -65.614
flat angles P-C4'-P energy: -32.970
tors. eta vs tors. theta energy: 19.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -2040.191093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.191093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.191093 (E_RNA)
where:
Base-Base interactions energy: -1435.345
where: short stacking energy: -599.301
Base-Backbone interact. energy: -2.387
local terms energy: -602.459085
where:
bonds (distance) C4'-P energy: -106.845
bonds (distance) P-C4' energy: -109.489
flat angles C4'-P-C4' energy: -124.899
flat angles P-C4'-P energy: -91.103
tors. eta vs tors. theta energy: -170.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1910.864774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.864774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.864774 (E_RNA)
where:
Base-Base interactions energy: -1300.807
where: short stacking energy: -552.796
Base-Backbone interact. energy: -1.405
local terms energy: -608.652904
where:
bonds (distance) C4'-P energy: -109.528
bonds (distance) P-C4' energy: -115.582
flat angles C4'-P-C4' energy: -124.988
flat angles P-C4'-P energy: -86.287
tors. eta vs tors. theta energy: -172.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1848.520929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.520929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.520929 (E_RNA)
where:
Base-Base interactions energy: -1273.867
where: short stacking energy: -533.659
Base-Backbone interact. energy: -1.339
local terms energy: -573.315472
where:
bonds (distance) C4'-P energy: -108.491
bonds (distance) P-C4' energy: -113.238
flat angles C4'-P-C4' energy: -121.864
flat angles P-C4'-P energy: -80.610
tors. eta vs tors. theta energy: -149.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1490.022635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.022635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.022635 (E_RNA)
where:
Base-Base interactions energy: -979.272
where: short stacking energy: -421.999
Base-Backbone interact. energy: -0.866
local terms energy: -509.884447
where:
bonds (distance) C4'-P energy: -108.712
bonds (distance) P-C4' energy: -126.310
flat angles C4'-P-C4' energy: -109.493
flat angles P-C4'-P energy: -65.619
tors. eta vs tors. theta energy: -99.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1377.973815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.973815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.973815 (E_RNA)
where:
Base-Base interactions energy: -870.982
where: short stacking energy: -381.395
Base-Backbone interact. energy: -1.695
local terms energy: -505.296694
where:
bonds (distance) C4'-P energy: -96.678
bonds (distance) P-C4' energy: -101.987
flat angles C4'-P-C4' energy: -118.323
flat angles P-C4'-P energy: -84.714
tors. eta vs tors. theta energy: -103.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1374.513744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.513744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.513744 (E_RNA)
where:
Base-Base interactions energy: -877.332
where: short stacking energy: -391.568
Base-Backbone interact. energy: -1.890
local terms energy: -495.291909
where:
bonds (distance) C4'-P energy: -106.826
bonds (distance) P-C4' energy: -115.317
flat angles C4'-P-C4' energy: -111.050
flat angles P-C4'-P energy: -56.491
tors. eta vs tors. theta energy: -105.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1203.375985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1203.375985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1203.375985 (E_RNA)
where:
Base-Base interactions energy: -741.769
where: short stacking energy: -336.004
Base-Backbone interact. energy: -1.395
local terms energy: -460.211616
where:
bonds (distance) C4'-P energy: -103.442
bonds (distance) P-C4' energy: -113.154
flat angles C4'-P-C4' energy: -108.028
flat angles P-C4'-P energy: -70.854
tors. eta vs tors. theta energy: -64.734
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: 5
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -855.694124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.694124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.694124 (E_RNA)
where:
Base-Base interactions energy: -486.385
where: short stacking energy: -240.171
Base-Backbone interact. energy: -4.486
local terms energy: -364.823732
where:
bonds (distance) C4'-P energy: -92.682
bonds (distance) P-C4' energy: -103.429
flat angles C4'-P-C4' energy: -83.000
flat angles P-C4'-P energy: -61.895
tors. eta vs tors. theta energy: -23.818
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: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -652.030078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.030078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.030078 (E_RNA)
where:
Base-Base interactions energy: -334.337
where: short stacking energy: -177.156
Base-Backbone interact. energy: 0.612
local terms energy: -318.304944
where:
bonds (distance) C4'-P energy: -100.923
bonds (distance) P-C4' energy: -83.847
flat angles C4'-P-C4' energy: -84.628
flat angles P-C4'-P energy: -53.758
tors. eta vs tors. theta energy: 4.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -471.355517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.355517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.355517 (E_RNA)
where:
Base-Base interactions energy: -168.706
where: short stacking energy: -146.975
Base-Backbone interact. energy: -1.303
local terms energy: -301.346519
where:
bonds (distance) C4'-P energy: -94.084
bonds (distance) P-C4' energy: -107.961
flat angles C4'-P-C4' energy: -64.336
flat angles P-C4'-P energy: -50.086
tors. eta vs tors. theta energy: 15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -2037.160489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.160489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.160489 (E_RNA)
where:
Base-Base interactions energy: -1438.067
where: short stacking energy: -586.889
Base-Backbone interact. energy: -4.050
local terms energy: -595.042956
where:
bonds (distance) C4'-P energy: -117.340
bonds (distance) P-C4' energy: -104.434
flat angles C4'-P-C4' energy: -133.786
flat angles P-C4'-P energy: -77.534
tors. eta vs tors. theta energy: -161.949
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: 8
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1894.610143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.610143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.610143 (E_RNA)
where:
Base-Base interactions energy: -1305.096
where: short stacking energy: -548.643
Base-Backbone interact. energy: 1.443
local terms energy: -590.957194
where:
bonds (distance) C4'-P energy: -102.853
bonds (distance) P-C4' energy: -119.531
flat angles C4'-P-C4' energy: -124.877
flat angles P-C4'-P energy: -90.149
tors. eta vs tors. theta energy: -153.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1847.530616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.530616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.530616 (E_RNA)
where:
Base-Base interactions energy: -1267.240
where: short stacking energy: -551.548
Base-Backbone interact. energy: -5.307
local terms energy: -574.983938
where:
bonds (distance) C4'-P energy: -102.137
bonds (distance) P-C4' energy: -114.208
flat angles C4'-P-C4' energy: -123.737
flat angles P-C4'-P energy: -74.272
tors. eta vs tors. theta energy: -160.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1566.031045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.031045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.031045 (E_RNA)
where:
Base-Base interactions energy: -1016.080
where: short stacking energy: -452.145
Base-Backbone interact. energy: -2.323
local terms energy: -547.628936
where:
bonds (distance) C4'-P energy: -92.215
bonds (distance) P-C4' energy: -112.899
flat angles C4'-P-C4' energy: -130.577
flat angles P-C4'-P energy: -86.151
tors. eta vs tors. theta energy: -125.788
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: 5, replica: 3
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1413.045022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.045022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.045022 (E_RNA)
where:
Base-Base interactions energy: -900.361
where: short stacking energy: -411.735
Base-Backbone interact. energy: -2.100
local terms energy: -510.583747
where:
bonds (distance) C4'-P energy: -92.756
bonds (distance) P-C4' energy: -113.536
flat angles C4'-P-C4' energy: -116.859
flat angles P-C4'-P energy: -66.579
tors. eta vs tors. theta energy: -120.853
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: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1337.833579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.833579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.833579 (E_RNA)
where:
Base-Base interactions energy: -849.964
where: short stacking energy: -347.885
Base-Backbone interact. energy: -0.016
local terms energy: -487.853968
where:
bonds (distance) C4'-P energy: -100.431
bonds (distance) P-C4' energy: -107.272
flat angles C4'-P-C4' energy: -107.985
flat angles P-C4'-P energy: -79.204
tors. eta vs tors. theta energy: -92.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1189.151620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.151620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.151620 (E_RNA)
where:
Base-Base interactions energy: -736.580
where: short stacking energy: -349.978
Base-Backbone interact. energy: 1.083
local terms energy: -453.654713
where:
bonds (distance) C4'-P energy: -104.584
bonds (distance) P-C4' energy: -105.051
flat angles C4'-P-C4' energy: -100.588
flat angles P-C4'-P energy: -59.925
tors. eta vs tors. theta energy: -83.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -863.102262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.102262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.102262 (E_RNA)
where:
Base-Base interactions energy: -492.040
where: short stacking energy: -239.421
Base-Backbone interact. energy: -2.449
local terms energy: -368.613732
where:
bonds (distance) C4'-P energy: -106.176
bonds (distance) P-C4' energy: -107.517
flat angles C4'-P-C4' energy: -69.036
flat angles P-C4'-P energy: -56.649
tors. eta vs tors. theta energy: -29.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -643.368324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.368324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.368324 (E_RNA)
where:
Base-Base interactions energy: -330.380
where: short stacking energy: -176.202
Base-Backbone interact. energy: -3.514
local terms energy: -309.474123
where:
bonds (distance) C4'-P energy: -90.795
bonds (distance) P-C4' energy: -89.382
flat angles C4'-P-C4' energy: -86.157
flat angles P-C4'-P energy: -46.283
tors. eta vs tors. theta energy: 3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -473.555449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.555449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.555449 (E_RNA)
where:
Base-Base interactions energy: -157.270
where: short stacking energy: -104.717
Base-Backbone interact. energy: -1.790
local terms energy: -314.495446
where:
bonds (distance) C4'-P energy: -68.279
bonds (distance) P-C4' energy: -119.808
flat angles C4'-P-C4' energy: -96.187
flat angles P-C4'-P energy: -43.390
tors. eta vs tors. theta energy: 13.169
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: 130
Temperature: 0.900000
Total energy: -2053.196179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.196179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.196179 (E_RNA)
where:
Base-Base interactions energy: -1418.199
where: short stacking energy: -580.917
Base-Backbone interact. energy: -3.115
local terms energy: -631.883081
where:
bonds (distance) C4'-P energy: -113.913
bonds (distance) P-C4' energy: -121.024
flat angles C4'-P-C4' energy: -130.261
flat angles P-C4'-P energy: -90.215
tors. eta vs tors. theta energy: -176.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1901.897753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.897753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.897753 (E_RNA)
where:
Base-Base interactions energy: -1309.244
where: short stacking energy: -557.332
Base-Backbone interact. energy: -1.294
local terms energy: -591.359771
where:
bonds (distance) C4'-P energy: -116.283
bonds (distance) P-C4' energy: -106.772
flat angles C4'-P-C4' energy: -125.733
flat angles P-C4'-P energy: -81.122
tors. eta vs tors. theta energy: -161.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1830.251090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.251090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.251090 (E_RNA)
where:
Base-Base interactions energy: -1246.034
where: short stacking energy: -519.879
Base-Backbone interact. energy: -2.499
local terms energy: -581.717575
where:
bonds (distance) C4'-P energy: -108.391
bonds (distance) P-C4' energy: -114.158
flat angles C4'-P-C4' energy: -125.248
flat angles P-C4'-P energy: -85.065
tors. eta vs tors. theta energy: -148.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1608.097955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.097955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.097955 (E_RNA)
where:
Base-Base interactions energy: -1065.085
where: short stacking energy: -475.175
Base-Backbone interact. energy: -4.822
local terms energy: -538.190837
where:
bonds (distance) C4'-P energy: -111.583
bonds (distance) P-C4' energy: -113.886
flat angles C4'-P-C4' energy: -119.208
flat angles P-C4'-P energy: -69.144
tors. eta vs tors. theta energy: -124.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1443.306830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.306830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.306830 (E_RNA)
where:
Base-Base interactions energy: -945.140
where: short stacking energy: -412.413
Base-Backbone interact. energy: 2.891
local terms energy: -501.058634
where:
bonds (distance) C4'-P energy: -106.231
bonds (distance) P-C4' energy: -100.960
flat angles C4'-P-C4' energy: -111.257
flat angles P-C4'-P energy: -69.218
tors. eta vs tors. theta energy: -113.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1378.040497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.040497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.040497 (E_RNA)
where:
Base-Base interactions energy: -916.061
where: short stacking energy: -409.359
Base-Backbone interact. energy: -1.801
local terms energy: -460.178340
where:
bonds (distance) C4'-P energy: -92.440
bonds (distance) P-C4' energy: -104.280
flat angles C4'-P-C4' energy: -110.316
flat angles P-C4'-P energy: -60.333
tors. eta vs tors. theta energy: -92.809
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: 7, replica: 10
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1214.970441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.970441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.970441 (E_RNA)
where:
Base-Base interactions energy: -764.663
where: short stacking energy: -373.796
Base-Backbone interact. energy: -0.190
local terms energy: -450.117350
where:
bonds (distance) C4'-P energy: -108.082
bonds (distance) P-C4' energy: -92.879
flat angles C4'-P-C4' energy: -93.619
flat angles P-C4'-P energy: -69.378
tors. eta vs tors. theta energy: -86.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -930.316866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.316866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.316866 (E_RNA)
where:
Base-Base interactions energy: -547.129
where: short stacking energy: -246.592
Base-Backbone interact. energy: 1.322
local terms energy: -384.509839
where:
bonds (distance) C4'-P energy: -93.223
bonds (distance) P-C4' energy: -98.081
flat angles C4'-P-C4' energy: -90.967
flat angles P-C4'-P energy: -65.403
tors. eta vs tors. theta energy: -36.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -509.531665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.531665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.531665 (E_RNA)
where:
Base-Base interactions energy: -173.864
where: short stacking energy: -134.432
Base-Backbone interact. energy: -2.859
local terms energy: -332.807884
where:
bonds (distance) C4'-P energy: -91.467
bonds (distance) P-C4' energy: -111.626
flat angles C4'-P-C4' energy: -97.476
flat angles P-C4'-P energy: -44.820
tors. eta vs tors. theta energy: 12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -599.555533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.555533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.555533 (E_RNA)
where:
Base-Base interactions energy: -289.386
where: short stacking energy: -168.793
Base-Backbone interact. energy: 2.826
local terms energy: -312.996291
where:
bonds (distance) C4'-P energy: -98.689
bonds (distance) P-C4' energy: -90.637
flat angles C4'-P-C4' energy: -77.957
flat angles P-C4'-P energy: -48.502
tors. eta vs tors. theta energy: 2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -2049.716844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.716844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.716844 (E_RNA)
where:
Base-Base interactions energy: -1436.026
where: short stacking energy: -590.052
Base-Backbone interact. energy: -3.003
local terms energy: -610.687155
where:
bonds (distance) C4'-P energy: -109.254
bonds (distance) P-C4' energy: -118.689
flat angles C4'-P-C4' energy: -125.180
flat angles P-C4'-P energy: -90.187
tors. eta vs tors. theta energy: -167.377
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: 8
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1908.196158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.196158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.196158 (E_RNA)
where:
Base-Base interactions energy: -1330.412
where: short stacking energy: -565.384
Base-Backbone interact. energy: -3.889
local terms energy: -573.895018
where:
bonds (distance) C4'-P energy: -106.406
bonds (distance) P-C4' energy: -92.361
flat angles C4'-P-C4' energy: -132.539
flat angles P-C4'-P energy: -78.272
tors. eta vs tors. theta energy: -164.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1849.005887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.005887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.005887 (E_RNA)
where:
Base-Base interactions energy: -1295.900
where: short stacking energy: -535.485
Base-Backbone interact. energy: -2.412
local terms energy: -550.693603
where:
bonds (distance) C4'-P energy: -100.241
bonds (distance) P-C4' energy: -103.751
flat angles C4'-P-C4' energy: -125.328
flat angles P-C4'-P energy: -74.253
tors. eta vs tors. theta energy: -147.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1575.764141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.764141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.764141 (E_RNA)
where:
Base-Base interactions energy: -1043.906
where: short stacking energy: -462.247
Base-Backbone interact. energy: -0.167
local terms energy: -531.690237
where:
bonds (distance) C4'-P energy: -89.253
bonds (distance) P-C4' energy: -113.426
flat angles C4'-P-C4' energy: -118.045
flat angles P-C4'-P energy: -82.370
tors. eta vs tors. theta energy: -128.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1494.816478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.816478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.816478 (E_RNA)
where:
Base-Base interactions energy: -983.849
where: short stacking energy: -428.984
Base-Backbone interact. energy: 0.260
local terms energy: -511.228017
where:
bonds (distance) C4'-P energy: -102.592
bonds (distance) P-C4' energy: -99.321
flat angles C4'-P-C4' energy: -115.125
flat angles P-C4'-P energy: -71.799
tors. eta vs tors. theta energy: -122.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1312.285805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.285805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.285805 (E_RNA)
where:
Base-Base interactions energy: -834.374
where: short stacking energy: -376.466
Base-Backbone interact. energy: -4.302
local terms energy: -473.609240
where:
bonds (distance) C4'-P energy: -105.234
bonds (distance) P-C4' energy: -97.423
flat angles C4'-P-C4' energy: -116.787
flat angles P-C4'-P energy: -62.799
tors. eta vs tors. theta energy: -91.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1179.236935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.236935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.236935 (E_RNA)
where:
Base-Base interactions energy: -770.736
where: short stacking energy: -329.987
Base-Backbone interact. energy: -1.786
local terms energy: -406.714872
where:
bonds (distance) C4'-P energy: -88.387
bonds (distance) P-C4' energy: -100.218
flat angles C4'-P-C4' energy: -103.835
flat angles P-C4'-P energy: -68.212
tors. eta vs tors. theta energy: -46.063
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: 5
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -991.645713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.645713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.645713 (E_RNA)
where:
Base-Base interactions energy: -622.603
where: short stacking energy: -290.421
Base-Backbone interact. energy: 1.292
local terms energy: -370.334829
where:
bonds (distance) C4'-P energy: -87.219
bonds (distance) P-C4' energy: -100.534
flat angles C4'-P-C4' energy: -83.041
flat angles P-C4'-P energy: -46.569
tors. eta vs tors. theta energy: -52.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -527.018783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.018783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.018783 (E_RNA)
where:
Base-Base interactions energy: -223.260
where: short stacking energy: -147.609
Base-Backbone interact. energy: 0.509
local terms energy: -304.268046
where:
bonds (distance) C4'-P energy: -86.460
bonds (distance) P-C4' energy: -95.362
flat angles C4'-P-C4' energy: -96.954
flat angles P-C4'-P energy: -37.051
tors. eta vs tors. theta energy: 11.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -610.588185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.588185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.588185 (E_RNA)
where:
Base-Base interactions energy: -313.905
where: short stacking energy: -170.555
Base-Backbone interact. energy: 0.361
local terms energy: -297.044014
where:
bonds (distance) C4'-P energy: -92.591
bonds (distance) P-C4' energy: -105.504
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -47.933
tors. eta vs tors. theta energy: 7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -2059.810922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.810922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.810922 (E_RNA)
where:
Base-Base interactions energy: -1443.400
where: short stacking energy: -598.357
Base-Backbone interact. energy: 2.810
local terms energy: -619.220983
where:
bonds (distance) C4'-P energy: -108.595
bonds (distance) P-C4' energy: -123.818
flat angles C4'-P-C4' energy: -127.400
flat angles P-C4'-P energy: -83.538
tors. eta vs tors. theta energy: -175.871
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: 8
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1906.396874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.396874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.396874 (E_RNA)
where:
Base-Base interactions energy: -1320.086
where: short stacking energy: -562.029
Base-Backbone interact. energy: -4.249
local terms energy: -582.060988
where:
bonds (distance) C4'-P energy: -111.194
bonds (distance) P-C4' energy: -116.032
flat angles C4'-P-C4' energy: -119.685
flat angles P-C4'-P energy: -71.342
tors. eta vs tors. theta energy: -163.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -1835.928030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.928030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.928030 (E_RNA)
where:
Base-Base interactions energy: -1273.757
where: short stacking energy: -528.149
Base-Backbone interact. energy: 1.093
local terms energy: -563.264473
where:
bonds (distance) C4'-P energy: -113.984
bonds (distance) P-C4' energy: -95.711
flat angles C4'-P-C4' energy: -119.465
flat angles P-C4'-P energy: -89.530
tors. eta vs tors. theta energy: -144.574
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: 4, replica: 6
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1571.191506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.191506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.191506 (E_RNA)
where:
Base-Base interactions energy: -1039.643
where: short stacking energy: -468.613
Base-Backbone interact. energy: 0.414
local terms energy: -531.962349
where:
bonds (distance) C4'-P energy: -107.134
bonds (distance) P-C4' energy: -97.996
flat angles C4'-P-C4' energy: -117.825
flat angles P-C4'-P energy: -74.486
tors. eta vs tors. theta energy: -134.522
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: 132
Temperature: 1.100000
Total energy: -1456.307900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.307900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.307900 (E_RNA)
where:
Base-Base interactions energy: -959.266
where: short stacking energy: -425.351
Base-Backbone interact. energy: -2.024
local terms energy: -495.017860
where:
bonds (distance) C4'-P energy: -94.636
bonds (distance) P-C4' energy: -100.357
flat angles C4'-P-C4' energy: -117.868
flat angles P-C4'-P energy: -75.924
tors. eta vs tors. theta energy: -106.233
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: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1306.103989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.103989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.103989 (E_RNA)
where:
Base-Base interactions energy: -829.553
where: short stacking energy: -369.820
Base-Backbone interact. energy: -3.722
local terms energy: -472.828971
where:
bonds (distance) C4'-P energy: -102.307
bonds (distance) P-C4' energy: -103.253
flat angles C4'-P-C4' energy: -98.572
flat angles P-C4'-P energy: -74.578
tors. eta vs tors. theta energy: -94.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1218.611966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.611966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.611966 (E_RNA)
where:
Base-Base interactions energy: -759.051
where: short stacking energy: -346.519
Base-Backbone interact. energy: -1.412
local terms energy: -458.148719
where:
bonds (distance) C4'-P energy: -100.147
bonds (distance) P-C4' energy: -91.082
flat angles C4'-P-C4' energy: -108.682
flat angles P-C4'-P energy: -88.333
tors. eta vs tors. theta energy: -69.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -985.034058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.034058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.034058 (E_RNA)
where:
Base-Base interactions energy: -595.656
where: short stacking energy: -267.116
Base-Backbone interact. energy: -0.802
local terms energy: -388.575975
where:
bonds (distance) C4'-P energy: -89.542
bonds (distance) P-C4' energy: -86.629
flat angles C4'-P-C4' energy: -107.076
flat angles P-C4'-P energy: -68.591
tors. eta vs tors. theta energy: -36.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -736.311487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.311487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.311487 (E_RNA)
where:
Base-Base interactions energy: -351.054
where: short stacking energy: -211.992
Base-Backbone interact. energy: -1.691
local terms energy: -383.566109
where:
bonds (distance) C4'-P energy: -97.436
bonds (distance) P-C4' energy: -100.455
flat angles C4'-P-C4' energy: -96.612
flat angles P-C4'-P energy: -50.414
tors. eta vs tors. theta energy: -38.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -537.326107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.326107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.326107 (E_RNA)
where:
Base-Base interactions energy: -262.786
where: short stacking energy: -161.041
Base-Backbone interact. energy: 0.701
local terms energy: -275.241131
where:
bonds (distance) C4'-P energy: -77.278
bonds (distance) P-C4' energy: -87.302
flat angles C4'-P-C4' energy: -80.291
flat angles P-C4'-P energy: -45.205
tors. eta vs tors. theta energy: 14.835
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: 7
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -2033.836728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.836728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.836728 (E_RNA)
where:
Base-Base interactions energy: -1406.136
where: short stacking energy: -597.620
Base-Backbone interact. energy: 0.288
local terms energy: -627.988207
where:
bonds (distance) C4'-P energy: -110.672
bonds (distance) P-C4' energy: -127.058
flat angles C4'-P-C4' energy: -131.810
flat angles P-C4'-P energy: -93.851
tors. eta vs tors. theta energy: -164.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1941.097499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.097499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.097499 (E_RNA)
where:
Base-Base interactions energy: -1338.401
where: short stacking energy: -571.103
Base-Backbone interact. energy: -3.412
local terms energy: -599.283867
where:
bonds (distance) C4'-P energy: -110.777
bonds (distance) P-C4' energy: -102.287
flat angles C4'-P-C4' energy: -140.014
flat angles P-C4'-P energy: -75.154
tors. eta vs tors. theta energy: -171.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1872.710102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.710102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.710102 (E_RNA)
where:
Base-Base interactions energy: -1301.252
where: short stacking energy: -570.557
Base-Backbone interact. energy: -5.518
local terms energy: -565.940396
where:
bonds (distance) C4'-P energy: -102.271
bonds (distance) P-C4' energy: -105.859
flat angles C4'-P-C4' energy: -121.843
flat angles P-C4'-P energy: -77.182
tors. eta vs tors. theta energy: -158.785
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: 6
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1588.783273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.783273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.783273 (E_RNA)
where:
Base-Base interactions energy: -1051.867
where: short stacking energy: -459.388
Base-Backbone interact. energy: 3.491
local terms energy: -540.407325
where:
bonds (distance) C4'-P energy: -102.212
bonds (distance) P-C4' energy: -114.082
flat angles C4'-P-C4' energy: -121.026
flat angles P-C4'-P energy: -72.377
tors. eta vs tors. theta energy: -130.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1447.818344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.818344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.818344 (E_RNA)
where:
Base-Base interactions energy: -928.242
where: short stacking energy: -439.926
Base-Backbone interact. energy: -0.988
local terms energy: -518.588178
where:
bonds (distance) C4'-P energy: -102.578
bonds (distance) P-C4' energy: -103.395
flat angles C4'-P-C4' energy: -120.213
flat angles P-C4'-P energy: -76.375
tors. eta vs tors. theta energy: -116.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1332.033467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.033467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.033467 (E_RNA)
where:
Base-Base interactions energy: -859.629
where: short stacking energy: -367.634
Base-Backbone interact. energy: -1.138
local terms energy: -471.266583
where:
bonds (distance) C4'-P energy: -97.921
bonds (distance) P-C4' energy: -99.134
flat angles C4'-P-C4' energy: -103.838
flat angles P-C4'-P energy: -73.071
tors. eta vs tors. theta energy: -97.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1233.172897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.172897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.172897 (E_RNA)
where:
Base-Base interactions energy: -800.755
where: short stacking energy: -348.316
Base-Backbone interact. energy: -1.059
local terms energy: -431.358459
where:
bonds (distance) C4'-P energy: -86.349
bonds (distance) P-C4' energy: -105.215
flat angles C4'-P-C4' energy: -106.244
flat angles P-C4'-P energy: -54.192
tors. eta vs tors. theta energy: -79.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -986.170452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.170452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.170452 (E_RNA)
where:
Base-Base interactions energy: -616.369
where: short stacking energy: -305.646
Base-Backbone interact. energy: -1.783
local terms energy: -368.018156
where:
bonds (distance) C4'-P energy: -78.809
bonds (distance) P-C4' energy: -92.509
flat angles C4'-P-C4' energy: -101.726
flat angles P-C4'-P energy: -48.681
tors. eta vs tors. theta energy: -46.293
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: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -712.033298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.033298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.033298 (E_RNA)
where:
Base-Base interactions energy: -392.132
where: short stacking energy: -196.125
Base-Backbone interact. energy: -0.233
local terms energy: -319.668369
where:
bonds (distance) C4'-P energy: -91.250
bonds (distance) P-C4' energy: -107.043
flat angles C4'-P-C4' energy: -68.229
flat angles P-C4'-P energy: -42.675
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: 10, replica: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -527.569985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.569985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.569985 (E_RNA)
where:
Base-Base interactions energy: -243.479
where: short stacking energy: -152.427
Base-Backbone interact. energy: 1.778
local terms energy: -285.869088
where:
bonds (distance) C4'-P energy: -75.163
bonds (distance) P-C4' energy: -85.385
flat angles C4'-P-C4' energy: -86.130
flat angles P-C4'-P energy: -45.589
tors. eta vs tors. theta energy: 6.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -2040.188446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.188446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.188446 (E_RNA)
where:
Base-Base interactions energy: -1401.337
where: short stacking energy: -576.746
Base-Backbone interact. energy: -2.300
local terms energy: -636.551298
where:
bonds (distance) C4'-P energy: -127.593
bonds (distance) P-C4' energy: -124.631
flat angles C4'-P-C4' energy: -129.557
flat angles P-C4'-P energy: -86.770
tors. eta vs tors. theta energy: -167.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1909.247942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.247942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.247942 (E_RNA)
where:
Base-Base interactions energy: -1318.618
where: short stacking energy: -545.526
Base-Backbone interact. energy: 6.400
local terms energy: -597.030288
where:
bonds (distance) C4'-P energy: -113.593
bonds (distance) P-C4' energy: -121.685
flat angles C4'-P-C4' energy: -126.375
flat angles P-C4'-P energy: -72.044
tors. eta vs tors. theta energy: -163.333
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: 9
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1875.291257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.291257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.291257 (E_RNA)
where:
Base-Base interactions energy: -1268.295
where: short stacking energy: -538.962
Base-Backbone interact. energy: -2.368
local terms energy: -604.628662
where:
bonds (distance) C4'-P energy: -110.474
bonds (distance) P-C4' energy: -113.388
flat angles C4'-P-C4' energy: -135.390
flat angles P-C4'-P energy: -87.917
tors. eta vs tors. theta energy: -157.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1570.167932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.167932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.167932 (E_RNA)
where:
Base-Base interactions energy: -1060.784
where: short stacking energy: -460.497
Base-Backbone interact. energy: -1.550
local terms energy: -507.833121
where:
bonds (distance) C4'-P energy: -100.345
bonds (distance) P-C4' energy: -100.896
flat angles C4'-P-C4' energy: -112.915
flat angles P-C4'-P energy: -69.591
tors. eta vs tors. theta energy: -124.086
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: 134
Temperature: 1.100000
Total energy: -1448.363077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.363077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.363077 (E_RNA)
where:
Base-Base interactions energy: -923.141
where: short stacking energy: -425.625
Base-Backbone interact. energy: -1.831
local terms energy: -523.390807
where:
bonds (distance) C4'-P energy: -96.811
bonds (distance) P-C4' energy: -118.906
flat angles C4'-P-C4' energy: -117.139
flat angles P-C4'-P energy: -79.396
tors. eta vs tors. theta energy: -111.139
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: 2
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1363.034879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.034879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.034879 (E_RNA)
where:
Base-Base interactions energy: -895.223
where: short stacking energy: -380.666
Base-Backbone interact. energy: -1.751
local terms energy: -466.060867
where:
bonds (distance) C4'-P energy: -98.724
bonds (distance) P-C4' energy: -97.112
flat angles C4'-P-C4' energy: -109.763
flat angles P-C4'-P energy: -75.095
tors. eta vs tors. theta energy: -85.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1214.892211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.892211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.892211 (E_RNA)
where:
Base-Base interactions energy: -763.846
where: short stacking energy: -345.547
Base-Backbone interact. energy: -0.719
local terms energy: -450.327103
where:
bonds (distance) C4'-P energy: -85.303
bonds (distance) P-C4' energy: -97.643
flat angles C4'-P-C4' energy: -118.939
flat angles P-C4'-P energy: -81.492
tors. eta vs tors. theta energy: -66.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -902.215991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.215991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.215991 (E_RNA)
where:
Base-Base interactions energy: -536.892
where: short stacking energy: -259.070
Base-Backbone interact. energy: -3.994
local terms energy: -361.330152
where:
bonds (distance) C4'-P energy: -86.115
bonds (distance) P-C4' energy: -97.439
flat angles C4'-P-C4' energy: -106.138
flat angles P-C4'-P energy: -48.545
tors. eta vs tors. theta energy: -23.093
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: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -679.801484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.801484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.801484 (E_RNA)
where:
Base-Base interactions energy: -337.702
where: short stacking energy: -169.881
Base-Backbone interact. energy: 4.823
local terms energy: -346.922438
where:
bonds (distance) C4'-P energy: -94.719
bonds (distance) P-C4' energy: -124.819
flat angles C4'-P-C4' energy: -92.481
flat angles P-C4'-P energy: -47.144
tors. eta vs tors. theta energy: 12.240
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: 4
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -468.330034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.330034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.330034 (E_RNA)
where:
Base-Base interactions energy: -171.795
where: short stacking energy: -143.934
Base-Backbone interact. energy: -4.165
local terms energy: -292.369907
where:
bonds (distance) C4'-P energy: -101.945
bonds (distance) P-C4' energy: -89.880
flat angles C4'-P-C4' energy: -71.628
flat angles P-C4'-P energy: -40.600
tors. eta vs tors. theta energy: 11.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -2016.387920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.387920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.387920 (E_RNA)
where:
Base-Base interactions energy: -1413.331
where: short stacking energy: -587.268
Base-Backbone interact. energy: -1.623
local terms energy: -601.433415
where:
bonds (distance) C4'-P energy: -109.437
bonds (distance) P-C4' energy: -112.232
flat angles C4'-P-C4' energy: -122.784
flat angles P-C4'-P energy: -84.804
tors. eta vs tors. theta energy: -172.177
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: 8
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1932.044505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.044505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.044505 (E_RNA)
where:
Base-Base interactions energy: -1325.894
where: short stacking energy: -590.274
Base-Backbone interact. energy: -2.757
local terms energy: -603.393474
where:
bonds (distance) C4'-P energy: -118.715
bonds (distance) P-C4' energy: -107.726
flat angles C4'-P-C4' energy: -125.488
flat angles P-C4'-P energy: -87.053
tors. eta vs tors. theta energy: -164.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1867.519288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.519288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.519288 (E_RNA)
where:
Base-Base interactions energy: -1293.651
where: short stacking energy: -561.913
Base-Backbone interact. energy: -0.156
local terms energy: -573.712771
where:
bonds (distance) C4'-P energy: -110.830
bonds (distance) P-C4' energy: -112.435
flat angles C4'-P-C4' energy: -122.608
flat angles P-C4'-P energy: -82.093
tors. eta vs tors. theta energy: -145.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1519.211853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.211853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.211853 (E_RNA)
where:
Base-Base interactions energy: -991.926
where: short stacking energy: -446.134
Base-Backbone interact. energy: -1.108
local terms energy: -526.177843
where:
bonds (distance) C4'-P energy: -106.082
bonds (distance) P-C4' energy: -112.175
flat angles C4'-P-C4' energy: -116.832
flat angles P-C4'-P energy: -81.806
tors. eta vs tors. theta energy: -109.283
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: 5, replica: 3
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1419.367741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.367741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.367741 (E_RNA)
where:
Base-Base interactions energy: -941.878
where: short stacking energy: -403.912
Base-Backbone interact. energy: -0.608
local terms energy: -476.882046
where:
bonds (distance) C4'-P energy: -98.175
bonds (distance) P-C4' energy: -106.247
flat angles C4'-P-C4' energy: -106.763
flat angles P-C4'-P energy: -71.513
tors. eta vs tors. theta energy: -94.184
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: 2
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1397.648041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.648041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.648041 (E_RNA)
where:
Base-Base interactions energy: -925.088
where: short stacking energy: -387.959
Base-Backbone interact. energy: 0.953
local terms energy: -473.512252
where:
bonds (distance) C4'-P energy: -85.028
bonds (distance) P-C4' energy: -100.104
flat angles C4'-P-C4' energy: -105.453
flat angles P-C4'-P energy: -82.047
tors. eta vs tors. theta energy: -100.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1161.372323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.372323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.372323 (E_RNA)
where:
Base-Base interactions energy: -722.546
where: short stacking energy: -332.139
Base-Backbone interact. energy: 2.092
local terms energy: -440.918263
where:
bonds (distance) C4'-P energy: -107.903
bonds (distance) P-C4' energy: -109.309
flat angles C4'-P-C4' energy: -93.043
flat angles P-C4'-P energy: -51.700
tors. eta vs tors. theta energy: -78.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -689.524766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.524766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.524766 (E_RNA)
where:
Base-Base interactions energy: -337.557
where: short stacking energy: -197.060
Base-Backbone interact. energy: 0.931
local terms energy: -352.898499
where:
bonds (distance) C4'-P energy: -115.022
bonds (distance) P-C4' energy: -107.032
flat angles C4'-P-C4' energy: -79.946
flat angles P-C4'-P energy: -59.330
tors. eta vs tors. theta energy: 8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -801.811417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.811417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.811417 (E_RNA)
where:
Base-Base interactions energy: -439.131
where: short stacking energy: -211.361
Base-Backbone interact. energy: 0.989
local terms energy: -363.669661
where:
bonds (distance) C4'-P energy: -90.149
bonds (distance) P-C4' energy: -105.621
flat angles C4'-P-C4' energy: -96.546
flat angles P-C4'-P energy: -58.703
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -452.996231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.996231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.996231 (E_RNA)
where:
Base-Base interactions energy: -172.965
where: short stacking energy: -138.350
Base-Backbone interact. energy: -0.780
local terms energy: -279.251351
where:
bonds (distance) C4'-P energy: -81.298
bonds (distance) P-C4' energy: -94.029
flat angles C4'-P-C4' energy: -56.152
flat angles P-C4'-P energy: -57.443
tors. eta vs tors. theta energy: 9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -2002.805522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.805522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.805522 (E_RNA)
where:
Base-Base interactions energy: -1366.698
where: short stacking energy: -561.354
Base-Backbone interact. energy: -2.252
local terms energy: -633.855444
where:
bonds (distance) C4'-P energy: -110.846
bonds (distance) P-C4' energy: -126.942
flat angles C4'-P-C4' energy: -135.936
flat angles P-C4'-P energy: -100.041
tors. eta vs tors. theta energy: -160.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1921.437947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.437947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.437947 (E_RNA)
where:
Base-Base interactions energy: -1321.989
where: short stacking energy: -572.159
Base-Backbone interact. energy: -2.942
local terms energy: -596.506724
where:
bonds (distance) C4'-P energy: -124.556
bonds (distance) P-C4' energy: -117.867
flat angles C4'-P-C4' energy: -123.129
flat angles P-C4'-P energy: -71.129
tors. eta vs tors. theta energy: -159.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1860.861103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.861103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.861103 (E_RNA)
where:
Base-Base interactions energy: -1265.439
where: short stacking energy: -536.073
Base-Backbone interact. energy: -3.107
local terms energy: -592.314865
where:
bonds (distance) C4'-P energy: -105.818
bonds (distance) P-C4' energy: -114.082
flat angles C4'-P-C4' energy: -139.983
flat angles P-C4'-P energy: -83.503
tors. eta vs tors. theta energy: -148.930
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: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1567.379583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.379583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.379583 (E_RNA)
where:
Base-Base interactions energy: -1034.965
where: short stacking energy: -465.665
Base-Backbone interact. energy: -1.840
local terms energy: -530.574870
where:
bonds (distance) C4'-P energy: -88.494
bonds (distance) P-C4' energy: -111.359
flat angles C4'-P-C4' energy: -114.613
flat angles P-C4'-P energy: -92.070
tors. eta vs tors. theta energy: -124.038
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: 5, replica: 3
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1423.960704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.960704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.960704 (E_RNA)
where:
Base-Base interactions energy: -923.127
where: short stacking energy: -407.865
Base-Backbone interact. energy: -2.781
local terms energy: -498.053104
where:
bonds (distance) C4'-P energy: -98.049
bonds (distance) P-C4' energy: -118.099
flat angles C4'-P-C4' energy: -109.723
flat angles P-C4'-P energy: -75.061
tors. eta vs tors. theta energy: -97.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1275.436042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.436042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.436042 (E_RNA)
where:
Base-Base interactions energy: -823.902
where: short stacking energy: -367.057
Base-Backbone interact. energy: -4.257
local terms energy: -447.277703
where:
bonds (distance) C4'-P energy: -96.444
bonds (distance) P-C4' energy: -108.022
flat angles C4'-P-C4' energy: -96.258
flat angles P-C4'-P energy: -66.128
tors. eta vs tors. theta energy: -80.426
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: 10
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1236.400272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1236.400272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1236.400272 (E_RNA)
where:
Base-Base interactions energy: -785.755
where: short stacking energy: -353.785
Base-Backbone interact. energy: 0.400
local terms energy: -451.045693
where:
bonds (distance) C4'-P energy: -100.262
bonds (distance) P-C4' energy: -112.019
flat angles C4'-P-C4' energy: -101.945
flat angles P-C4'-P energy: -66.539
tors. eta vs tors. theta energy: -70.280
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: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -694.149227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.149227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.149227 (E_RNA)
where:
Base-Base interactions energy: -350.045
where: short stacking energy: -202.475
Base-Backbone interact. energy: -1.554
local terms energy: -342.550266
where:
bonds (distance) C4'-P energy: -98.134
bonds (distance) P-C4' energy: -96.797
flat angles C4'-P-C4' energy: -77.630
flat angles P-C4'-P energy: -72.837
tors. eta vs tors. theta energy: 2.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -791.645902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.645902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.645902 (E_RNA)
where:
Base-Base interactions energy: -453.854
where: short stacking energy: -207.906
Base-Backbone interact. energy: 0.571
local terms energy: -338.362093
where:
bonds (distance) C4'-P energy: -92.497
bonds (distance) P-C4' energy: -105.958
flat angles C4'-P-C4' energy: -79.307
flat angles P-C4'-P energy: -44.510
tors. eta vs tors. theta energy: -16.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -470.810939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.810939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.810939 (E_RNA)
where:
Base-Base interactions energy: -173.189
where: short stacking energy: -158.771
Base-Backbone interact. energy: -0.301
local terms energy: -297.321093
where:
bonds (distance) C4'-P energy: -98.646
bonds (distance) P-C4' energy: -97.847
flat angles C4'-P-C4' energy: -77.986
flat angles P-C4'-P energy: -31.761
tors. eta vs tors. theta energy: 8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -2000.985124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.985124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.985124 (E_RNA)
where:
Base-Base interactions energy: -1377.345
where: short stacking energy: -595.190
Base-Backbone interact. energy: -3.835
local terms energy: -619.805351
where:
bonds (distance) C4'-P energy: -110.936
bonds (distance) P-C4' energy: -123.710
flat angles C4'-P-C4' energy: -130.733
flat angles P-C4'-P energy: -87.164
tors. eta vs tors. theta energy: -167.262
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: 8
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1903.652689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.652689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.652689 (E_RNA)
where:
Base-Base interactions energy: -1306.282
where: short stacking energy: -566.747
Base-Backbone interact. energy: -1.379
local terms energy: -595.991883
where:
bonds (distance) C4'-P energy: -118.637
bonds (distance) P-C4' energy: -101.473
flat angles C4'-P-C4' energy: -131.382
flat angles P-C4'-P energy: -81.990
tors. eta vs tors. theta energy: -162.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1879.020292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.020292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.020292 (E_RNA)
where:
Base-Base interactions energy: -1316.504
where: short stacking energy: -565.935
Base-Backbone interact. energy: 3.805
local terms energy: -566.321189
where:
bonds (distance) C4'-P energy: -97.027
bonds (distance) P-C4' energy: -103.783
flat angles C4'-P-C4' energy: -124.208
flat angles P-C4'-P energy: -86.435
tors. eta vs tors. theta energy: -154.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1557.449385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.449385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.449385 (E_RNA)
where:
Base-Base interactions energy: -1037.352
where: short stacking energy: -465.127
Base-Backbone interact. energy: -3.219
local terms energy: -516.878885
where:
bonds (distance) C4'-P energy: -97.623
bonds (distance) P-C4' energy: -115.644
flat angles C4'-P-C4' energy: -118.511
flat angles P-C4'-P energy: -66.700
tors. eta vs tors. theta energy: -118.402
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: 137
Temperature: 1.100000
Total energy: -1414.510339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.510339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.510339 (E_RNA)
where:
Base-Base interactions energy: -900.941
where: short stacking energy: -429.854
Base-Backbone interact. energy: -1.557
local terms energy: -512.013103
where:
bonds (distance) C4'-P energy: -108.240
bonds (distance) P-C4' energy: -108.703
flat angles C4'-P-C4' energy: -113.503
flat angles P-C4'-P energy: -74.232
tors. eta vs tors. theta energy: -107.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1300.803268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.803268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.803268 (E_RNA)
where:
Base-Base interactions energy: -855.482
where: short stacking energy: -375.362
Base-Backbone interact. energy: 3.034
local terms energy: -448.355401
where:
bonds (distance) C4'-P energy: -94.161
bonds (distance) P-C4' energy: -94.380
flat angles C4'-P-C4' energy: -96.036
flat angles P-C4'-P energy: -67.306
tors. eta vs tors. theta energy: -96.472
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: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1169.972749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.972749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.972749 (E_RNA)
where:
Base-Base interactions energy: -724.617
where: short stacking energy: -345.510
Base-Backbone interact. energy: -2.382
local terms energy: -442.973682
where:
bonds (distance) C4'-P energy: -100.315
bonds (distance) P-C4' energy: -114.501
flat angles C4'-P-C4' energy: -91.183
flat angles P-C4'-P energy: -67.151
tors. eta vs tors. theta energy: -69.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -947.896919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.896919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.896919 (E_RNA)
where:
Base-Base interactions energy: -561.796
where: short stacking energy: -303.582
Base-Backbone interact. energy: -0.733
local terms energy: -385.367957
where:
bonds (distance) C4'-P energy: -87.984
bonds (distance) P-C4' energy: -84.556
flat angles C4'-P-C4' energy: -108.481
flat angles P-C4'-P energy: -61.345
tors. eta vs tors. theta energy: -43.002
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: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -616.229112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.229112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.229112 (E_RNA)
where:
Base-Base interactions energy: -271.792
where: short stacking energy: -152.587
Base-Backbone interact. energy: 0.965
local terms energy: -345.401658
where:
bonds (distance) C4'-P energy: -93.832
bonds (distance) P-C4' energy: -108.525
flat angles C4'-P-C4' energy: -90.440
flat angles P-C4'-P energy: -55.055
tors. eta vs tors. theta energy: 2.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -453.129832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.129832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.129832 (E_RNA)
where:
Base-Base interactions energy: -155.101
where: short stacking energy: -119.818
Base-Backbone interact. energy: -2.435
local terms energy: -295.593339
where:
bonds (distance) C4'-P energy: -73.889
bonds (distance) P-C4' energy: -106.321
flat angles C4'-P-C4' energy: -75.712
flat angles P-C4'-P energy: -55.630
tors. eta vs tors. theta energy: 15.959
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: 138
Temperature: 0.900000
Total energy: -1996.516055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.516055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.516055 (E_RNA)
where:
Base-Base interactions energy: -1387.742
where: short stacking energy: -553.753
Base-Backbone interact. energy: 0.188
local terms energy: -608.961804
where:
bonds (distance) C4'-P energy: -116.123
bonds (distance) P-C4' energy: -116.380
flat angles C4'-P-C4' energy: -129.346
flat angles P-C4'-P energy: -93.347
tors. eta vs tors. theta energy: -153.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1888.041172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.041172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.041172 (E_RNA)
where:
Base-Base interactions energy: -1295.646
where: short stacking energy: -569.704
Base-Backbone interact. energy: -2.422
local terms energy: -589.972520
where:
bonds (distance) C4'-P energy: -108.435
bonds (distance) P-C4' energy: -113.163
flat angles C4'-P-C4' energy: -130.891
flat angles P-C4'-P energy: -75.024
tors. eta vs tors. theta energy: -162.460
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: 9
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1890.434467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.434467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.434467 (E_RNA)
where:
Base-Base interactions energy: -1284.014
where: short stacking energy: -565.619
Base-Backbone interact. energy: -1.309
local terms energy: -605.112150
where:
bonds (distance) C4'-P energy: -107.890
bonds (distance) P-C4' energy: -114.931
flat angles C4'-P-C4' energy: -125.593
flat angles P-C4'-P energy: -89.916
tors. eta vs tors. theta energy: -166.781
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: 6
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1596.529434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.529434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.529434 (E_RNA)
where:
Base-Base interactions energy: -1065.731
where: short stacking energy: -464.446
Base-Backbone interact. energy: -0.631
local terms energy: -530.167849
where:
bonds (distance) C4'-P energy: -98.724
bonds (distance) P-C4' energy: -109.692
flat angles C4'-P-C4' energy: -112.412
flat angles P-C4'-P energy: -86.223
tors. eta vs tors. theta energy: -123.117
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: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1451.181376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.181376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.181376 (E_RNA)
where:
Base-Base interactions energy: -901.309
where: short stacking energy: -416.527
Base-Backbone interact. energy: -1.696
local terms energy: -548.176707
where:
bonds (distance) C4'-P energy: -116.133
bonds (distance) P-C4' energy: -112.666
flat angles C4'-P-C4' energy: -115.277
flat angles P-C4'-P energy: -80.415
tors. eta vs tors. theta energy: -123.686
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: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1307.870881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.870881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.870881 (E_RNA)
where:
Base-Base interactions energy: -837.355
where: short stacking energy: -389.713
Base-Backbone interact. energy: -0.640
local terms energy: -469.875995
where:
bonds (distance) C4'-P energy: -104.499
bonds (distance) P-C4' energy: -110.765
flat angles C4'-P-C4' energy: -102.258
flat angles P-C4'-P energy: -65.148
tors. eta vs tors. theta energy: -87.206
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: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1180.267276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.267276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.267276 (E_RNA)
where:
Base-Base interactions energy: -757.167
where: short stacking energy: -352.254
Base-Backbone interact. energy: 0.558
local terms energy: -423.658407
where:
bonds (distance) C4'-P energy: -92.632
bonds (distance) P-C4' energy: -81.162
flat angles C4'-P-C4' energy: -117.352
flat angles P-C4'-P energy: -60.472
tors. eta vs tors. theta energy: -72.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -907.021182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.021182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.021182 (E_RNA)
where:
Base-Base interactions energy: -498.323
where: short stacking energy: -258.429
Base-Backbone interact. energy: -2.065
local terms energy: -406.633397
where:
bonds (distance) C4'-P energy: -111.393
bonds (distance) P-C4' energy: -92.343
flat angles C4'-P-C4' energy: -106.818
flat angles P-C4'-P energy: -49.164
tors. eta vs tors. theta energy: -46.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -625.988400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.988400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.988400 (E_RNA)
where:
Base-Base interactions energy: -292.707
where: short stacking energy: -183.742
Base-Backbone interact. energy: 0.912
local terms energy: -334.193100
where:
bonds (distance) C4'-P energy: -81.933
bonds (distance) P-C4' energy: -107.053
flat angles C4'-P-C4' energy: -92.927
flat angles P-C4'-P energy: -53.610
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: 10, replica: 4
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -462.585365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.585365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.585365 (E_RNA)
where:
Base-Base interactions energy: -171.777
where: short stacking energy: -133.277
Base-Backbone interact. energy: 0.335
local terms energy: -291.143398
where:
bonds (distance) C4'-P energy: -73.054
bonds (distance) P-C4' energy: -106.502
flat angles C4'-P-C4' energy: -74.880
flat angles P-C4'-P energy: -54.164
tors. eta vs tors. theta energy: 17.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -2049.248410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.248410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.248410 (E_RNA)
where:
Base-Base interactions energy: -1447.556
where: short stacking energy: -597.656
Base-Backbone interact. energy: -1.032
local terms energy: -600.660203
where:
bonds (distance) C4'-P energy: -117.936
bonds (distance) P-C4' energy: -110.647
flat angles C4'-P-C4' energy: -126.249
flat angles P-C4'-P energy: -82.973
tors. eta vs tors. theta energy: -162.856
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: 8
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1891.919019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.919019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.919019 (E_RNA)
where:
Base-Base interactions energy: -1294.864
where: short stacking energy: -557.032
Base-Backbone interact. energy: -2.392
local terms energy: -594.662873
where:
bonds (distance) C4'-P energy: -115.155
bonds (distance) P-C4' energy: -117.772
flat angles C4'-P-C4' energy: -123.430
flat angles P-C4'-P energy: -76.124
tors. eta vs tors. theta energy: -162.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1876.525319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.525319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.525319 (E_RNA)
where:
Base-Base interactions energy: -1291.005
where: short stacking energy: -565.661
Base-Backbone interact. energy: -3.114
local terms energy: -582.406524
where:
bonds (distance) C4'-P energy: -100.478
bonds (distance) P-C4' energy: -112.843
flat angles C4'-P-C4' energy: -131.581
flat angles P-C4'-P energy: -78.968
tors. eta vs tors. theta energy: -158.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1592.642776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.642776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.642776 (E_RNA)
where:
Base-Base interactions energy: -1053.518
where: short stacking energy: -461.718
Base-Backbone interact. energy: -2.871
local terms energy: -536.253874
where:
bonds (distance) C4'-P energy: -101.585
bonds (distance) P-C4' energy: -109.196
flat angles C4'-P-C4' energy: -114.348
flat angles P-C4'-P energy: -81.369
tors. eta vs tors. theta energy: -129.757
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: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1468.152975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.152975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.152975 (E_RNA)
where:
Base-Base interactions energy: -966.843
where: short stacking energy: -434.309
Base-Backbone interact. energy: -1.408
local terms energy: -499.901429
where:
bonds (distance) C4'-P energy: -97.637
bonds (distance) P-C4' energy: -111.862
flat angles C4'-P-C4' energy: -112.772
flat angles P-C4'-P energy: -65.523
tors. eta vs tors. theta energy: -112.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1301.098841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.098841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.098841 (E_RNA)
where:
Base-Base interactions energy: -829.606
where: short stacking energy: -359.656
Base-Backbone interact. energy: -0.336
local terms energy: -471.156898
where:
bonds (distance) C4'-P energy: -94.733
bonds (distance) P-C4' energy: -109.322
flat angles C4'-P-C4' energy: -116.995
flat angles P-C4'-P energy: -51.870
tors. eta vs tors. theta energy: -98.237
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: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1190.259883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.259883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.259883 (E_RNA)
where:
Base-Base interactions energy: -758.734
where: short stacking energy: -349.689
Base-Backbone interact. energy: 0.888
local terms energy: -432.413775
where:
bonds (distance) C4'-P energy: -102.551
bonds (distance) P-C4' energy: -96.355
flat angles C4'-P-C4' energy: -92.059
flat angles P-C4'-P energy: -73.479
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: 8, replica: 5
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -973.342926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.342926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.342926 (E_RNA)
where:
Base-Base interactions energy: -564.369
where: short stacking energy: -269.181
Base-Backbone interact. energy: -1.223
local terms energy: -407.751030
where:
bonds (distance) C4'-P energy: -100.523
bonds (distance) P-C4' energy: -105.842
flat angles C4'-P-C4' energy: -94.632
flat angles P-C4'-P energy: -68.777
tors. eta vs tors. theta energy: -37.976
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: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -618.840908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.840908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.840908 (E_RNA)
where:
Base-Base interactions energy: -290.940
where: short stacking energy: -178.813
Base-Backbone interact. energy: 1.846
local terms energy: -329.747204
where:
bonds (distance) C4'-P energy: -89.848
bonds (distance) P-C4' energy: -109.140
flat angles C4'-P-C4' energy: -102.215
flat angles P-C4'-P energy: -47.384
tors. eta vs tors. theta energy: 18.840
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: 4
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -486.482890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.482890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.482890 (E_RNA)
where:
Base-Base interactions energy: -220.155
where: short stacking energy: -149.233
Base-Backbone interact. energy: 3.421
local terms energy: -269.749072
where:
bonds (distance) C4'-P energy: -90.368
bonds (distance) P-C4' energy: -102.575
flat angles C4'-P-C4' energy: -76.580
flat angles P-C4'-P energy: -31.959
tors. eta vs tors. theta energy: 31.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -2052.730896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.730896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.730896 (E_RNA)
where:
Base-Base interactions energy: -1431.027
where: short stacking energy: -579.839
Base-Backbone interact. energy: -0.126
local terms energy: -621.578091
where:
bonds (distance) C4'-P energy: -108.150
bonds (distance) P-C4' energy: -116.747
flat angles C4'-P-C4' energy: -136.494
flat angles P-C4'-P energy: -94.618
tors. eta vs tors. theta energy: -165.569
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: 8
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1909.231863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.231863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.231863 (E_RNA)
where:
Base-Base interactions energy: -1283.341
where: short stacking energy: -580.100
Base-Backbone interact. energy: -1.801
local terms energy: -624.089479
where:
bonds (distance) C4'-P energy: -114.845
bonds (distance) P-C4' energy: -116.869
flat angles C4'-P-C4' energy: -127.406
flat angles P-C4'-P energy: -83.492
tors. eta vs tors. theta energy: -181.477
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: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1899.818644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.818644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.818644 (E_RNA)
where:
Base-Base interactions energy: -1314.250
where: short stacking energy: -543.494
Base-Backbone interact. energy: -2.671
local terms energy: -582.897502
where:
bonds (distance) C4'-P energy: -126.819
bonds (distance) P-C4' energy: -107.361
flat angles C4'-P-C4' energy: -115.275
flat angles P-C4'-P energy: -76.277
tors. eta vs tors. theta energy: -157.166
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: 4, replica: 6
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1602.389827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.389827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.389827 (E_RNA)
where:
Base-Base interactions energy: -1071.516
where: short stacking energy: -492.856
Base-Backbone interact. energy: -2.307
local terms energy: -528.567293
where:
bonds (distance) C4'-P energy: -109.509
bonds (distance) P-C4' energy: -90.909
flat angles C4'-P-C4' energy: -113.306
flat angles P-C4'-P energy: -77.908
tors. eta vs tors. theta energy: -136.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1484.985068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.985068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.985068 (E_RNA)
where:
Base-Base interactions energy: -957.166
where: short stacking energy: -426.700
Base-Backbone interact. energy: -2.220
local terms energy: -525.598462
where:
bonds (distance) C4'-P energy: -112.440
bonds (distance) P-C4' energy: -105.929
flat angles C4'-P-C4' energy: -118.219
flat angles P-C4'-P energy: -69.106
tors. eta vs tors. theta energy: -119.904
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: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1267.013076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.013076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.013076 (E_RNA)
where:
Base-Base interactions energy: -802.252
where: short stacking energy: -363.059
Base-Backbone interact. energy: -3.086
local terms energy: -461.675420
where:
bonds (distance) C4'-P energy: -109.626
bonds (distance) P-C4' energy: -103.182
flat angles C4'-P-C4' energy: -100.283
flat angles P-C4'-P energy: -59.537
tors. eta vs tors. theta energy: -89.048
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: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1181.999529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.999529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.999529 (E_RNA)
where:
Base-Base interactions energy: -770.244
where: short stacking energy: -352.995
Base-Backbone interact. energy: 3.994
local terms energy: -415.749807
where:
bonds (distance) C4'-P energy: -87.865
bonds (distance) P-C4' energy: -86.903
flat angles C4'-P-C4' energy: -106.198
flat angles P-C4'-P energy: -54.747
tors. eta vs tors. theta energy: -80.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1012.102734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.102734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.102734 (E_RNA)
where:
Base-Base interactions energy: -612.161
where: short stacking energy: -313.688
Base-Backbone interact. energy: 2.553
local terms energy: -402.494526
where:
bonds (distance) C4'-P energy: -79.983
bonds (distance) P-C4' energy: -107.367
flat angles C4'-P-C4' energy: -88.667
flat angles P-C4'-P energy: -70.902
tors. eta vs tors. theta energy: -55.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -607.521119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.521119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.521119 (E_RNA)
where:
Base-Base interactions energy: -285.543
where: short stacking energy: -206.078
Base-Backbone interact. energy: 1.253
local terms energy: -323.230639
where:
bonds (distance) C4'-P energy: -80.425
bonds (distance) P-C4' energy: -96.161
flat angles C4'-P-C4' energy: -77.904
flat angles P-C4'-P energy: -63.368
tors. eta vs tors. theta energy: -5.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -463.013568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.013568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.013568 (E_RNA)
where:
Base-Base interactions energy: -180.662
where: short stacking energy: -126.378
Base-Backbone interact. energy: -1.474
local terms energy: -280.877326
where:
bonds (distance) C4'-P energy: -92.376
bonds (distance) P-C4' energy: -89.179
flat angles C4'-P-C4' energy: -77.081
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: 15.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -2038.974566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.974566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.974566 (E_RNA)
where:
Base-Base interactions energy: -1424.463
where: short stacking energy: -578.723
Base-Backbone interact. energy: -1.700
local terms energy: -612.811814
where:
bonds (distance) C4'-P energy: -116.642
bonds (distance) P-C4' energy: -117.485
flat angles C4'-P-C4' energy: -121.888
flat angles P-C4'-P energy: -94.811
tors. eta vs tors. theta energy: -161.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1885.465680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.465680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.465680 (E_RNA)
where:
Base-Base interactions energy: -1268.460
where: short stacking energy: -570.514
Base-Backbone interact. energy: -2.235
local terms energy: -614.770050
where:
bonds (distance) C4'-P energy: -109.832
bonds (distance) P-C4' energy: -122.037
flat angles C4'-P-C4' energy: -124.761
flat angles P-C4'-P energy: -86.924
tors. eta vs tors. theta energy: -171.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1864.990522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.990522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.990522 (E_RNA)
where:
Base-Base interactions energy: -1291.427
where: short stacking energy: -570.715
Base-Backbone interact. energy: 0.669
local terms energy: -574.232549
where:
bonds (distance) C4'-P energy: -99.639
bonds (distance) P-C4' energy: -103.099
flat angles C4'-P-C4' energy: -123.052
flat angles P-C4'-P energy: -84.911
tors. eta vs tors. theta energy: -163.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1561.160439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.160439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.160439 (E_RNA)
where:
Base-Base interactions energy: -1034.604
where: short stacking energy: -457.514
Base-Backbone interact. energy: -0.875
local terms energy: -525.680976
where:
bonds (distance) C4'-P energy: -98.701
bonds (distance) P-C4' energy: -126.035
flat angles C4'-P-C4' energy: -111.970
flat angles P-C4'-P energy: -56.067
tors. eta vs tors. theta energy: -132.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1523.254054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.254054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.254054 (E_RNA)
where:
Base-Base interactions energy: -997.202
where: short stacking energy: -451.266
Base-Backbone interact. energy: -0.979
local terms energy: -525.073919
where:
bonds (distance) C4'-P energy: -106.144
bonds (distance) P-C4' energy: -113.517
flat angles C4'-P-C4' energy: -121.127
flat angles P-C4'-P energy: -71.403
tors. eta vs tors. theta energy: -112.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1219.895733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.895733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.895733 (E_RNA)
where:
Base-Base interactions energy: -768.204
where: short stacking energy: -345.637
Base-Backbone interact. energy: -1.421
local terms energy: -450.270923
where:
bonds (distance) C4'-P energy: -106.343
bonds (distance) P-C4' energy: -85.985
flat angles C4'-P-C4' energy: -107.430
flat angles P-C4'-P energy: -69.437
tors. eta vs tors. theta energy: -81.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1219.031901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.031901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.031901 (E_RNA)
where:
Base-Base interactions energy: -790.138
where: short stacking energy: -366.185
Base-Backbone interact. energy: 4.071
local terms energy: -432.965752
where:
bonds (distance) C4'-P energy: -91.839
bonds (distance) P-C4' energy: -106.103
flat angles C4'-P-C4' energy: -82.937
flat angles P-C4'-P energy: -68.784
tors. eta vs tors. theta energy: -83.302
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: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1056.524672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.524672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.524672 (E_RNA)
where:
Base-Base interactions energy: -655.687
where: short stacking energy: -297.145
Base-Backbone interact. energy: 0.015
local terms energy: -400.852844
where:
bonds (distance) C4'-P energy: -89.616
bonds (distance) P-C4' energy: -104.465
flat angles C4'-P-C4' energy: -93.677
flat angles P-C4'-P energy: -67.232
tors. eta vs tors. theta energy: -45.863
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: 1
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -607.936306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.936306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.936306 (E_RNA)
where:
Base-Base interactions energy: -294.535
where: short stacking energy: -176.098
Base-Backbone interact. energy: 1.942
local terms energy: -315.343401
where:
bonds (distance) C4'-P energy: -78.523
bonds (distance) P-C4' energy: -100.890
flat angles C4'-P-C4' energy: -88.757
flat angles P-C4'-P energy: -51.416
tors. eta vs tors. theta energy: 4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -465.168499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.168499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.168499 (E_RNA)
where:
Base-Base interactions energy: -178.241
where: short stacking energy: -137.919
Base-Backbone interact. energy: -1.440
local terms energy: -285.487982
where:
bonds (distance) C4'-P energy: -96.185
bonds (distance) P-C4' energy: -94.460
flat angles C4'-P-C4' energy: -76.370
flat angles P-C4'-P energy: -46.171
tors. eta vs tors. theta energy: 27.697
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: 1, replica: 7
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -2031.221649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.221649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.221649 (E_RNA)
where:
Base-Base interactions energy: -1409.454
where: short stacking energy: -573.272
Base-Backbone interact. energy: -1.063
local terms energy: -620.704916
where:
bonds (distance) C4'-P energy: -111.497
bonds (distance) P-C4' energy: -111.598
flat angles C4'-P-C4' energy: -147.597
flat angles P-C4'-P energy: -82.783
tors. eta vs tors. theta energy: -167.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1902.846818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.846818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.846818 (E_RNA)
where:
Base-Base interactions energy: -1302.154
where: short stacking energy: -555.066
Base-Backbone interact. energy: -2.599
local terms energy: -598.093686
where:
bonds (distance) C4'-P energy: -115.689
bonds (distance) P-C4' energy: -103.233
flat angles C4'-P-C4' energy: -132.367
flat angles P-C4'-P energy: -83.346
tors. eta vs tors. theta energy: -163.459
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: 9
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1848.214323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.214323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.214323 (E_RNA)
where:
Base-Base interactions energy: -1278.669
where: short stacking energy: -524.480
Base-Backbone interact. energy: -0.026
local terms energy: -569.519531
where:
bonds (distance) C4'-P energy: -83.266
bonds (distance) P-C4' energy: -132.319
flat angles C4'-P-C4' energy: -130.811
flat angles P-C4'-P energy: -70.364
tors. eta vs tors. theta energy: -152.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1564.120328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.120328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.120328 (E_RNA)
where:
Base-Base interactions energy: -998.301
where: short stacking energy: -447.387
Base-Backbone interact. energy: -2.250
local terms energy: -563.569018
where:
bonds (distance) C4'-P energy: -108.234
bonds (distance) P-C4' energy: -113.140
flat angles C4'-P-C4' energy: -129.620
flat angles P-C4'-P energy: -80.775
tors. eta vs tors. theta energy: -131.800
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: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1508.288753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.288753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.288753 (E_RNA)
where:
Base-Base interactions energy: -1016.747
where: short stacking energy: -455.503
Base-Backbone interact. energy: 6.528
local terms energy: -498.069340
where:
bonds (distance) C4'-P energy: -90.853
bonds (distance) P-C4' energy: -109.661
flat angles C4'-P-C4' energy: -113.335
flat angles P-C4'-P energy: -57.856
tors. eta vs tors. theta energy: -126.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1206.521124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.521124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.521124 (E_RNA)
where:
Base-Base interactions energy: -758.924
where: short stacking energy: -337.588
Base-Backbone interact. energy: -2.549
local terms energy: -445.047907
where:
bonds (distance) C4'-P energy: -93.079
bonds (distance) P-C4' energy: -103.817
flat angles C4'-P-C4' energy: -98.174
flat angles P-C4'-P energy: -76.243
tors. eta vs tors. theta energy: -73.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1166.429028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.429028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.429028 (E_RNA)
where:
Base-Base interactions energy: -714.056
where: short stacking energy: -332.590
Base-Backbone interact. energy: -1.359
local terms energy: -451.013950
where:
bonds (distance) C4'-P energy: -102.852
bonds (distance) P-C4' energy: -100.165
flat angles C4'-P-C4' energy: -104.164
flat angles P-C4'-P energy: -63.875
tors. eta vs tors. theta energy: -79.958
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: 10
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1178.854910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.854910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.854910 (E_RNA)
where:
Base-Base interactions energy: -759.834
where: short stacking energy: -345.621
Base-Backbone interact. energy: -4.249
local terms energy: -414.771712
where:
bonds (distance) C4'-P energy: -91.584
bonds (distance) P-C4' energy: -111.709
flat angles C4'-P-C4' energy: -86.333
flat angles P-C4'-P energy: -58.343
tors. eta vs tors. theta energy: -66.802
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: 4
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -544.991185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.991185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.991185 (E_RNA)
where:
Base-Base interactions energy: -194.580
where: short stacking energy: -124.142
Base-Backbone interact. energy: -0.556
local terms energy: -349.855345
where:
bonds (distance) C4'-P energy: -113.597
bonds (distance) P-C4' energy: -109.266
flat angles C4'-P-C4' energy: -90.977
flat angles P-C4'-P energy: -57.086
tors. eta vs tors. theta energy: 21.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -564.775429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.775429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.775429 (E_RNA)
where:
Base-Base interactions energy: -274.542
where: short stacking energy: -168.870
Base-Backbone interact. energy: -1.249
local terms energy: -288.984758
where:
bonds (distance) C4'-P energy: -87.443
bonds (distance) P-C4' energy: -80.103
flat angles C4'-P-C4' energy: -87.584
flat angles P-C4'-P energy: -52.868
tors. eta vs tors. theta energy: 19.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -2025.241610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.241610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.241610 (E_RNA)
where:
Base-Base interactions energy: -1403.816
where: short stacking energy: -572.937
Base-Backbone interact. energy: -2.421
local terms energy: -619.005474
where:
bonds (distance) C4'-P energy: -105.370
bonds (distance) P-C4' energy: -109.926
flat angles C4'-P-C4' energy: -139.123
flat angles P-C4'-P energy: -93.153
tors. eta vs tors. theta energy: -171.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1917.585336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.585336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.585336 (E_RNA)
where:
Base-Base interactions energy: -1308.290
where: short stacking energy: -543.002
Base-Backbone interact. energy: -0.108
local terms energy: -609.187033
where:
bonds (distance) C4'-P energy: -121.850
bonds (distance) P-C4' energy: -120.474
flat angles C4'-P-C4' energy: -123.337
flat angles P-C4'-P energy: -82.750
tors. eta vs tors. theta energy: -160.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1841.391590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.391590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.391590 (E_RNA)
where:
Base-Base interactions energy: -1283.112
where: short stacking energy: -521.242
Base-Backbone interact. energy: -2.746
local terms energy: -555.533667
where:
bonds (distance) C4'-P energy: -110.599
bonds (distance) P-C4' energy: -123.538
flat angles C4'-P-C4' energy: -113.480
flat angles P-C4'-P energy: -63.245
tors. eta vs tors. theta energy: -144.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1598.426107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.426107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.426107 (E_RNA)
where:
Base-Base interactions energy: -1063.773
where: short stacking energy: -455.912
Base-Backbone interact. energy: -3.326
local terms energy: -531.327628
where:
bonds (distance) C4'-P energy: -102.140
bonds (distance) P-C4' energy: -109.473
flat angles C4'-P-C4' energy: -124.864
flat angles P-C4'-P energy: -73.128
tors. eta vs tors. theta energy: -121.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1486.228422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.228422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.228422 (E_RNA)
where:
Base-Base interactions energy: -1003.456
where: short stacking energy: -448.111
Base-Backbone interact. energy: -2.521
local terms energy: -480.252177
where:
bonds (distance) C4'-P energy: -101.742
bonds (distance) P-C4' energy: -105.839
flat angles C4'-P-C4' energy: -96.225
flat angles P-C4'-P energy: -62.522
tors. eta vs tors. theta energy: -113.925
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: 2
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1209.199318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.199318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.199318 (E_RNA)
where:
Base-Base interactions energy: -772.909
where: short stacking energy: -342.478
Base-Backbone interact. energy: -0.507
local terms energy: -435.782622
where:
bonds (distance) C4'-P energy: -78.430
bonds (distance) P-C4' energy: -107.894
flat angles C4'-P-C4' energy: -110.289
flat angles P-C4'-P energy: -52.833
tors. eta vs tors. theta energy: -86.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1179.022984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.022984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.022984 (E_RNA)
where:
Base-Base interactions energy: -751.615
where: short stacking energy: -352.592
Base-Backbone interact. energy: -2.142
local terms energy: -425.265740
where:
bonds (distance) C4'-P energy: -88.142
bonds (distance) P-C4' energy: -96.868
flat angles C4'-P-C4' energy: -108.720
flat angles P-C4'-P energy: -62.655
tors. eta vs tors. theta energy: -68.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1053.499426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.499426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.499426 (E_RNA)
where:
Base-Base interactions energy: -667.899
where: short stacking energy: -320.380
Base-Backbone interact. energy: -0.719
local terms energy: -384.881698
where:
bonds (distance) C4'-P energy: -94.415
bonds (distance) P-C4' energy: -89.147
flat angles C4'-P-C4' energy: -81.352
flat angles P-C4'-P energy: -62.550
tors. eta vs tors. theta energy: -57.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -550.619360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.619360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.619360 (E_RNA)
where:
Base-Base interactions energy: -239.186
where: short stacking energy: -149.520
Base-Backbone interact. energy: -3.934
local terms energy: -307.499374
where:
bonds (distance) C4'-P energy: -98.580
bonds (distance) P-C4' energy: -109.497
flat angles C4'-P-C4' energy: -58.904
flat angles P-C4'-P energy: -64.430
tors. eta vs tors. theta energy: 23.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -542.942162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.942162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.942162 (E_RNA)
where:
Base-Base interactions energy: -251.514
where: short stacking energy: -158.528
Base-Backbone interact. energy: -2.180
local terms energy: -289.248270
where:
bonds (distance) C4'-P energy: -89.808
bonds (distance) P-C4' energy: -90.894
flat angles C4'-P-C4' energy: -64.340
flat angles P-C4'-P energy: -55.510
tors. eta vs tors. theta energy: 11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -2051.964771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.964771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.964771 (E_RNA)
where:
Base-Base interactions energy: -1431.499
where: short stacking energy: -584.744
Base-Backbone interact. energy: -2.933
local terms energy: -617.533357
where:
bonds (distance) C4'-P energy: -116.983
bonds (distance) P-C4' energy: -119.280
flat angles C4'-P-C4' energy: -127.182
flat angles P-C4'-P energy: -77.892
tors. eta vs tors. theta energy: -176.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1921.924937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.924937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.924937 (E_RNA)
where:
Base-Base interactions energy: -1310.884
where: short stacking energy: -552.909
Base-Backbone interact. energy: -1.858
local terms energy: -609.182647
where:
bonds (distance) C4'-P energy: -98.719
bonds (distance) P-C4' energy: -122.175
flat angles C4'-P-C4' energy: -125.749
flat angles P-C4'-P energy: -97.841
tors. eta vs tors. theta energy: -164.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1827.514632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.514632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.514632 (E_RNA)
where:
Base-Base interactions energy: -1277.339
where: short stacking energy: -530.709
Base-Backbone interact. energy: -1.798
local terms energy: -548.378158
where:
bonds (distance) C4'-P energy: -110.555
bonds (distance) P-C4' energy: -105.933
flat angles C4'-P-C4' energy: -123.636
flat angles P-C4'-P energy: -62.007
tors. eta vs tors. theta energy: -146.248
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: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1649.858382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.858382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.858382 (E_RNA)
where:
Base-Base interactions energy: -1100.229
where: short stacking energy: -505.131
Base-Backbone interact. energy: 1.848
local terms energy: -551.477749
where:
bonds (distance) C4'-P energy: -100.383
bonds (distance) P-C4' energy: -119.293
flat angles C4'-P-C4' energy: -119.076
flat angles P-C4'-P energy: -72.907
tors. eta vs tors. theta energy: -139.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1459.790328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.790328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.790328 (E_RNA)
where:
Base-Base interactions energy: -975.734
where: short stacking energy: -421.556
Base-Backbone interact. energy: -2.601
local terms energy: -481.455132
where:
bonds (distance) C4'-P energy: -109.857
bonds (distance) P-C4' energy: -106.404
flat angles C4'-P-C4' energy: -95.450
flat angles P-C4'-P energy: -73.804
tors. eta vs tors. theta energy: -95.941
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: 2
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1343.454443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.454443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.454443 (E_RNA)
where:
Base-Base interactions energy: -872.744
where: short stacking energy: -387.034
Base-Backbone interact. energy: -0.489
local terms energy: -470.221289
where:
bonds (distance) C4'-P energy: -99.724
bonds (distance) P-C4' energy: -109.587
flat angles C4'-P-C4' energy: -103.831
flat angles P-C4'-P energy: -69.356
tors. eta vs tors. theta energy: -87.724
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: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1141.138386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.138386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.138386 (E_RNA)
where:
Base-Base interactions energy: -708.239
where: short stacking energy: -325.770
Base-Backbone interact. energy: -2.498
local terms energy: -430.401503
where:
bonds (distance) C4'-P energy: -89.065
bonds (distance) P-C4' energy: -119.608
flat angles C4'-P-C4' energy: -104.704
flat angles P-C4'-P energy: -56.372
tors. eta vs tors. theta energy: -60.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1065.128136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.128136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.128136 (E_RNA)
where:
Base-Base interactions energy: -671.667
where: short stacking energy: -321.389
Base-Backbone interact. energy: 0.374
local terms energy: -393.835771
where:
bonds (distance) C4'-P energy: -99.425
bonds (distance) P-C4' energy: -92.668
flat angles C4'-P-C4' energy: -110.540
flat angles P-C4'-P energy: -50.615
tors. eta vs tors. theta energy: -40.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -640.384984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.384984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.384984 (E_RNA)
where:
Base-Base interactions energy: -311.527
where: short stacking energy: -169.701
Base-Backbone interact. energy: 1.559
local terms energy: -330.416239
where:
bonds (distance) C4'-P energy: -80.238
bonds (distance) P-C4' energy: -105.874
flat angles C4'-P-C4' energy: -91.084
flat angles P-C4'-P energy: -42.143
tors. eta vs tors. theta energy: -11.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -521.551343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.551343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.551343 (E_RNA)
where:
Base-Base interactions energy: -216.562
where: short stacking energy: -159.809
Base-Backbone interact. energy: 1.892
local terms energy: -306.881602
where:
bonds (distance) C4'-P energy: -85.331
bonds (distance) P-C4' energy: -90.424
flat angles C4'-P-C4' energy: -88.512
flat angles P-C4'-P energy: -44.602
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: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -2037.808558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.808558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.808558 (E_RNA)
where:
Base-Base interactions energy: -1425.044
where: short stacking energy: -582.210
Base-Backbone interact. energy: 3.087
local terms energy: -615.851105
where:
bonds (distance) C4'-P energy: -113.684
bonds (distance) P-C4' energy: -114.446
flat angles C4'-P-C4' energy: -130.846
flat angles P-C4'-P energy: -89.946
tors. eta vs tors. theta energy: -166.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1900.169188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.169188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.169188 (E_RNA)
where:
Base-Base interactions energy: -1311.110
where: short stacking energy: -550.345
Base-Backbone interact. energy: -2.396
local terms energy: -586.663635
where:
bonds (distance) C4'-P energy: -111.528
bonds (distance) P-C4' energy: -108.715
flat angles C4'-P-C4' energy: -138.692
flat angles P-C4'-P energy: -67.851
tors. eta vs tors. theta energy: -159.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1827.498374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.498374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.498374 (E_RNA)
where:
Base-Base interactions energy: -1271.377
where: short stacking energy: -525.667
Base-Backbone interact. energy: -4.027
local terms energy: -552.094514
where:
bonds (distance) C4'-P energy: -102.121
bonds (distance) P-C4' energy: -105.180
flat angles C4'-P-C4' energy: -125.170
flat angles P-C4'-P energy: -63.481
tors. eta vs tors. theta energy: -156.143
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: 6
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1637.498558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.498558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.498558 (E_RNA)
where:
Base-Base interactions energy: -1100.939
where: short stacking energy: -477.291
Base-Backbone interact. energy: -0.608
local terms energy: -535.951624
where:
bonds (distance) C4'-P energy: -109.970
bonds (distance) P-C4' energy: -113.047
flat angles C4'-P-C4' energy: -119.979
flat angles P-C4'-P energy: -67.217
tors. eta vs tors. theta energy: -125.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1490.065305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.065305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.065305 (E_RNA)
where:
Base-Base interactions energy: -986.246
where: short stacking energy: -449.489
Base-Backbone interact. energy: -1.966
local terms energy: -501.852828
where:
bonds (distance) C4'-P energy: -87.125
bonds (distance) P-C4' energy: -102.968
flat angles C4'-P-C4' energy: -125.430
flat angles P-C4'-P energy: -73.167
tors. eta vs tors. theta energy: -113.163
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: 2
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1294.439148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.439148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.439148 (E_RNA)
where:
Base-Base interactions energy: -861.878
where: short stacking energy: -372.269
Base-Backbone interact. energy: -3.419
local terms energy: -429.142180
where:
bonds (distance) C4'-P energy: -91.027
bonds (distance) P-C4' energy: -99.787
flat angles C4'-P-C4' energy: -108.193
flat angles P-C4'-P energy: -50.693
tors. eta vs tors. theta energy: -79.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1221.971765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.971765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.971765 (E_RNA)
where:
Base-Base interactions energy: -791.231
where: short stacking energy: -336.220
Base-Backbone interact. energy: -3.577
local terms energy: -427.163780
where:
bonds (distance) C4'-P energy: -81.930
bonds (distance) P-C4' energy: -105.984
flat angles C4'-P-C4' energy: -95.089
flat angles P-C4'-P energy: -64.582
tors. eta vs tors. theta energy: -79.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1060.689448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.689448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.689448 (E_RNA)
where:
Base-Base interactions energy: -654.727
where: short stacking energy: -323.681
Base-Backbone interact. energy: 0.912
local terms energy: -406.873553
where:
bonds (distance) C4'-P energy: -100.995
bonds (distance) P-C4' energy: -98.698
flat angles C4'-P-C4' energy: -97.576
flat angles P-C4'-P energy: -52.783
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: 9, replica: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -698.981914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.981914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.981914 (E_RNA)
where:
Base-Base interactions energy: -401.064
where: short stacking energy: -194.584
Base-Backbone interact. energy: -1.884
local terms energy: -296.034480
where:
bonds (distance) C4'-P energy: -86.367
bonds (distance) P-C4' energy: -90.517
flat angles C4'-P-C4' energy: -68.202
flat angles P-C4'-P energy: -44.315
tors. eta vs tors. theta energy: -6.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -530.202398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.202398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.202398 (E_RNA)
where:
Base-Base interactions energy: -214.080
where: short stacking energy: -141.034
Base-Backbone interact. energy: 0.133
local terms energy: -316.255588
where:
bonds (distance) C4'-P energy: -95.989
bonds (distance) P-C4' energy: -109.724
flat angles C4'-P-C4' energy: -85.341
flat angles P-C4'-P energy: -47.279
tors. eta vs tors. theta energy: 22.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -2043.396575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.396575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.396575 (E_RNA)
where:
Base-Base interactions energy: -1443.807
where: short stacking energy: -591.006
Base-Backbone interact. energy: -1.629
local terms energy: -597.960230
where:
bonds (distance) C4'-P energy: -110.123
bonds (distance) P-C4' energy: -119.003
flat angles C4'-P-C4' energy: -134.941
flat angles P-C4'-P energy: -75.641
tors. eta vs tors. theta energy: -158.251
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: 8
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1915.390369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.390369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.390369 (E_RNA)
where:
Base-Base interactions energy: -1288.148
where: short stacking energy: -580.460
Base-Backbone interact. energy: -0.453
local terms energy: -626.788568
where:
bonds (distance) C4'-P energy: -113.101
bonds (distance) P-C4' energy: -129.365
flat angles C4'-P-C4' energy: -132.640
flat angles P-C4'-P energy: -82.121
tors. eta vs tors. theta energy: -169.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1831.456778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.456778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.456778 (E_RNA)
where:
Base-Base interactions energy: -1252.191
where: short stacking energy: -528.559
Base-Backbone interact. energy: -1.555
local terms energy: -577.710518
where:
bonds (distance) C4'-P energy: -101.510
bonds (distance) P-C4' energy: -102.677
flat angles C4'-P-C4' energy: -134.003
flat angles P-C4'-P energy: -88.134
tors. eta vs tors. theta energy: -151.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1576.808536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.808536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.808536 (E_RNA)
where:
Base-Base interactions energy: -1027.279
where: short stacking energy: -459.188
Base-Backbone interact. energy: -1.829
local terms energy: -547.700933
where:
bonds (distance) C4'-P energy: -100.178
bonds (distance) P-C4' energy: -111.431
flat angles C4'-P-C4' energy: -129.564
flat angles P-C4'-P energy: -76.290
tors. eta vs tors. theta energy: -130.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1505.479823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.479823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.479823 (E_RNA)
where:
Base-Base interactions energy: -1002.827
where: short stacking energy: -427.340
Base-Backbone interact. energy: -2.793
local terms energy: -499.859987
where:
bonds (distance) C4'-P energy: -103.141
bonds (distance) P-C4' energy: -111.356
flat angles C4'-P-C4' energy: -119.553
flat angles P-C4'-P energy: -58.120
tors. eta vs tors. theta energy: -107.690
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: 2
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1288.271185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.271185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.271185 (E_RNA)
where:
Base-Base interactions energy: -861.163
where: short stacking energy: -373.556
Base-Backbone interact. energy: 1.634
local terms energy: -428.741820
where:
bonds (distance) C4'-P energy: -91.576
bonds (distance) P-C4' energy: -89.912
flat angles C4'-P-C4' energy: -88.256
flat angles P-C4'-P energy: -79.887
tors. eta vs tors. theta energy: -79.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1253.747221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.747221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.747221 (E_RNA)
where:
Base-Base interactions energy: -784.288
where: short stacking energy: -367.394
Base-Backbone interact. energy: -0.588
local terms energy: -468.871074
where:
bonds (distance) C4'-P energy: -106.055
bonds (distance) P-C4' energy: -98.122
flat angles C4'-P-C4' energy: -110.176
flat angles P-C4'-P energy: -60.548
tors. eta vs tors. theta energy: -93.970
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: 10
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -983.377281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.377281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.377281 (E_RNA)
where:
Base-Base interactions energy: -597.166
where: short stacking energy: -275.424
Base-Backbone interact. energy: -3.663
local terms energy: -382.548142
where:
bonds (distance) C4'-P energy: -96.934
bonds (distance) P-C4' energy: -81.213
flat angles C4'-P-C4' energy: -93.054
flat angles P-C4'-P energy: -66.962
tors. eta vs tors. theta energy: -44.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -710.180593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.180593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.180593 (E_RNA)
where:
Base-Base interactions energy: -370.337
where: short stacking energy: -187.415
Base-Backbone interact. energy: 5.586
local terms energy: -345.429184
where:
bonds (distance) C4'-P energy: -104.773
bonds (distance) P-C4' energy: -103.066
flat angles C4'-P-C4' energy: -72.228
flat angles P-C4'-P energy: -48.879
tors. eta vs tors. theta energy: -16.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -551.853547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.853547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.853547 (E_RNA)
where:
Base-Base interactions energy: -233.767
where: short stacking energy: -142.378
Base-Backbone interact. energy: -1.528
local terms energy: -316.558856
where:
bonds (distance) C4'-P energy: -98.501
bonds (distance) P-C4' energy: -99.846
flat angles C4'-P-C4' energy: -86.632
flat angles P-C4'-P energy: -52.026
tors. eta vs tors. theta energy: 20.446
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: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -2031.647198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.647198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.647198 (E_RNA)
where:
Base-Base interactions energy: -1423.099
where: short stacking energy: -601.467
Base-Backbone interact. energy: -1.720
local terms energy: -606.828544
where:
bonds (distance) C4'-P energy: -117.217
bonds (distance) P-C4' energy: -113.410
flat angles C4'-P-C4' energy: -133.910
flat angles P-C4'-P energy: -78.883
tors. eta vs tors. theta energy: -163.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1883.443142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.443142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.443142 (E_RNA)
where:
Base-Base interactions energy: -1267.623
where: short stacking energy: -573.294
Base-Backbone interact. energy: -2.103
local terms energy: -613.716959
where:
bonds (distance) C4'-P energy: -114.406
bonds (distance) P-C4' energy: -120.611
flat angles C4'-P-C4' energy: -130.199
flat angles P-C4'-P energy: -83.924
tors. eta vs tors. theta energy: -164.577
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: 3, replica: 9
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1814.649007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.649007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.649007 (E_RNA)
where:
Base-Base interactions energy: -1232.786
where: short stacking energy: -543.583
Base-Backbone interact. energy: 1.809
local terms energy: -583.672677
where:
bonds (distance) C4'-P energy: -114.062
bonds (distance) P-C4' energy: -114.549
flat angles C4'-P-C4' energy: -120.003
flat angles P-C4'-P energy: -89.164
tors. eta vs tors. theta energy: -145.896
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: 6
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1638.732494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.732494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.732494 (E_RNA)
where:
Base-Base interactions energy: -1080.923
where: short stacking energy: -474.187
Base-Backbone interact. energy: -4.010
local terms energy: -553.799771
where:
bonds (distance) C4'-P energy: -115.076
bonds (distance) P-C4' energy: -114.342
flat angles C4'-P-C4' energy: -119.164
flat angles P-C4'-P energy: -68.541
tors. eta vs tors. theta energy: -136.676
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: 147
Temperature: 1.100000
Total energy: -1490.542069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.542069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.542069 (E_RNA)
where:
Base-Base interactions energy: -991.511
where: short stacking energy: -436.941
Base-Backbone interact. energy: 1.282
local terms energy: -500.313002
where:
bonds (distance) C4'-P energy: -104.093
bonds (distance) P-C4' energy: -106.302
flat angles C4'-P-C4' energy: -101.155
flat angles P-C4'-P energy: -80.837
tors. eta vs tors. theta energy: -107.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1306.798168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.798168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.798168 (E_RNA)
where:
Base-Base interactions energy: -832.461
where: short stacking energy: -372.628
Base-Backbone interact. energy: -6.015
local terms energy: -468.321824
where:
bonds (distance) C4'-P energy: -101.913
bonds (distance) P-C4' energy: -104.709
flat angles C4'-P-C4' energy: -112.293
flat angles P-C4'-P energy: -53.800
tors. eta vs tors. theta energy: -95.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1273.068182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.068182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.068182 (E_RNA)
where:
Base-Base interactions energy: -794.956
where: short stacking energy: -358.477
Base-Backbone interact. energy: -0.503
local terms energy: -477.608713
where:
bonds (distance) C4'-P energy: -106.792
bonds (distance) P-C4' energy: -111.559
flat angles C4'-P-C4' energy: -108.577
flat angles P-C4'-P energy: -61.769
tors. eta vs tors. theta energy: -88.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1023.800232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.800232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.800232 (E_RNA)
where:
Base-Base interactions energy: -619.489
where: short stacking energy: -299.782
Base-Backbone interact. energy: -3.482
local terms energy: -400.829034
where:
bonds (distance) C4'-P energy: -115.157
bonds (distance) P-C4' energy: -88.443
flat angles C4'-P-C4' energy: -97.670
flat angles P-C4'-P energy: -50.171
tors. eta vs tors. theta energy: -49.387
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: 9, replica: 4
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -623.966829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.966829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.966829 (E_RNA)
where:
Base-Base interactions energy: -285.093
where: short stacking energy: -167.446
Base-Backbone interact. energy: 2.321
local terms energy: -341.194778
where:
bonds (distance) C4'-P energy: -87.809
bonds (distance) P-C4' energy: -110.861
flat angles C4'-P-C4' energy: -82.595
flat angles P-C4'-P energy: -65.096
tors. eta vs tors. theta energy: 5.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -553.474487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.474487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.474487 (E_RNA)
where:
Base-Base interactions energy: -269.267
where: short stacking energy: -164.344
Base-Backbone interact. energy: 1.898
local terms energy: -286.105084
where:
bonds (distance) C4'-P energy: -85.278
bonds (distance) P-C4' energy: -102.021
flat angles C4'-P-C4' energy: -64.110
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: 4.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -2023.849470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.849470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.849470 (E_RNA)
where:
Base-Base interactions energy: -1413.917
where: short stacking energy: -579.105
Base-Backbone interact. energy: 3.372
local terms energy: -613.304062
where:
bonds (distance) C4'-P energy: -122.266
bonds (distance) P-C4' energy: -126.726
flat angles C4'-P-C4' energy: -116.575
flat angles P-C4'-P energy: -77.990
tors. eta vs tors. theta energy: -169.746
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: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1856.358041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.358041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.358041 (E_RNA)
where:
Base-Base interactions energy: -1258.959
where: short stacking energy: -538.877
Base-Backbone interact. energy: -3.562
local terms energy: -593.837836
where:
bonds (distance) C4'-P energy: -117.252
bonds (distance) P-C4' energy: -124.592
flat angles C4'-P-C4' energy: -129.609
flat angles P-C4'-P energy: -65.940
tors. eta vs tors. theta energy: -156.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1813.619240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.619240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.619240 (E_RNA)
where:
Base-Base interactions energy: -1245.617
where: short stacking energy: -541.128
Base-Backbone interact. energy: 0.756
local terms energy: -568.758190
where:
bonds (distance) C4'-P energy: -105.869
bonds (distance) P-C4' energy: -103.385
flat angles C4'-P-C4' energy: -132.498
flat angles P-C4'-P energy: -81.686
tors. eta vs tors. theta energy: -145.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1611.351953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.351953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.351953 (E_RNA)
where:
Base-Base interactions energy: -1089.044
where: short stacking energy: -493.399
Base-Backbone interact. energy: -0.678
local terms energy: -521.630345
where:
bonds (distance) C4'-P energy: -106.262
bonds (distance) P-C4' energy: -102.087
flat angles C4'-P-C4' energy: -108.072
flat angles P-C4'-P energy: -80.418
tors. eta vs tors. theta energy: -124.791
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: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1521.672205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.672205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.672205 (E_RNA)
where:
Base-Base interactions energy: -1012.702
where: short stacking energy: -436.625
Base-Backbone interact. energy: 0.406
local terms energy: -509.376572
where:
bonds (distance) C4'-P energy: -94.713
bonds (distance) P-C4' energy: -103.961
flat angles C4'-P-C4' energy: -114.525
flat angles P-C4'-P energy: -72.901
tors. eta vs tors. theta energy: -123.276
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: 2
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1223.993020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.993020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.993020 (E_RNA)
where:
Base-Base interactions energy: -733.213
where: short stacking energy: -349.852
Base-Backbone interact. energy: -1.264
local terms energy: -489.516047
where:
bonds (distance) C4'-P energy: -111.093
bonds (distance) P-C4' energy: -103.249
flat angles C4'-P-C4' energy: -126.519
flat angles P-C4'-P energy: -67.657
tors. eta vs tors. theta energy: -80.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1285.560148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.560148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.560148 (E_RNA)
where:
Base-Base interactions energy: -829.026
where: short stacking energy: -377.049
Base-Backbone interact. energy: -1.444
local terms energy: -455.090369
where:
bonds (distance) C4'-P energy: -91.337
bonds (distance) P-C4' energy: -103.309
flat angles C4'-P-C4' energy: -94.843
flat angles P-C4'-P energy: -71.219
tors. eta vs tors. theta energy: -94.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1015.889148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.889148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.889148 (E_RNA)
where:
Base-Base interactions energy: -626.574
where: short stacking energy: -278.967
Base-Backbone interact. energy: 0.634
local terms energy: -389.949377
where:
bonds (distance) C4'-P energy: -98.408
bonds (distance) P-C4' energy: -108.017
flat angles C4'-P-C4' energy: -84.045
flat angles P-C4'-P energy: -55.841
tors. eta vs tors. theta energy: -43.639
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: 9, replica: 4
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -692.919047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.919047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.919047 (E_RNA)
where:
Base-Base interactions energy: -336.321
where: short stacking energy: -186.725
Base-Backbone interact. energy: 0.919
local terms energy: -357.517154
where:
bonds (distance) C4'-P energy: -108.239
bonds (distance) P-C4' energy: -102.170
flat angles C4'-P-C4' energy: -83.547
flat angles P-C4'-P energy: -60.938
tors. eta vs tors. theta energy: -2.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -557.639768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.639768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.639768 (E_RNA)
where:
Base-Base interactions energy: -235.685
where: short stacking energy: -142.751
Base-Backbone interact. energy: 10.018
local terms energy: -331.972429
where:
bonds (distance) C4'-P energy: -105.435
bonds (distance) P-C4' energy: -105.808
flat angles C4'-P-C4' energy: -85.996
flat angles P-C4'-P energy: -45.697
tors. eta vs tors. theta energy: 10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -2030.321062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.321062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.321062 (E_RNA)
where:
Base-Base interactions energy: -1406.522
where: short stacking energy: -601.870
Base-Backbone interact. energy: -1.275
local terms energy: -622.524047
where:
bonds (distance) C4'-P energy: -123.376
bonds (distance) P-C4' energy: -117.599
flat angles C4'-P-C4' energy: -127.637
flat angles P-C4'-P energy: -85.974
tors. eta vs tors. theta energy: -167.938
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: 8
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1905.441885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.441885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.441885 (E_RNA)
where:
Base-Base interactions energy: -1293.099
where: short stacking energy: -578.810
Base-Backbone interact. energy: -1.716
local terms energy: -610.627579
where:
bonds (distance) C4'-P energy: -108.479
bonds (distance) P-C4' energy: -108.792
flat angles C4'-P-C4' energy: -129.735
flat angles P-C4'-P energy: -93.546
tors. eta vs tors. theta energy: -170.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1815.261827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.261827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.261827 (E_RNA)
where:
Base-Base interactions energy: -1235.252
where: short stacking energy: -510.206
Base-Backbone interact. energy: -3.869
local terms energy: -576.141780
where:
bonds (distance) C4'-P energy: -117.088
bonds (distance) P-C4' energy: -116.806
flat angles C4'-P-C4' energy: -123.412
flat angles P-C4'-P energy: -73.525
tors. eta vs tors. theta energy: -145.309
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: 6
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1585.411140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.411140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.411140 (E_RNA)
where:
Base-Base interactions energy: -1054.545
where: short stacking energy: -452.152
Base-Backbone interact. energy: -1.687
local terms energy: -529.179227
where:
bonds (distance) C4'-P energy: -123.075
bonds (distance) P-C4' energy: -116.174
flat angles C4'-P-C4' energy: -118.759
flat angles P-C4'-P energy: -53.861
tors. eta vs tors. theta energy: -117.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1492.286490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.286490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.286490 (E_RNA)
where:
Base-Base interactions energy: -992.677
where: short stacking energy: -429.858
Base-Backbone interact. energy: -1.040
local terms energy: -498.568974
where:
bonds (distance) C4'-P energy: -84.597
bonds (distance) P-C4' energy: -118.379
flat angles C4'-P-C4' energy: -104.926
flat angles P-C4'-P energy: -76.464
tors. eta vs tors. theta energy: -114.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1335.613134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.613134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.613134 (E_RNA)
where:
Base-Base interactions energy: -813.282
where: short stacking energy: -368.527
Base-Backbone interact. energy: -0.533
local terms energy: -521.798072
where:
bonds (distance) C4'-P energy: -101.800
bonds (distance) P-C4' energy: -106.230
flat angles C4'-P-C4' energy: -121.181
flat angles P-C4'-P energy: -85.269
tors. eta vs tors. theta energy: -107.319
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: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1174.532471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.532471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.532471 (E_RNA)
where:
Base-Base interactions energy: -769.281
where: short stacking energy: -347.119
Base-Backbone interact. energy: 5.953
local terms energy: -411.204091
where:
bonds (distance) C4'-P energy: -107.519
bonds (distance) P-C4' energy: -97.146
flat angles C4'-P-C4' energy: -106.755
flat angles P-C4'-P energy: -48.691
tors. eta vs tors. theta energy: -51.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1019.378407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.378407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.378407 (E_RNA)
where:
Base-Base interactions energy: -611.125
where: short stacking energy: -282.906
Base-Backbone interact. energy: 2.951
local terms energy: -411.204671
where:
bonds (distance) C4'-P energy: -90.591
bonds (distance) P-C4' energy: -108.483
flat angles C4'-P-C4' energy: -96.880
flat angles P-C4'-P energy: -76.600
tors. eta vs tors. theta energy: -38.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -706.980650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.980650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.980650 (E_RNA)
where:
Base-Base interactions energy: -403.722
where: short stacking energy: -217.027
Base-Backbone interact. energy: -1.833
local terms energy: -301.425740
where:
bonds (distance) C4'-P energy: -89.380
bonds (distance) P-C4' energy: -87.146
flat angles C4'-P-C4' energy: -64.293
flat angles P-C4'-P energy: -58.664
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -566.379730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.379730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.379730 (E_RNA)
where:
Base-Base interactions energy: -270.487
where: short stacking energy: -179.476
Base-Backbone interact. energy: -0.150
local terms energy: -295.742928
where:
bonds (distance) C4'-P energy: -98.543
bonds (distance) P-C4' energy: -100.607
flat angles C4'-P-C4' energy: -59.859
flat angles P-C4'-P energy: -34.418
tors. eta vs tors. theta energy: -2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -2049.101245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.101245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.101245 (E_RNA)
where:
Base-Base interactions energy: -1423.374
where: short stacking energy: -584.164
Base-Backbone interact. energy: -1.425
local terms energy: -624.302122
where:
bonds (distance) C4'-P energy: -118.877
bonds (distance) P-C4' energy: -118.493
flat angles C4'-P-C4' energy: -133.601
flat angles P-C4'-P energy: -89.453
tors. eta vs tors. theta energy: -163.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1917.499097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.499097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.499097 (E_RNA)
where:
Base-Base interactions energy: -1321.689
where: short stacking energy: -574.531
Base-Backbone interact. energy: -2.193
local terms energy: -593.617595
where:
bonds (distance) C4'-P energy: -100.738
bonds (distance) P-C4' energy: -113.227
flat angles C4'-P-C4' energy: -130.560
flat angles P-C4'-P energy: -80.267
tors. eta vs tors. theta energy: -168.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1824.071981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.071981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.071981 (E_RNA)
where:
Base-Base interactions energy: -1259.969
where: short stacking energy: -531.378
Base-Backbone interact. energy: -4.407
local terms energy: -559.696220
where:
bonds (distance) C4'-P energy: -104.879
bonds (distance) P-C4' energy: -105.148
flat angles C4'-P-C4' energy: -122.850
flat angles P-C4'-P energy: -78.937
tors. eta vs tors. theta energy: -147.883
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: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1588.135109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.135109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.135109 (E_RNA)
where:
Base-Base interactions energy: -1051.223
where: short stacking energy: -441.144
Base-Backbone interact. energy: 1.049
local terms energy: -537.961569
where:
bonds (distance) C4'-P energy: -95.444
bonds (distance) P-C4' energy: -107.387
flat angles C4'-P-C4' energy: -122.950
flat angles P-C4'-P energy: -83.314
tors. eta vs tors. theta energy: -128.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1522.581815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.581815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.581815 (E_RNA)
where:
Base-Base interactions energy: -1011.115
where: short stacking energy: -430.448
Base-Backbone interact. energy: -2.851
local terms energy: -508.616207
where:
bonds (distance) C4'-P energy: -101.324
bonds (distance) P-C4' energy: -115.604
flat angles C4'-P-C4' energy: -108.748
flat angles P-C4'-P energy: -67.917
tors. eta vs tors. theta energy: -115.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1345.937331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.937331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.937331 (E_RNA)
where:
Base-Base interactions energy: -886.037
where: short stacking energy: -396.477
Base-Backbone interact. energy: -4.460
local terms energy: -455.440244
where:
bonds (distance) C4'-P energy: -90.390
bonds (distance) P-C4' energy: -112.210
flat angles C4'-P-C4' energy: -93.468
flat angles P-C4'-P energy: -66.212
tors. eta vs tors. theta energy: -93.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1143.541537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.541537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.541537 (E_RNA)
where:
Base-Base interactions energy: -745.933
where: short stacking energy: -316.500
Base-Backbone interact. energy: -2.299
local terms energy: -395.309584
where:
bonds (distance) C4'-P energy: -77.702
bonds (distance) P-C4' energy: -86.275
flat angles C4'-P-C4' energy: -101.235
flat angles P-C4'-P energy: -63.906
tors. eta vs tors. theta energy: -66.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1059.261650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.261650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.261650 (E_RNA)
where:
Base-Base interactions energy: -654.203
where: short stacking energy: -309.258
Base-Backbone interact. energy: -0.977
local terms energy: -404.081850
where:
bonds (distance) C4'-P energy: -85.733
bonds (distance) P-C4' energy: -106.494
flat angles C4'-P-C4' energy: -100.103
flat angles P-C4'-P energy: -51.246
tors. eta vs tors. theta energy: -60.506
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: 150
Temperature: 1.300000
Total energy: -662.919809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.919809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.919809 (E_RNA)
where:
Base-Base interactions energy: -321.741
where: short stacking energy: -189.221
Base-Backbone interact. energy: 3.052
local terms energy: -344.229847
where:
bonds (distance) C4'-P energy: -95.776
bonds (distance) P-C4' energy: -104.603
flat angles C4'-P-C4' energy: -76.079
flat angles P-C4'-P energy: -51.870
tors. eta vs tors. theta energy: -15.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -600.717234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.717234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.717234 (E_RNA)
where:
Base-Base interactions energy: -282.626
where: short stacking energy: -145.921
Base-Backbone interact. energy: -2.370
local terms energy: -315.721145
where:
bonds (distance) C4'-P energy: -87.118
bonds (distance) P-C4' energy: -92.657
flat angles C4'-P-C4' energy: -90.029
flat angles P-C4'-P energy: -56.348
tors. eta vs tors. theta energy: 10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -2027.235924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.235924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.235924 (E_RNA)
where:
Base-Base interactions energy: -1406.230
where: short stacking energy: -582.924
Base-Backbone interact. energy: -0.824
local terms energy: -620.181826
where:
bonds (distance) C4'-P energy: -116.029
bonds (distance) P-C4' energy: -121.180
flat angles C4'-P-C4' energy: -123.167
flat angles P-C4'-P energy: -90.197
tors. eta vs tors. theta energy: -169.609
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: 8
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -1918.164730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.164730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.164730 (E_RNA)
where:
Base-Base interactions energy: -1290.631
where: short stacking energy: -563.467
Base-Backbone interact. energy: -1.487
local terms energy: -626.046463
where:
bonds (distance) C4'-P energy: -109.037
bonds (distance) P-C4' energy: -126.494
flat angles C4'-P-C4' energy: -125.216
flat angles P-C4'-P energy: -96.375
tors. eta vs tors. theta energy: -168.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1818.205381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.205381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.205381 (E_RNA)
where:
Base-Base interactions energy: -1237.459
where: short stacking energy: -517.324
Base-Backbone interact. energy: -2.296
local terms energy: -578.450031
where:
bonds (distance) C4'-P energy: -107.233
bonds (distance) P-C4' energy: -113.504
flat angles C4'-P-C4' energy: -127.144
flat angles P-C4'-P energy: -84.904
tors. eta vs tors. theta energy: -145.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1597.317230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.317230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.317230 (E_RNA)
where:
Base-Base interactions energy: -1072.198
where: short stacking energy: -462.468
Base-Backbone interact. energy: -2.294
local terms energy: -522.825020
where:
bonds (distance) C4'-P energy: -114.395
bonds (distance) P-C4' energy: -106.091
flat angles C4'-P-C4' energy: -112.051
flat angles P-C4'-P energy: -69.594
tors. eta vs tors. theta energy: -120.694
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: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1447.669721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.669721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.669721 (E_RNA)
where:
Base-Base interactions energy: -934.418
where: short stacking energy: -404.078
Base-Backbone interact. energy: 0.703
local terms energy: -513.954392
where:
bonds (distance) C4'-P energy: -101.173
bonds (distance) P-C4' energy: -119.856
flat angles C4'-P-C4' energy: -100.041
flat angles P-C4'-P energy: -77.621
tors. eta vs tors. theta energy: -115.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1399.147004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.147004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.147004 (E_RNA)
where:
Base-Base interactions energy: -914.522
where: short stacking energy: -416.754
Base-Backbone interact. energy: -2.369
local terms energy: -482.256796
where:
bonds (distance) C4'-P energy: -89.497
bonds (distance) P-C4' energy: -106.788
flat angles C4'-P-C4' energy: -102.696
flat angles P-C4'-P energy: -82.419
tors. eta vs tors. theta energy: -100.856
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: 151
Temperature: 1.200000
Total energy: -1261.578165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.578165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.578165 (E_RNA)
where:
Base-Base interactions energy: -801.182
where: short stacking energy: -376.533
Base-Backbone interact. energy: -3.838
local terms energy: -456.558354
where:
bonds (distance) C4'-P energy: -96.959
bonds (distance) P-C4' energy: -86.091
flat angles C4'-P-C4' energy: -108.863
flat angles P-C4'-P energy: -60.781
tors. eta vs tors. theta energy: -103.863
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: 8, replica: 10
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1016.717797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.717797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.717797 (E_RNA)
where:
Base-Base interactions energy: -632.967
where: short stacking energy: -300.824
Base-Backbone interact. energy: -2.687
local terms energy: -381.063669
where:
bonds (distance) C4'-P energy: -91.758
bonds (distance) P-C4' energy: -103.460
flat angles C4'-P-C4' energy: -95.589
flat angles P-C4'-P energy: -50.498
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: 9, replica: 4
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -587.698275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.698275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.698275 (E_RNA)
where:
Base-Base interactions energy: -266.676
where: short stacking energy: -157.165
Base-Backbone interact. energy: 5.938
local terms energy: -326.959508
where:
bonds (distance) C4'-P energy: -103.834
bonds (distance) P-C4' energy: -100.471
flat angles C4'-P-C4' energy: -77.985
flat angles P-C4'-P energy: -52.535
tors. eta vs tors. theta energy: 7.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -584.205168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.205168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.205168 (E_RNA)
where:
Base-Base interactions energy: -260.199
where: short stacking energy: -170.667
Base-Backbone interact. energy: 4.531
local terms energy: -328.536812
where:
bonds (distance) C4'-P energy: -91.139
bonds (distance) P-C4' energy: -110.300
flat angles C4'-P-C4' energy: -76.580
flat angles P-C4'-P energy: -48.436
tors. eta vs tors. theta energy: -2.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -2049.244598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2049.244598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2049.244598 (E_RNA)
where:
Base-Base interactions energy: -1405.598
where: short stacking energy: -605.304
Base-Backbone interact. energy: -2.205
local terms energy: -641.441575
where:
bonds (distance) C4'-P energy: -107.921
bonds (distance) P-C4' energy: -127.478
flat angles C4'-P-C4' energy: -133.624
flat angles P-C4'-P energy: -92.941
tors. eta vs tors. theta energy: -179.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1908.996460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.996460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.996460 (E_RNA)
where:
Base-Base interactions energy: -1286.899
where: short stacking energy: -579.220
Base-Backbone interact. energy: 3.424
local terms energy: -625.521478
where:
bonds (distance) C4'-P energy: -110.619
bonds (distance) P-C4' energy: -117.030
flat angles C4'-P-C4' energy: -131.615
flat angles P-C4'-P energy: -96.312
tors. eta vs tors. theta energy: -169.945
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: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1801.019342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.019342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.019342 (E_RNA)
where:
Base-Base interactions energy: -1242.343
where: short stacking energy: -521.937
Base-Backbone interact. energy: -1.667
local terms energy: -557.009775
where:
bonds (distance) C4'-P energy: -93.337
bonds (distance) P-C4' energy: -103.791
flat angles C4'-P-C4' energy: -134.853
flat angles P-C4'-P energy: -85.205
tors. eta vs tors. theta energy: -139.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1578.719070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.719070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.719070 (E_RNA)
where:
Base-Base interactions energy: -1032.956
where: short stacking energy: -467.884
Base-Backbone interact. energy: -5.091
local terms energy: -540.672048
where:
bonds (distance) C4'-P energy: -98.535
bonds (distance) P-C4' energy: -116.281
flat angles C4'-P-C4' energy: -139.784
flat angles P-C4'-P energy: -59.327
tors. eta vs tors. theta energy: -126.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1466.342634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.342634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.342634 (E_RNA)
where:
Base-Base interactions energy: -970.809
where: short stacking energy: -407.241
Base-Backbone interact. energy: -2.057
local terms energy: -493.476584
where:
bonds (distance) C4'-P energy: -103.946
bonds (distance) P-C4' energy: -102.382
flat angles C4'-P-C4' energy: -107.261
flat angles P-C4'-P energy: -67.220
tors. eta vs tors. theta energy: -112.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1371.196941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.196941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.196941 (E_RNA)
where:
Base-Base interactions energy: -881.462
where: short stacking energy: -383.358
Base-Backbone interact. energy: -1.369
local terms energy: -488.365870
where:
bonds (distance) C4'-P energy: -109.405
bonds (distance) P-C4' energy: -113.371
flat angles C4'-P-C4' energy: -113.383
flat angles P-C4'-P energy: -64.571
tors. eta vs tors. theta energy: -87.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1185.238485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.238485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.238485 (E_RNA)
where:
Base-Base interactions energy: -745.355
where: short stacking energy: -320.418
Base-Backbone interact. energy: 0.755
local terms energy: -440.638276
where:
bonds (distance) C4'-P energy: -101.348
bonds (distance) P-C4' energy: -98.349
flat angles C4'-P-C4' energy: -110.112
flat angles P-C4'-P energy: -54.271
tors. eta vs tors. theta energy: -76.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -998.852073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.852073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.852073 (E_RNA)
where:
Base-Base interactions energy: -614.984
where: short stacking energy: -287.869
Base-Backbone interact. energy: -2.195
local terms energy: -381.673424
where:
bonds (distance) C4'-P energy: -87.365
bonds (distance) P-C4' energy: -92.968
flat angles C4'-P-C4' energy: -103.385
flat angles P-C4'-P energy: -60.061
tors. eta vs tors. theta energy: -37.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -640.541257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.541257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.541257 (E_RNA)
where:
Base-Base interactions energy: -327.750
where: short stacking energy: -207.441
Base-Backbone interact. energy: 1.424
local terms energy: -314.215835
where:
bonds (distance) C4'-P energy: -90.666
bonds (distance) P-C4' energy: -72.129
flat angles C4'-P-C4' energy: -85.317
flat angles P-C4'-P energy: -53.894
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -536.784013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.784013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.784013 (E_RNA)
where:
Base-Base interactions energy: -209.714
where: short stacking energy: -142.406
Base-Backbone interact. energy: -2.377
local terms energy: -324.693271
where:
bonds (distance) C4'-P energy: -97.341
bonds (distance) P-C4' energy: -84.966
flat angles C4'-P-C4' energy: -91.236
flat angles P-C4'-P energy: -64.654
tors. eta vs tors. theta energy: 13.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -2040.224759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.224759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.224759 (E_RNA)
where:
Base-Base interactions energy: -1421.492
where: short stacking energy: -590.899
Base-Backbone interact. energy: -2.288
local terms energy: -616.444591
where:
bonds (distance) C4'-P energy: -110.493
bonds (distance) P-C4' energy: -103.172
flat angles C4'-P-C4' energy: -145.099
flat angles P-C4'-P energy: -90.466
tors. eta vs tors. theta energy: -167.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1938.249939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.249939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.249939 (E_RNA)
where:
Base-Base interactions energy: -1324.618
where: short stacking energy: -591.741
Base-Backbone interact. energy: -1.962
local terms energy: -611.669757
where:
bonds (distance) C4'-P energy: -111.137
bonds (distance) P-C4' energy: -115.068
flat angles C4'-P-C4' energy: -124.891
flat angles P-C4'-P energy: -87.314
tors. eta vs tors. theta energy: -173.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1821.198289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.198289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.198289 (E_RNA)
where:
Base-Base interactions energy: -1268.302
where: short stacking energy: -514.725
Base-Backbone interact. energy: -4.898
local terms energy: -547.998626
where:
bonds (distance) C4'-P energy: -114.049
bonds (distance) P-C4' energy: -97.545
flat angles C4'-P-C4' energy: -113.502
flat angles P-C4'-P energy: -87.345
tors. eta vs tors. theta energy: -135.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1540.700635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.700635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.700635 (E_RNA)
where:
Base-Base interactions energy: -1012.777
where: short stacking energy: -458.292
Base-Backbone interact. energy: 2.623
local terms energy: -530.546717
where:
bonds (distance) C4'-P energy: -99.213
bonds (distance) P-C4' energy: -114.088
flat angles C4'-P-C4' energy: -110.142
flat angles P-C4'-P energy: -79.170
tors. eta vs tors. theta energy: -127.933
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: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1432.202752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.202752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.202752 (E_RNA)
where:
Base-Base interactions energy: -934.427
where: short stacking energy: -403.700
Base-Backbone interact. energy: 0.439
local terms energy: -498.215056
where:
bonds (distance) C4'-P energy: -98.834
bonds (distance) P-C4' energy: -99.152
flat angles C4'-P-C4' energy: -108.300
flat angles P-C4'-P energy: -78.323
tors. eta vs tors. theta energy: -113.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1363.737782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.737782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.737782 (E_RNA)
where:
Base-Base interactions energy: -860.179
where: short stacking energy: -392.631
Base-Backbone interact. energy: -0.203
local terms energy: -503.356468
where:
bonds (distance) C4'-P energy: -109.785
bonds (distance) P-C4' energy: -111.834
flat angles C4'-P-C4' energy: -106.554
flat angles P-C4'-P energy: -71.002
tors. eta vs tors. theta energy: -104.181
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: 153
Temperature: 1.200000
Total energy: -1201.999662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.999662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.999662 (E_RNA)
where:
Base-Base interactions energy: -769.307
where: short stacking energy: -347.384
Base-Backbone interact. energy: -0.986
local terms energy: -431.706370
where:
bonds (distance) C4'-P energy: -100.892
bonds (distance) P-C4' energy: -92.250
flat angles C4'-P-C4' energy: -94.224
flat angles P-C4'-P energy: -58.167
tors. eta vs tors. theta energy: -86.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -975.652079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.652079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.652079 (E_RNA)
where:
Base-Base interactions energy: -585.501
where: short stacking energy: -290.355
Base-Backbone interact. energy: -2.805
local terms energy: -387.346447
where:
bonds (distance) C4'-P energy: -95.809
bonds (distance) P-C4' energy: -104.967
flat angles C4'-P-C4' energy: -89.602
flat angles P-C4'-P energy: -53.518
tors. eta vs tors. theta energy: -43.450
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: 4
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -693.698465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.698465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.698465 (E_RNA)
where:
Base-Base interactions energy: -361.568
where: short stacking energy: -197.662
Base-Backbone interact. energy: -0.325
local terms energy: -331.805463
where:
bonds (distance) C4'-P energy: -82.860
bonds (distance) P-C4' energy: -104.423
flat angles C4'-P-C4' energy: -94.754
flat angles P-C4'-P energy: -41.160
tors. eta vs tors. theta energy: -8.609
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: 10, replica: 1
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -546.526452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.526452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.526452 (E_RNA)
where:
Base-Base interactions energy: -290.571
where: short stacking energy: -169.306
Base-Backbone interact. energy: -2.095
local terms energy: -253.860332
where:
bonds (distance) C4'-P energy: -70.917
bonds (distance) P-C4' energy: -70.045
flat angles C4'-P-C4' energy: -66.814
flat angles P-C4'-P energy: -45.531
tors. eta vs tors. theta energy: -0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -2022.079273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.079273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.079273 (E_RNA)
where:
Base-Base interactions energy: -1407.296
where: short stacking energy: -581.044
Base-Backbone interact. energy: -0.991
local terms energy: -613.792397
where:
bonds (distance) C4'-P energy: -124.422
bonds (distance) P-C4' energy: -113.808
flat angles C4'-P-C4' energy: -135.127
flat angles P-C4'-P energy: -74.964
tors. eta vs tors. theta energy: -165.473
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: 8
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1942.980841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.980841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.980841 (E_RNA)
where:
Base-Base interactions energy: -1320.418
where: short stacking energy: -592.744
Base-Backbone interact. energy: -2.777
local terms energy: -619.786430
where:
bonds (distance) C4'-P energy: -123.419
bonds (distance) P-C4' energy: -111.293
flat angles C4'-P-C4' energy: -130.283
flat angles P-C4'-P energy: -84.080
tors. eta vs tors. theta energy: -170.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1825.363022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.363022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.363022 (E_RNA)
where:
Base-Base interactions energy: -1264.915
where: short stacking energy: -517.251
Base-Backbone interact. energy: 2.483
local terms energy: -562.931067
where:
bonds (distance) C4'-P energy: -99.152
bonds (distance) P-C4' energy: -107.488
flat angles C4'-P-C4' energy: -127.252
flat angles P-C4'-P energy: -81.326
tors. eta vs tors. theta energy: -147.714
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: 6
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1584.515271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.515271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.515271 (E_RNA)
where:
Base-Base interactions energy: -1039.105
where: short stacking energy: -459.348
Base-Backbone interact. energy: -2.148
local terms energy: -543.262254
where:
bonds (distance) C4'-P energy: -110.617
bonds (distance) P-C4' energy: -113.124
flat angles C4'-P-C4' energy: -125.083
flat angles P-C4'-P energy: -74.182
tors. eta vs tors. theta energy: -120.256
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: 154
Temperature: 1.100000
Total energy: -1450.010847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.010847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.010847 (E_RNA)
where:
Base-Base interactions energy: -915.689
where: short stacking energy: -429.341
Base-Backbone interact. energy: 0.346
local terms energy: -534.667823
where:
bonds (distance) C4'-P energy: -111.022
bonds (distance) P-C4' energy: -118.299
flat angles C4'-P-C4' energy: -118.168
flat angles P-C4'-P energy: -76.400
tors. eta vs tors. theta energy: -110.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1376.693997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.693997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.693997 (E_RNA)
where:
Base-Base interactions energy: -898.323
where: short stacking energy: -407.632
Base-Backbone interact. energy: 0.085
local terms energy: -478.456268
where:
bonds (distance) C4'-P energy: -95.644
bonds (distance) P-C4' energy: -100.699
flat angles C4'-P-C4' energy: -110.921
flat angles P-C4'-P energy: -63.652
tors. eta vs tors. theta energy: -107.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1208.081306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.081306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.081306 (E_RNA)
where:
Base-Base interactions energy: -771.701
where: short stacking energy: -320.754
Base-Backbone interact. energy: -1.817
local terms energy: -434.563250
where:
bonds (distance) C4'-P energy: -95.153
bonds (distance) P-C4' energy: -104.995
flat angles C4'-P-C4' energy: -106.191
flat angles P-C4'-P energy: -60.538
tors. eta vs tors. theta energy: -67.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1064.219697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.219697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.219697 (E_RNA)
where:
Base-Base interactions energy: -667.005
where: short stacking energy: -327.532
Base-Backbone interact. energy: -1.193
local terms energy: -396.022185
where:
bonds (distance) C4'-P energy: -93.744
bonds (distance) P-C4' energy: -96.710
flat angles C4'-P-C4' energy: -101.865
flat angles P-C4'-P energy: -55.267
tors. eta vs tors. theta energy: -48.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -596.736929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.736929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.736929 (E_RNA)
where:
Base-Base interactions energy: -243.298
where: short stacking energy: -155.221
Base-Backbone interact. energy: 0.633
local terms energy: -354.071854
where:
bonds (distance) C4'-P energy: -109.402
bonds (distance) P-C4' energy: -109.600
flat angles C4'-P-C4' energy: -93.529
flat angles P-C4'-P energy: -45.327
tors. eta vs tors. theta energy: 3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -571.861377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.861377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.861377 (E_RNA)
where:
Base-Base interactions energy: -249.762
where: short stacking energy: -148.566
Base-Backbone interact. energy: 1.924
local terms energy: -324.022623
where:
bonds (distance) C4'-P energy: -91.552
bonds (distance) P-C4' energy: -105.543
flat angles C4'-P-C4' energy: -78.885
flat angles P-C4'-P energy: -54.674
tors. eta vs tors. theta energy: 6.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -2025.262693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.262693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.262693 (E_RNA)
where:
Base-Base interactions energy: -1421.528
where: short stacking energy: -590.881
Base-Backbone interact. energy: -4.446
local terms energy: -599.288094
where:
bonds (distance) C4'-P energy: -115.484
bonds (distance) P-C4' energy: -102.969
flat angles C4'-P-C4' energy: -128.966
flat angles P-C4'-P energy: -84.579
tors. eta vs tors. theta energy: -167.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1913.039996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.039996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.039996 (E_RNA)
where:
Base-Base interactions energy: -1324.340
where: short stacking energy: -556.476
Base-Backbone interact. energy: 0.965
local terms energy: -589.664641
where:
bonds (distance) C4'-P energy: -104.450
bonds (distance) P-C4' energy: -118.325
flat angles C4'-P-C4' energy: -125.748
flat angles P-C4'-P energy: -84.372
tors. eta vs tors. theta energy: -156.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1845.755084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.755084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.755084 (E_RNA)
where:
Base-Base interactions energy: -1263.710
where: short stacking energy: -511.280
Base-Backbone interact. energy: -0.473
local terms energy: -581.572442
where:
bonds (distance) C4'-P energy: -108.571
bonds (distance) P-C4' energy: -120.685
flat angles C4'-P-C4' energy: -128.330
flat angles P-C4'-P energy: -89.453
tors. eta vs tors. theta energy: -134.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1618.869018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.869018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.869018 (E_RNA)
where:
Base-Base interactions energy: -1066.571
where: short stacking energy: -480.686
Base-Backbone interact. energy: -2.149
local terms energy: -550.149183
where:
bonds (distance) C4'-P energy: -109.305
bonds (distance) P-C4' energy: -113.670
flat angles C4'-P-C4' energy: -118.515
flat angles P-C4'-P energy: -67.050
tors. eta vs tors. theta energy: -141.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1456.021494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.021494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.021494 (E_RNA)
where:
Base-Base interactions energy: -956.545
where: short stacking energy: -432.501
Base-Backbone interact. energy: -0.201
local terms energy: -499.276043
where:
bonds (distance) C4'-P energy: -100.291
bonds (distance) P-C4' energy: -105.890
flat angles C4'-P-C4' energy: -109.908
flat angles P-C4'-P energy: -70.575
tors. eta vs tors. theta energy: -112.611
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: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1348.306686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.306686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.306686 (E_RNA)
where:
Base-Base interactions energy: -906.320
where: short stacking energy: -415.477
Base-Backbone interact. energy: -1.681
local terms energy: -440.305318
where:
bonds (distance) C4'-P energy: -87.909
bonds (distance) P-C4' energy: -92.140
flat angles C4'-P-C4' energy: -88.742
flat angles P-C4'-P energy: -73.197
tors. eta vs tors. theta energy: -98.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1126.084654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.084654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.084654 (E_RNA)
where:
Base-Base interactions energy: -720.926
where: short stacking energy: -318.088
Base-Backbone interact. energy: 0.081
local terms energy: -405.239729
where:
bonds (distance) C4'-P energy: -86.069
bonds (distance) P-C4' energy: -81.361
flat angles C4'-P-C4' energy: -98.641
flat angles P-C4'-P energy: -66.754
tors. eta vs tors. theta energy: -72.414
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: 10
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1012.967289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.967289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.967289 (E_RNA)
where:
Base-Base interactions energy: -625.586
where: short stacking energy: -274.644
Base-Backbone interact. energy: -0.518
local terms energy: -386.863192
where:
bonds (distance) C4'-P energy: -93.375
bonds (distance) P-C4' energy: -85.916
flat angles C4'-P-C4' energy: -100.009
flat angles P-C4'-P energy: -70.923
tors. eta vs tors. theta energy: -36.641
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: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -631.423721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.423721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.423721 (E_RNA)
where:
Base-Base interactions energy: -314.799
where: short stacking energy: -165.857
Base-Backbone interact. energy: 6.683
local terms energy: -323.308363
where:
bonds (distance) C4'-P energy: -98.290
bonds (distance) P-C4' energy: -102.525
flat angles C4'-P-C4' energy: -80.222
flat angles P-C4'-P energy: -32.443
tors. eta vs tors. theta energy: -9.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -677.238029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.238029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.238029 (E_RNA)
where:
Base-Base interactions energy: -339.170
where: short stacking energy: -157.939
Base-Backbone interact. energy: -1.320
local terms energy: -336.747698
where:
bonds (distance) C4'-P energy: -86.719
bonds (distance) P-C4' energy: -113.890
flat angles C4'-P-C4' energy: -93.100
flat angles P-C4'-P energy: -42.807
tors. eta vs tors. theta energy: -0.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -2055.464232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.464232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.464232 (E_RNA)
where:
Base-Base interactions energy: -1440.988
where: short stacking energy: -601.762
Base-Backbone interact. energy: -2.493
local terms energy: -611.983181
where:
bonds (distance) C4'-P energy: -111.385
bonds (distance) P-C4' energy: -107.237
flat angles C4'-P-C4' energy: -134.165
flat angles P-C4'-P energy: -81.499
tors. eta vs tors. theta energy: -177.697
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: 8
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1890.665469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.665469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.665469 (E_RNA)
where:
Base-Base interactions energy: -1276.926
where: short stacking energy: -563.454
Base-Backbone interact. energy: -1.969
local terms energy: -611.769747
where:
bonds (distance) C4'-P energy: -123.170
bonds (distance) P-C4' energy: -104.203
flat angles C4'-P-C4' energy: -135.731
flat angles P-C4'-P energy: -92.937
tors. eta vs tors. theta energy: -155.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1833.589041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.589041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.589041 (E_RNA)
where:
Base-Base interactions energy: -1260.695
where: short stacking energy: -502.265
Base-Backbone interact. energy: -2.617
local terms energy: -570.277000
where:
bonds (distance) C4'-P energy: -107.418
bonds (distance) P-C4' energy: -112.962
flat angles C4'-P-C4' energy: -126.979
flat angles P-C4'-P energy: -76.086
tors. eta vs tors. theta energy: -146.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1616.155679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.155679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.155679 (E_RNA)
where:
Base-Base interactions energy: -1074.982
where: short stacking energy: -470.665
Base-Backbone interact. energy: -2.738
local terms energy: -538.435062
where:
bonds (distance) C4'-P energy: -103.701
bonds (distance) P-C4' energy: -106.844
flat angles C4'-P-C4' energy: -109.260
flat angles P-C4'-P energy: -83.863
tors. eta vs tors. theta energy: -134.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1494.983791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.983791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.983791 (E_RNA)
where:
Base-Base interactions energy: -984.563
where: short stacking energy: -452.751
Base-Backbone interact. energy: -1.608
local terms energy: -508.812782
where:
bonds (distance) C4'-P energy: -86.382
bonds (distance) P-C4' energy: -110.047
flat angles C4'-P-C4' energy: -115.058
flat angles P-C4'-P energy: -84.525
tors. eta vs tors. theta energy: -112.800
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: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1332.980253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.980253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.980253 (E_RNA)
where:
Base-Base interactions energy: -867.639
where: short stacking energy: -401.866
Base-Backbone interact. energy: -0.591
local terms energy: -464.750344
where:
bonds (distance) C4'-P energy: -115.343
bonds (distance) P-C4' energy: -88.667
flat angles C4'-P-C4' energy: -103.071
flat angles P-C4'-P energy: -70.511
tors. eta vs tors. theta energy: -87.158
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: 10
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1082.125196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.125196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.125196 (E_RNA)
where:
Base-Base interactions energy: -668.053
where: short stacking energy: -330.744
Base-Backbone interact. energy: -4.155
local terms energy: -409.917126
where:
bonds (distance) C4'-P energy: -88.332
bonds (distance) P-C4' energy: -73.233
flat angles C4'-P-C4' energy: -119.725
flat angles P-C4'-P energy: -63.377
tors. eta vs tors. theta energy: -65.250
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: 8, replica: 2
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1071.404067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.404067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.404067 (E_RNA)
where:
Base-Base interactions energy: -672.948
where: short stacking energy: -303.018
Base-Backbone interact. energy: 2.325
local terms energy: -400.780822
where:
bonds (distance) C4'-P energy: -95.559
bonds (distance) P-C4' energy: -97.775
flat angles C4'-P-C4' energy: -87.296
flat angles P-C4'-P energy: -62.514
tors. eta vs tors. theta energy: -57.637
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: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -762.900704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.900704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.900704 (E_RNA)
where:
Base-Base interactions energy: -425.767
where: short stacking energy: -220.350
Base-Backbone interact. energy: 0.266
local terms energy: -337.400454
where:
bonds (distance) C4'-P energy: -88.200
bonds (distance) P-C4' energy: -102.004
flat angles C4'-P-C4' energy: -86.779
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -14.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -730.484299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.484299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.484299 (E_RNA)
where:
Base-Base interactions energy: -387.807
where: short stacking energy: -201.040
Base-Backbone interact. energy: 0.383
local terms energy: -343.060164
where:
bonds (distance) C4'-P energy: -95.444
bonds (distance) P-C4' energy: -93.806
flat angles C4'-P-C4' energy: -81.432
flat angles P-C4'-P energy: -62.032
tors. eta vs tors. theta energy: -10.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -2061.116223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.116223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.116223 (E_RNA)
where:
Base-Base interactions energy: -1417.666
where: short stacking energy: -587.536
Base-Backbone interact. energy: -3.996
local terms energy: -639.453874
where:
bonds (distance) C4'-P energy: -114.404
bonds (distance) P-C4' energy: -119.525
flat angles C4'-P-C4' energy: -136.208
flat angles P-C4'-P energy: -93.888
tors. eta vs tors. theta energy: -175.429
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: 8
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1959.001768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.001768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.001768 (E_RNA)
where:
Base-Base interactions energy: -1312.753
where: short stacking energy: -584.968
Base-Backbone interact. energy: -1.894
local terms energy: -644.355580
where:
bonds (distance) C4'-P energy: -123.220
bonds (distance) P-C4' energy: -127.580
flat angles C4'-P-C4' energy: -135.278
flat angles P-C4'-P energy: -84.582
tors. eta vs tors. theta energy: -173.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1855.948013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.948013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.948013 (E_RNA)
where:
Base-Base interactions energy: -1304.646
where: short stacking energy: -515.117
Base-Backbone interact. energy: -2.347
local terms energy: -548.954629
where:
bonds (distance) C4'-P energy: -107.200
bonds (distance) P-C4' energy: -104.439
flat angles C4'-P-C4' energy: -121.475
flat angles P-C4'-P energy: -77.217
tors. eta vs tors. theta energy: -138.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1594.125522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.125522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.125522 (E_RNA)
where:
Base-Base interactions energy: -1066.653
where: short stacking energy: -461.064
Base-Backbone interact. energy: 2.310
local terms energy: -529.782790
where:
bonds (distance) C4'-P energy: -91.703
bonds (distance) P-C4' energy: -121.834
flat angles C4'-P-C4' energy: -112.604
flat angles P-C4'-P energy: -78.722
tors. eta vs tors. theta energy: -124.919
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: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1443.832933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.832933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.832933 (E_RNA)
where:
Base-Base interactions energy: -961.858
where: short stacking energy: -438.802
Base-Backbone interact. energy: -2.254
local terms energy: -479.721069
where:
bonds (distance) C4'-P energy: -108.683
bonds (distance) P-C4' energy: -92.270
flat angles C4'-P-C4' energy: -110.113
flat angles P-C4'-P energy: -67.838
tors. eta vs tors. theta energy: -100.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1374.190911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.190911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.190911 (E_RNA)
where:
Base-Base interactions energy: -907.472
where: short stacking energy: -401.859
Base-Backbone interact. energy: -2.428
local terms energy: -464.291136
where:
bonds (distance) C4'-P energy: -78.226
bonds (distance) P-C4' energy: -116.495
flat angles C4'-P-C4' energy: -106.691
flat angles P-C4'-P energy: -67.125
tors. eta vs tors. theta energy: -95.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1078.827686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.827686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.827686 (E_RNA)
where:
Base-Base interactions energy: -655.525
where: short stacking energy: -310.525
Base-Backbone interact. energy: 2.863
local terms energy: -426.165515
where:
bonds (distance) C4'-P energy: -98.341
bonds (distance) P-C4' energy: -113.424
flat angles C4'-P-C4' energy: -80.249
flat angles P-C4'-P energy: -70.346
tors. eta vs tors. theta energy: -63.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1110.451977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.451977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.451977 (E_RNA)
where:
Base-Base interactions energy: -704.973
where: short stacking energy: -345.216
Base-Backbone interact. energy: 0.848
local terms energy: -406.326885
where:
bonds (distance) C4'-P energy: -87.975
bonds (distance) P-C4' energy: -96.109
flat angles C4'-P-C4' energy: -93.522
flat angles P-C4'-P energy: -62.802
tors. eta vs tors. theta energy: -65.919
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: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -791.730153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.730153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.730153 (E_RNA)
where:
Base-Base interactions energy: -433.746
where: short stacking energy: -232.829
Base-Backbone interact. energy: -0.999
local terms energy: -356.985333
where:
bonds (distance) C4'-P energy: -98.888
bonds (distance) P-C4' energy: -95.322
flat angles C4'-P-C4' energy: -105.063
flat angles P-C4'-P energy: -33.900
tors. eta vs tors. theta energy: -23.812
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: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -615.431199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.431199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.431199 (E_RNA)
where:
Base-Base interactions energy: -333.883
where: short stacking energy: -171.390
Base-Backbone interact. energy: -0.891
local terms energy: -280.656485
where:
bonds (distance) C4'-P energy: -101.239
bonds (distance) P-C4' energy: -82.080
flat angles C4'-P-C4' energy: -72.909
flat angles P-C4'-P energy: -29.921
tors. eta vs tors. theta energy: 5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -2070.637938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.637938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.637938 (E_RNA)
where:
Base-Base interactions energy: -1427.726
where: short stacking energy: -586.755
Base-Backbone interact. energy: -2.511
local terms energy: -640.400236
where:
bonds (distance) C4'-P energy: -127.856
bonds (distance) P-C4' energy: -126.068
flat angles C4'-P-C4' energy: -123.801
flat angles P-C4'-P energy: -89.011
tors. eta vs tors. theta energy: -173.664
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: 8
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1958.623504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.623504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.623504 (E_RNA)
where:
Base-Base interactions energy: -1342.008
where: short stacking energy: -568.164
Base-Backbone interact. energy: -3.090
local terms energy: -613.524735
where:
bonds (distance) C4'-P energy: -121.122
bonds (distance) P-C4' energy: -116.210
flat angles C4'-P-C4' energy: -116.151
flat angles P-C4'-P energy: -80.257
tors. eta vs tors. theta energy: -179.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1824.243172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.243172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.243172 (E_RNA)
where:
Base-Base interactions energy: -1244.818
where: short stacking energy: -506.908
Base-Backbone interact. energy: -2.387
local terms energy: -577.038450
where:
bonds (distance) C4'-P energy: -100.266
bonds (distance) P-C4' energy: -121.347
flat angles C4'-P-C4' energy: -128.622
flat angles P-C4'-P energy: -90.145
tors. eta vs tors. theta energy: -136.658
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: 6
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1594.213628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.213628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.213628 (E_RNA)
where:
Base-Base interactions energy: -1048.900
where: short stacking energy: -463.596
Base-Backbone interact. energy: -0.800
local terms energy: -544.513334
where:
bonds (distance) C4'-P energy: -116.398
bonds (distance) P-C4' energy: -111.078
flat angles C4'-P-C4' energy: -113.994
flat angles P-C4'-P energy: -72.634
tors. eta vs tors. theta energy: -130.408
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: 5
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1441.687440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.687440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.687440 (E_RNA)
where:
Base-Base interactions energy: -946.940
where: short stacking energy: -420.544
Base-Backbone interact. energy: 1.224
local terms energy: -495.972011
where:
bonds (distance) C4'-P energy: -102.976
bonds (distance) P-C4' energy: -91.572
flat angles C4'-P-C4' energy: -107.208
flat angles P-C4'-P energy: -82.019
tors. eta vs tors. theta energy: -112.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1414.319063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.319063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.319063 (E_RNA)
where:
Base-Base interactions energy: -925.928
where: short stacking energy: -417.808
Base-Backbone interact. energy: 0.056
local terms energy: -488.447560
where:
bonds (distance) C4'-P energy: -96.131
bonds (distance) P-C4' energy: -99.483
flat angles C4'-P-C4' energy: -98.826
flat angles P-C4'-P energy: -82.776
tors. eta vs tors. theta energy: -111.231
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: 2
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1131.710490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.710490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.710490 (E_RNA)
where:
Base-Base interactions energy: -695.102
where: short stacking energy: -316.317
Base-Backbone interact. energy: 4.140
local terms energy: -440.749067
where:
bonds (distance) C4'-P energy: -110.930
bonds (distance) P-C4' energy: -89.300
flat angles C4'-P-C4' energy: -98.640
flat angles P-C4'-P energy: -70.585
tors. eta vs tors. theta energy: -71.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1022.118784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.118784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.118784 (E_RNA)
where:
Base-Base interactions energy: -625.366
where: short stacking energy: -288.654
Base-Backbone interact. energy: -1.459
local terms energy: -395.294063
where:
bonds (distance) C4'-P energy: -94.235
bonds (distance) P-C4' energy: -88.982
flat angles C4'-P-C4' energy: -101.146
flat angles P-C4'-P energy: -57.322
tors. eta vs tors. theta energy: -53.609
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: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -805.656758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.656758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.656758 (E_RNA)
where:
Base-Base interactions energy: -439.921
where: short stacking energy: -201.901
Base-Backbone interact. energy: -2.175
local terms energy: -363.561234
where:
bonds (distance) C4'-P energy: -95.567
bonds (distance) P-C4' energy: -95.973
flat angles C4'-P-C4' energy: -105.534
flat angles P-C4'-P energy: -49.620
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -564.719070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.719070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.719070 (E_RNA)
where:
Base-Base interactions energy: -234.578
where: short stacking energy: -144.906
Base-Backbone interact. energy: -2.190
local terms energy: -327.951607
where:
bonds (distance) C4'-P energy: -89.678
bonds (distance) P-C4' energy: -104.609
flat angles C4'-P-C4' energy: -75.123
flat angles P-C4'-P energy: -52.668
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -2059.471616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.471616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.471616 (E_RNA)
where:
Base-Base interactions energy: -1440.410
where: short stacking energy: -613.456
Base-Backbone interact. energy: -1.947
local terms energy: -617.113805
where:
bonds (distance) C4'-P energy: -121.019
bonds (distance) P-C4' energy: -103.923
flat angles C4'-P-C4' energy: -134.375
flat angles P-C4'-P energy: -81.794
tors. eta vs tors. theta energy: -176.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1957.721468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.721468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.721468 (E_RNA)
where:
Base-Base interactions energy: -1330.914
where: short stacking energy: -576.242
Base-Backbone interact. energy: -3.430
local terms energy: -623.377389
where:
bonds (distance) C4'-P energy: -117.211
bonds (distance) P-C4' energy: -115.141
flat angles C4'-P-C4' energy: -137.433
flat angles P-C4'-P energy: -83.855
tors. eta vs tors. theta energy: -169.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1822.610956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.610956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.610956 (E_RNA)
where:
Base-Base interactions energy: -1257.119
where: short stacking energy: -518.922
Base-Backbone interact. energy: 2.645
local terms energy: -568.136745
where:
bonds (distance) C4'-P energy: -91.889
bonds (distance) P-C4' energy: -107.164
flat angles C4'-P-C4' energy: -131.148
flat angles P-C4'-P energy: -84.607
tors. eta vs tors. theta energy: -153.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1627.410983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.410983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.410983 (E_RNA)
where:
Base-Base interactions energy: -1084.312
where: short stacking energy: -482.973
Base-Backbone interact. energy: -4.027
local terms energy: -539.071733
where:
bonds (distance) C4'-P energy: -106.384
bonds (distance) P-C4' energy: -122.266
flat angles C4'-P-C4' energy: -111.514
flat angles P-C4'-P energy: -78.430
tors. eta vs tors. theta energy: -120.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1468.161538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.161538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.161538 (E_RNA)
where:
Base-Base interactions energy: -964.369
where: short stacking energy: -439.257
Base-Backbone interact. energy: -3.174
local terms energy: -500.618540
where:
bonds (distance) C4'-P energy: -112.257
bonds (distance) P-C4' energy: -97.458
flat angles C4'-P-C4' energy: -106.271
flat angles P-C4'-P energy: -68.301
tors. eta vs tors. theta energy: -116.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1413.824474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.824474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.824474 (E_RNA)
where:
Base-Base interactions energy: -923.016
where: short stacking energy: -440.851
Base-Backbone interact. energy: -1.758
local terms energy: -489.050787
where:
bonds (distance) C4'-P energy: -98.862
bonds (distance) P-C4' energy: -102.421
flat angles C4'-P-C4' energy: -107.137
flat angles P-C4'-P energy: -65.336
tors. eta vs tors. theta energy: -115.295
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: 2
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1179.397258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.397258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.397258 (E_RNA)
where:
Base-Base interactions energy: -750.770
where: short stacking energy: -355.200
Base-Backbone interact. energy: 1.377
local terms energy: -430.004451
where:
bonds (distance) C4'-P energy: -82.302
bonds (distance) P-C4' energy: -100.931
flat angles C4'-P-C4' energy: -111.314
flat angles P-C4'-P energy: -58.662
tors. eta vs tors. theta energy: -76.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1001.458548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.458548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.458548 (E_RNA)
where:
Base-Base interactions energy: -623.532
where: short stacking energy: -287.463
Base-Backbone interact. energy: 3.104
local terms energy: -381.030416
where:
bonds (distance) C4'-P energy: -87.014
bonds (distance) P-C4' energy: -101.561
flat angles C4'-P-C4' energy: -96.993
flat angles P-C4'-P energy: -46.250
tors. eta vs tors. theta energy: -49.213
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: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -849.370021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.370021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.370021 (E_RNA)
where:
Base-Base interactions energy: -497.148
where: short stacking energy: -247.474
Base-Backbone interact. energy: 1.616
local terms energy: -353.838030
where:
bonds (distance) C4'-P energy: -90.235
bonds (distance) P-C4' energy: -92.316
flat angles C4'-P-C4' energy: -95.702
flat angles P-C4'-P energy: -46.531
tors. eta vs tors. theta energy: -29.054
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: 4
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -611.815560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.815560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.815560 (E_RNA)
where:
Base-Base interactions energy: -305.389
where: short stacking energy: -179.183
Base-Backbone interact. energy: 0.995
local terms energy: -307.421150
where:
bonds (distance) C4'-P energy: -92.070
bonds (distance) P-C4' energy: -93.353
flat angles C4'-P-C4' energy: -76.342
flat angles P-C4'-P energy: -49.079
tors. eta vs tors. theta energy: 3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -2055.784641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.784641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.784641 (E_RNA)
where:
Base-Base interactions energy: -1436.463
where: short stacking energy: -588.983
Base-Backbone interact. energy: -1.326
local terms energy: -617.995855
where:
bonds (distance) C4'-P energy: -118.259
bonds (distance) P-C4' energy: -119.144
flat angles C4'-P-C4' energy: -120.166
flat angles P-C4'-P energy: -84.920
tors. eta vs tors. theta energy: -175.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1929.439979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.439979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.439979 (E_RNA)
where:
Base-Base interactions energy: -1323.719
where: short stacking energy: -578.883
Base-Backbone interact. energy: -3.216
local terms energy: -602.504806
where:
bonds (distance) C4'-P energy: -115.972
bonds (distance) P-C4' energy: -111.279
flat angles C4'-P-C4' energy: -129.932
flat angles P-C4'-P energy: -79.700
tors. eta vs tors. theta energy: -165.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1820.864099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.864099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.864099 (E_RNA)
where:
Base-Base interactions energy: -1269.955
where: short stacking energy: -518.168
Base-Backbone interact. energy: 0.677
local terms energy: -551.586267
where:
bonds (distance) C4'-P energy: -97.164
bonds (distance) P-C4' energy: -108.456
flat angles C4'-P-C4' energy: -118.871
flat angles P-C4'-P energy: -69.195
tors. eta vs tors. theta energy: -157.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1564.935656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.935656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.935656 (E_RNA)
where:
Base-Base interactions energy: -1019.974
where: short stacking energy: -452.873
Base-Backbone interact. energy: -3.633
local terms energy: -541.328813
where:
bonds (distance) C4'-P energy: -129.516
bonds (distance) P-C4' energy: -100.515
flat angles C4'-P-C4' energy: -118.401
flat angles P-C4'-P energy: -70.890
tors. eta vs tors. theta energy: -122.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1444.096205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.096205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.096205 (E_RNA)
where:
Base-Base interactions energy: -946.602
where: short stacking energy: -446.871
Base-Backbone interact. energy: 0.926
local terms energy: -498.420394
where:
bonds (distance) C4'-P energy: -94.142
bonds (distance) P-C4' energy: -116.199
flat angles C4'-P-C4' energy: -116.976
flat angles P-C4'-P energy: -65.569
tors. eta vs tors. theta energy: -105.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1378.660517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.660517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.660517 (E_RNA)
where:
Base-Base interactions energy: -895.841
where: short stacking energy: -402.187
Base-Backbone interact. energy: -0.158
local terms energy: -482.661822
where:
bonds (distance) C4'-P energy: -103.028
bonds (distance) P-C4' energy: -117.914
flat angles C4'-P-C4' energy: -103.582
flat angles P-C4'-P energy: -68.651
tors. eta vs tors. theta energy: -89.488
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: 2
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1093.151273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.151273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.151273 (E_RNA)
where:
Base-Base interactions energy: -688.906
where: short stacking energy: -312.505
Base-Backbone interact. energy: -3.876
local terms energy: -400.369284
where:
bonds (distance) C4'-P energy: -77.715
bonds (distance) P-C4' energy: -96.422
flat angles C4'-P-C4' energy: -110.892
flat angles P-C4'-P energy: -62.327
tors. eta vs tors. theta energy: -53.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1032.371160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.371160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.371160 (E_RNA)
where:
Base-Base interactions energy: -619.572
where: short stacking energy: -287.639
Base-Backbone interact. energy: 1.330
local terms energy: -414.128980
where:
bonds (distance) C4'-P energy: -77.248
bonds (distance) P-C4' energy: -94.702
flat angles C4'-P-C4' energy: -109.450
flat angles P-C4'-P energy: -68.642
tors. eta vs tors. theta energy: -64.087
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: 1
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -857.107531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.107531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.107531 (E_RNA)
where:
Base-Base interactions energy: -509.243
where: short stacking energy: -234.270
Base-Backbone interact. energy: 0.540
local terms energy: -348.405145
where:
bonds (distance) C4'-P energy: -88.367
bonds (distance) P-C4' energy: -85.686
flat angles C4'-P-C4' energy: -90.775
flat angles P-C4'-P energy: -54.850
tors. eta vs tors. theta energy: -28.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -635.710083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.710083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.710083 (E_RNA)
where:
Base-Base interactions energy: -313.024
where: short stacking energy: -168.820
Base-Backbone interact. energy: 0.376
local terms energy: -323.062089
where:
bonds (distance) C4'-P energy: -75.698
bonds (distance) P-C4' energy: -97.050
flat angles C4'-P-C4' energy: -92.590
flat angles P-C4'-P energy: -47.015
tors. eta vs tors. theta energy: -10.710
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: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -2053.233083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.233083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.233083 (E_RNA)
where:
Base-Base interactions energy: -1426.747
where: short stacking energy: -594.530
Base-Backbone interact. energy: -3.583
local terms energy: -622.903085
where:
bonds (distance) C4'-P energy: -120.290
bonds (distance) P-C4' energy: -126.379
flat angles C4'-P-C4' energy: -123.721
flat angles P-C4'-P energy: -87.327
tors. eta vs tors. theta energy: -165.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1880.980704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.980704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.980704 (E_RNA)
where:
Base-Base interactions energy: -1306.389
where: short stacking energy: -556.643
Base-Backbone interact. energy: -2.754
local terms energy: -571.837514
where:
bonds (distance) C4'-P energy: -96.943
bonds (distance) P-C4' energy: -106.712
flat angles C4'-P-C4' energy: -124.463
flat angles P-C4'-P energy: -87.432
tors. eta vs tors. theta energy: -156.287
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: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1871.035431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.035431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.035431 (E_RNA)
where:
Base-Base interactions energy: -1299.800
where: short stacking energy: -576.976
Base-Backbone interact. energy: -1.069
local terms energy: -570.166422
where:
bonds (distance) C4'-P energy: -107.761
bonds (distance) P-C4' energy: -109.370
flat angles C4'-P-C4' energy: -120.058
flat angles P-C4'-P energy: -72.058
tors. eta vs tors. theta energy: -160.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1564.429874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.429874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.429874 (E_RNA)
where:
Base-Base interactions energy: -1050.010
where: short stacking energy: -483.996
Base-Backbone interact. energy: 5.676
local terms energy: -520.095827
where:
bonds (distance) C4'-P energy: -119.223
bonds (distance) P-C4' energy: -108.019
flat angles C4'-P-C4' energy: -102.519
flat angles P-C4'-P energy: -66.811
tors. eta vs tors. theta energy: -123.525
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: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1408.200040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.200040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.200040 (E_RNA)
where:
Base-Base interactions energy: -913.024
where: short stacking energy: -386.473
Base-Backbone interact. energy: -2.221
local terms energy: -492.955412
where:
bonds (distance) C4'-P energy: -102.022
bonds (distance) P-C4' energy: -113.522
flat angles C4'-P-C4' energy: -125.234
flat angles P-C4'-P energy: -57.170
tors. eta vs tors. theta energy: -95.006
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: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1383.442644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.442644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.442644 (E_RNA)
where:
Base-Base interactions energy: -915.645
where: short stacking energy: -396.740
Base-Backbone interact. energy: 0.188
local terms energy: -467.986234
where:
bonds (distance) C4'-P energy: -95.252
bonds (distance) P-C4' energy: -110.320
flat angles C4'-P-C4' energy: -114.082
flat angles P-C4'-P energy: -65.094
tors. eta vs tors. theta energy: -83.239
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: 161
Temperature: 1.200000
Total energy: -1162.516513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.516513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.516513 (E_RNA)
where:
Base-Base interactions energy: -734.546
where: short stacking energy: -314.986
Base-Backbone interact. energy: -0.083
local terms energy: -427.888020
where:
bonds (distance) C4'-P energy: -94.720
bonds (distance) P-C4' energy: -100.635
flat angles C4'-P-C4' energy: -92.390
flat angles P-C4'-P energy: -67.485
tors. eta vs tors. theta energy: -72.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1036.403100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.403100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.403100 (E_RNA)
where:
Base-Base interactions energy: -658.696
where: short stacking energy: -301.197
Base-Backbone interact. energy: 1.766
local terms energy: -379.473215
where:
bonds (distance) C4'-P energy: -95.182
bonds (distance) P-C4' energy: -95.461
flat angles C4'-P-C4' energy: -81.308
flat angles P-C4'-P energy: -55.822
tors. eta vs tors. theta energy: -51.700
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: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -894.084238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.084238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.084238 (E_RNA)
where:
Base-Base interactions energy: -544.815
where: short stacking energy: -271.012
Base-Backbone interact. energy: 1.836
local terms energy: -351.104899
where:
bonds (distance) C4'-P energy: -84.808
bonds (distance) P-C4' energy: -106.270
flat angles C4'-P-C4' energy: -79.192
flat angles P-C4'-P energy: -51.234
tors. eta vs tors. theta energy: -29.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -732.760719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.760719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.760719 (E_RNA)
where:
Base-Base interactions energy: -396.432
where: short stacking energy: -203.969
Base-Backbone interact. energy: 2.775
local terms energy: -339.104394
where:
bonds (distance) C4'-P energy: -99.572
bonds (distance) P-C4' energy: -101.358
flat angles C4'-P-C4' energy: -78.910
flat angles P-C4'-P energy: -58.576
tors. eta vs tors. theta energy: -0.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -2042.473779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.473779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.473779 (E_RNA)
where:
Base-Base interactions energy: -1413.515
where: short stacking energy: -589.616
Base-Backbone interact. energy: -3.341
local terms energy: -625.617929
where:
bonds (distance) C4'-P energy: -114.868
bonds (distance) P-C4' energy: -128.402
flat angles C4'-P-C4' energy: -134.960
flat angles P-C4'-P energy: -80.053
tors. eta vs tors. theta energy: -167.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1867.501261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.501261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.501261 (E_RNA)
where:
Base-Base interactions energy: -1278.937
where: short stacking energy: -557.830
Base-Backbone interact. energy: -1.290
local terms energy: -587.273886
where:
bonds (distance) C4'-P energy: -101.085
bonds (distance) P-C4' energy: -108.602
flat angles C4'-P-C4' energy: -131.834
flat angles P-C4'-P energy: -86.521
tors. eta vs tors. theta energy: -159.231
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: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -1853.660761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.660761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.660761 (E_RNA)
where:
Base-Base interactions energy: -1270.627
where: short stacking energy: -543.023
Base-Backbone interact. energy: -2.121
local terms energy: -580.912294
where:
bonds (distance) C4'-P energy: -96.723
bonds (distance) P-C4' energy: -105.655
flat angles C4'-P-C4' energy: -135.298
flat angles P-C4'-P energy: -79.374
tors. eta vs tors. theta energy: -163.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1607.715179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.715179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.715179 (E_RNA)
where:
Base-Base interactions energy: -1057.639
where: short stacking energy: -451.134
Base-Backbone interact. energy: -0.820
local terms energy: -549.256179
where:
bonds (distance) C4'-P energy: -115.596
bonds (distance) P-C4' energy: -109.814
flat angles C4'-P-C4' energy: -120.281
flat angles P-C4'-P energy: -85.853
tors. eta vs tors. theta energy: -117.712
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: 5
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1579.213666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.213666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.213666 (E_RNA)
where:
Base-Base interactions energy: -1042.970
where: short stacking energy: -441.685
Base-Backbone interact. energy: -1.001
local terms energy: -535.242717
where:
bonds (distance) C4'-P energy: -97.178
bonds (distance) P-C4' energy: -112.848
flat angles C4'-P-C4' energy: -111.967
flat angles P-C4'-P energy: -82.598
tors. eta vs tors. theta energy: -130.651
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: 162
Temperature: 1.150000
Total energy: -1327.701305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.701305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.701305 (E_RNA)
where:
Base-Base interactions energy: -869.646
where: short stacking energy: -377.872
Base-Backbone interact. energy: -1.437
local terms energy: -456.617947
where:
bonds (distance) C4'-P energy: -87.603
bonds (distance) P-C4' energy: -97.015
flat angles C4'-P-C4' energy: -104.647
flat angles P-C4'-P energy: -83.599
tors. eta vs tors. theta energy: -83.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1158.184611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.184611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.184611 (E_RNA)
where:
Base-Base interactions energy: -734.808
where: short stacking energy: -313.604
Base-Backbone interact. energy: -1.651
local terms energy: -421.725751
where:
bonds (distance) C4'-P energy: -94.969
bonds (distance) P-C4' energy: -106.899
flat angles C4'-P-C4' energy: -98.158
flat angles P-C4'-P energy: -67.973
tors. eta vs tors. theta energy: -53.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1010.013013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.013013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.013013 (E_RNA)
where:
Base-Base interactions energy: -625.710
where: short stacking energy: -275.200
Base-Backbone interact. energy: 0.703
local terms energy: -385.006322
where:
bonds (distance) C4'-P energy: -96.327
bonds (distance) P-C4' energy: -102.845
flat angles C4'-P-C4' energy: -83.522
flat angles P-C4'-P energy: -56.238
tors. eta vs tors. theta energy: -46.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -908.366918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.366918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.366918 (E_RNA)
where:
Base-Base interactions energy: -500.984
where: short stacking energy: -236.522
Base-Backbone interact. energy: -0.770
local terms energy: -406.612925
where:
bonds (distance) C4'-P energy: -90.244
bonds (distance) P-C4' energy: -109.086
flat angles C4'-P-C4' energy: -100.739
flat angles P-C4'-P energy: -73.725
tors. eta vs tors. theta energy: -32.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -735.949808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.949808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.949808 (E_RNA)
where:
Base-Base interactions energy: -402.220
where: short stacking energy: -208.239
Base-Backbone interact. energy: -1.066
local terms energy: -332.663038
where:
bonds (distance) C4'-P energy: -80.259
bonds (distance) P-C4' energy: -93.366
flat angles C4'-P-C4' energy: -90.561
flat angles P-C4'-P energy: -47.693
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -2070.174848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.174848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.174848 (E_RNA)
where:
Base-Base interactions energy: -1453.981
where: short stacking energy: -625.565
Base-Backbone interact. energy: -2.548
local terms energy: -613.646253
where:
bonds (distance) C4'-P energy: -116.675
bonds (distance) P-C4' energy: -118.778
flat angles C4'-P-C4' energy: -118.051
flat angles P-C4'-P energy: -80.958
tors. eta vs tors. theta energy: -179.183
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: 9
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1879.919356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.919356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.919356 (E_RNA)
where:
Base-Base interactions energy: -1296.642
where: short stacking energy: -534.459
Base-Backbone interact. energy: -3.462
local terms energy: -579.814908
where:
bonds (distance) C4'-P energy: -106.938
bonds (distance) P-C4' energy: -114.573
flat angles C4'-P-C4' energy: -117.866
flat angles P-C4'-P energy: -86.520
tors. eta vs tors. theta energy: -153.918
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: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1877.425546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.425546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.425546 (E_RNA)
where:
Base-Base interactions energy: -1287.394
where: short stacking energy: -563.655
Base-Backbone interact. energy: -1.555
local terms energy: -588.476378
where:
bonds (distance) C4'-P energy: -104.450
bonds (distance) P-C4' energy: -104.498
flat angles C4'-P-C4' energy: -131.846
flat angles P-C4'-P energy: -79.247
tors. eta vs tors. theta energy: -168.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1652.080168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.080168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.080168 (E_RNA)
where:
Base-Base interactions energy: -1106.348
where: short stacking energy: -464.698
Base-Backbone interact. energy: -2.049
local terms energy: -543.683018
where:
bonds (distance) C4'-P energy: -103.282
bonds (distance) P-C4' energy: -126.545
flat angles C4'-P-C4' energy: -97.471
flat angles P-C4'-P energy: -76.851
tors. eta vs tors. theta energy: -139.535
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: 5
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1572.058467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.058467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.058467 (E_RNA)
where:
Base-Base interactions energy: -1014.381
where: short stacking energy: -457.069
Base-Backbone interact. energy: -2.077
local terms energy: -555.600857
where:
bonds (distance) C4'-P energy: -113.359
bonds (distance) P-C4' energy: -115.035
flat angles C4'-P-C4' energy: -129.737
flat angles P-C4'-P energy: -74.567
tors. eta vs tors. theta energy: -122.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1338.441898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.441898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.441898 (E_RNA)
where:
Base-Base interactions energy: -850.893
where: short stacking energy: -375.262
Base-Backbone interact. energy: -2.147
local terms energy: -485.401367
where:
bonds (distance) C4'-P energy: -94.229
bonds (distance) P-C4' energy: -106.625
flat angles C4'-P-C4' energy: -111.554
flat angles P-C4'-P energy: -80.151
tors. eta vs tors. theta energy: -92.843
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: 163
Temperature: 1.200000
Total energy: -1193.671242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.671242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.671242 (E_RNA)
where:
Base-Base interactions energy: -782.026
where: short stacking energy: -348.311
Base-Backbone interact. energy: -1.644
local terms energy: -410.001174
where:
bonds (distance) C4'-P energy: -94.452
bonds (distance) P-C4' energy: -96.806
flat angles C4'-P-C4' energy: -100.986
flat angles P-C4'-P energy: -46.922
tors. eta vs tors. theta energy: -70.835
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: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -961.172930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.172930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.172930 (E_RNA)
where:
Base-Base interactions energy: -573.683
where: short stacking energy: -277.355
Base-Backbone interact. energy: -3.054
local terms energy: -384.435775
where:
bonds (distance) C4'-P energy: -73.853
bonds (distance) P-C4' energy: -96.983
flat angles C4'-P-C4' energy: -96.325
flat angles P-C4'-P energy: -69.771
tors. eta vs tors. theta energy: -47.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -927.217800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.217800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.217800 (E_RNA)
where:
Base-Base interactions energy: -544.024
where: short stacking energy: -254.960
Base-Backbone interact. energy: 0.985
local terms energy: -384.179541
where:
bonds (distance) C4'-P energy: -88.455
bonds (distance) P-C4' energy: -100.990
flat angles C4'-P-C4' energy: -100.395
flat angles P-C4'-P energy: -62.103
tors. eta vs tors. theta energy: -32.237
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: 4
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -685.107562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.107562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.107562 (E_RNA)
where:
Base-Base interactions energy: -352.442
where: short stacking energy: -168.879
Base-Backbone interact. energy: -0.435
local terms energy: -332.230528
where:
bonds (distance) C4'-P energy: -87.073
bonds (distance) P-C4' energy: -110.296
flat angles C4'-P-C4' energy: -100.282
flat angles P-C4'-P energy: -44.443
tors. eta vs tors. theta energy: 9.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -2067.741062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.741062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.741062 (E_RNA)
where:
Base-Base interactions energy: -1447.980
where: short stacking energy: -608.283
Base-Backbone interact. energy: -3.653
local terms energy: -616.108196
where:
bonds (distance) C4'-P energy: -104.884
bonds (distance) P-C4' energy: -115.084
flat angles C4'-P-C4' energy: -125.574
flat angles P-C4'-P energy: -94.930
tors. eta vs tors. theta energy: -175.636
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: 9
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1886.519870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.519870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.519870 (E_RNA)
where:
Base-Base interactions energy: -1309.674
where: short stacking energy: -552.282
Base-Backbone interact. energy: -4.815
local terms energy: -572.030807
where:
bonds (distance) C4'-P energy: -109.274
bonds (distance) P-C4' energy: -106.569
flat angles C4'-P-C4' energy: -122.738
flat angles P-C4'-P energy: -81.695
tors. eta vs tors. theta energy: -151.755
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: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1851.292588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.292588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.292588 (E_RNA)
where:
Base-Base interactions energy: -1266.491
where: short stacking energy: -540.821
Base-Backbone interact. energy: -4.588
local terms energy: -580.214321
where:
bonds (distance) C4'-P energy: -107.777
bonds (distance) P-C4' energy: -112.715
flat angles C4'-P-C4' energy: -127.899
flat angles P-C4'-P energy: -76.031
tors. eta vs tors. theta energy: -155.792
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: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1647.439467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.439467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.439467 (E_RNA)
where:
Base-Base interactions energy: -1117.904
where: short stacking energy: -511.355
Base-Backbone interact. energy: -1.579
local terms energy: -527.956469
where:
bonds (distance) C4'-P energy: -95.776
bonds (distance) P-C4' energy: -107.568
flat angles C4'-P-C4' energy: -117.183
flat angles P-C4'-P energy: -72.112
tors. eta vs tors. theta energy: -135.317
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: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1545.857989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.857989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.857989 (E_RNA)
where:
Base-Base interactions energy: -1005.122
where: short stacking energy: -463.080
Base-Backbone interact. energy: -4.000
local terms energy: -536.736055
where:
bonds (distance) C4'-P energy: -96.303
bonds (distance) P-C4' energy: -105.841
flat angles C4'-P-C4' energy: -120.760
flat angles P-C4'-P energy: -78.207
tors. eta vs tors. theta energy: -135.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1390.563709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.563709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.563709 (E_RNA)
where:
Base-Base interactions energy: -935.020
where: short stacking energy: -389.200
Base-Backbone interact. energy: -3.787
local terms energy: -451.756912
where:
bonds (distance) C4'-P energy: -84.432
bonds (distance) P-C4' energy: -89.955
flat angles C4'-P-C4' energy: -101.469
flat angles P-C4'-P energy: -69.801
tors. eta vs tors. theta energy: -106.099
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: 2
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1119.053917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.053917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.053917 (E_RNA)
where:
Base-Base interactions energy: -698.189
where: short stacking energy: -281.160
Base-Backbone interact. energy: 1.841
local terms energy: -422.706060
where:
bonds (distance) C4'-P energy: -92.615
bonds (distance) P-C4' energy: -110.537
flat angles C4'-P-C4' energy: -99.838
flat angles P-C4'-P energy: -70.163
tors. eta vs tors. theta energy: -49.553
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: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1056.958392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.958392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.958392 (E_RNA)
where:
Base-Base interactions energy: -641.714
where: short stacking energy: -312.581
Base-Backbone interact. energy: 1.051
local terms energy: -416.295220
where:
bonds (distance) C4'-P energy: -95.499
bonds (distance) P-C4' energy: -97.612
flat angles C4'-P-C4' energy: -99.509
flat angles P-C4'-P energy: -67.220
tors. eta vs tors. theta energy: -56.455
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: 10
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -923.500161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.500161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.500161 (E_RNA)
where:
Base-Base interactions energy: -542.030
where: short stacking energy: -255.670
Base-Backbone interact. energy: -0.612
local terms energy: -380.858385
where:
bonds (distance) C4'-P energy: -78.991
bonds (distance) P-C4' energy: -100.088
flat angles C4'-P-C4' energy: -101.365
flat angles P-C4'-P energy: -58.976
tors. eta vs tors. theta energy: -41.438
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: 4
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -714.331609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.331609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.331609 (E_RNA)
where:
Base-Base interactions energy: -404.550
where: short stacking energy: -198.820
Base-Backbone interact. energy: 0.582
local terms energy: -310.363566
where:
bonds (distance) C4'-P energy: -63.402
bonds (distance) P-C4' energy: -104.527
flat angles C4'-P-C4' energy: -94.409
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -2061.361330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.361330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.361330 (E_RNA)
where:
Base-Base interactions energy: -1431.471
where: short stacking energy: -605.429
Base-Backbone interact. energy: -3.929
local terms energy: -625.961670
where:
bonds (distance) C4'-P energy: -120.990
bonds (distance) P-C4' energy: -118.772
flat angles C4'-P-C4' energy: -128.795
flat angles P-C4'-P energy: -87.173
tors. eta vs tors. theta energy: -170.233
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: 2, replica: 9
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1919.884292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.884292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.884292 (E_RNA)
where:
Base-Base interactions energy: -1331.437
where: short stacking energy: -543.176
Base-Backbone interact. energy: -0.423
local terms energy: -588.023822
where:
bonds (distance) C4'-P energy: -112.198
bonds (distance) P-C4' energy: -117.152
flat angles C4'-P-C4' energy: -134.606
flat angles P-C4'-P energy: -74.155
tors. eta vs tors. theta energy: -149.913
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: 8
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1879.862170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.862170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.862170 (E_RNA)
where:
Base-Base interactions energy: -1288.974
where: short stacking energy: -544.797
Base-Backbone interact. energy: 0.442
local terms energy: -591.330002
where:
bonds (distance) C4'-P energy: -115.290
bonds (distance) P-C4' energy: -106.802
flat angles C4'-P-C4' energy: -121.954
flat angles P-C4'-P energy: -89.170
tors. eta vs tors. theta energy: -158.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1661.205693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.205693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.205693 (E_RNA)
where:
Base-Base interactions energy: -1115.630
where: short stacking energy: -485.170
Base-Backbone interact. energy: -2.233
local terms energy: -543.343411
where:
bonds (distance) C4'-P energy: -95.105
bonds (distance) P-C4' energy: -108.026
flat angles C4'-P-C4' energy: -129.864
flat angles P-C4'-P energy: -76.527
tors. eta vs tors. theta energy: -133.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1577.813476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.813476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.813476 (E_RNA)
where:
Base-Base interactions energy: -1049.772
where: short stacking energy: -443.097
Base-Backbone interact. energy: -3.450
local terms energy: -524.591988
where:
bonds (distance) C4'-P energy: -106.702
bonds (distance) P-C4' energy: -99.357
flat angles C4'-P-C4' energy: -112.557
flat angles P-C4'-P energy: -84.463
tors. eta vs tors. theta energy: -121.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1350.391269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.391269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.391269 (E_RNA)
where:
Base-Base interactions energy: -895.622
where: short stacking energy: -398.085
Base-Backbone interact. energy: 2.452
local terms energy: -457.222035
where:
bonds (distance) C4'-P energy: -92.144
bonds (distance) P-C4' energy: -84.438
flat angles C4'-P-C4' energy: -121.596
flat angles P-C4'-P energy: -70.940
tors. eta vs tors. theta energy: -88.104
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: 2
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1071.433931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.433931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.433931 (E_RNA)
where:
Base-Base interactions energy: -655.105
where: short stacking energy: -292.262
Base-Backbone interact. energy: -2.977
local terms energy: -413.351592
where:
bonds (distance) C4'-P energy: -112.099
bonds (distance) P-C4' energy: -95.921
flat angles C4'-P-C4' energy: -99.089
flat angles P-C4'-P energy: -55.502
tors. eta vs tors. theta energy: -50.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -995.787161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.787161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.787161 (E_RNA)
where:
Base-Base interactions energy: -583.742
where: short stacking energy: -289.718
Base-Backbone interact. energy: -2.507
local terms energy: -409.537610
where:
bonds (distance) C4'-P energy: -87.982
bonds (distance) P-C4' energy: -106.064
flat angles C4'-P-C4' energy: -102.542
flat angles P-C4'-P energy: -57.614
tors. eta vs tors. theta energy: -55.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -898.355728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.355728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.355728 (E_RNA)
where:
Base-Base interactions energy: -527.322
where: short stacking energy: -241.126
Base-Backbone interact. energy: 1.436
local terms energy: -372.470129
where:
bonds (distance) C4'-P energy: -105.831
bonds (distance) P-C4' energy: -105.149
flat angles C4'-P-C4' energy: -73.561
flat angles P-C4'-P energy: -62.017
tors. eta vs tors. theta energy: -25.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -767.390120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.390120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.390120 (E_RNA)
where:
Base-Base interactions energy: -410.141
where: short stacking energy: -221.119
Base-Backbone interact. energy: -3.207
local terms energy: -354.041924
where:
bonds (distance) C4'-P energy: -92.649
bonds (distance) P-C4' energy: -96.422
flat angles C4'-P-C4' energy: -84.833
flat angles P-C4'-P energy: -60.478
tors. eta vs tors. theta energy: -19.660
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: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -2055.769239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.769239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.769239 (E_RNA)
where:
Base-Base interactions energy: -1414.168
where: short stacking energy: -615.684
Base-Backbone interact. energy: 0.985
local terms energy: -642.586130
where:
bonds (distance) C4'-P energy: -113.903
bonds (distance) P-C4' energy: -118.738
flat angles C4'-P-C4' energy: -140.559
flat angles P-C4'-P energy: -91.659
tors. eta vs tors. theta energy: -177.728
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: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -1908.408089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.408089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.408089 (E_RNA)
where:
Base-Base interactions energy: -1325.605
where: short stacking energy: -534.990
Base-Backbone interact. energy: -2.773
local terms energy: -580.029604
where:
bonds (distance) C4'-P energy: -103.818
bonds (distance) P-C4' energy: -113.652
flat angles C4'-P-C4' energy: -126.272
flat angles P-C4'-P energy: -88.442
tors. eta vs tors. theta energy: -147.845
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: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1892.856454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.856454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.856454 (E_RNA)
where:
Base-Base interactions energy: -1302.914
where: short stacking energy: -542.220
Base-Backbone interact. energy: -2.508
local terms energy: -587.434599
where:
bonds (distance) C4'-P energy: -109.345
bonds (distance) P-C4' energy: -107.040
flat angles C4'-P-C4' energy: -130.294
flat angles P-C4'-P energy: -87.182
tors. eta vs tors. theta energy: -153.574
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: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1628.618652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.618652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.618652 (E_RNA)
where:
Base-Base interactions energy: -1079.785
where: short stacking energy: -464.356
Base-Backbone interact. energy: -3.148
local terms energy: -545.685903
where:
bonds (distance) C4'-P energy: -101.185
bonds (distance) P-C4' energy: -110.420
flat angles C4'-P-C4' energy: -120.026
flat angles P-C4'-P energy: -77.627
tors. eta vs tors. theta energy: -136.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1605.427131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.427131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.427131 (E_RNA)
where:
Base-Base interactions energy: -1079.691
where: short stacking energy: -474.976
Base-Backbone interact. energy: -1.249
local terms energy: -524.486939
where:
bonds (distance) C4'-P energy: -99.498
bonds (distance) P-C4' energy: -119.475
flat angles C4'-P-C4' energy: -108.606
flat angles P-C4'-P energy: -69.034
tors. eta vs tors. theta energy: -127.874
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: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1365.406065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.406065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.406065 (E_RNA)
where:
Base-Base interactions energy: -910.385
where: short stacking energy: -399.091
Base-Backbone interact. energy: 0.344
local terms energy: -455.365835
where:
bonds (distance) C4'-P energy: -97.405
bonds (distance) P-C4' energy: -104.984
flat angles C4'-P-C4' energy: -101.287
flat angles P-C4'-P energy: -54.806
tors. eta vs tors. theta energy: -96.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1135.786284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.786284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.786284 (E_RNA)
where:
Base-Base interactions energy: -701.712
where: short stacking energy: -336.238
Base-Backbone interact. energy: 7.407
local terms energy: -441.481590
where:
bonds (distance) C4'-P energy: -100.361
bonds (distance) P-C4' energy: -94.821
flat angles C4'-P-C4' energy: -109.784
flat angles P-C4'-P energy: -65.902
tors. eta vs tors. theta energy: -70.614
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: 1
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -996.766442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.766442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.766442 (E_RNA)
where:
Base-Base interactions energy: -581.658
where: short stacking energy: -275.246
Base-Backbone interact. energy: -5.278
local terms energy: -409.830402
where:
bonds (distance) C4'-P energy: -88.503
bonds (distance) P-C4' energy: -111.986
flat angles C4'-P-C4' energy: -97.213
flat angles P-C4'-P energy: -64.713
tors. eta vs tors. theta energy: -47.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -887.904073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.904073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.904073 (E_RNA)
where:
Base-Base interactions energy: -537.211
where: short stacking energy: -244.265
Base-Backbone interact. energy: -2.505
local terms energy: -348.188505
where:
bonds (distance) C4'-P energy: -91.471
bonds (distance) P-C4' energy: -100.892
flat angles C4'-P-C4' energy: -84.406
flat angles P-C4'-P energy: -51.508
tors. eta vs tors. theta energy: -19.910
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: 4
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -722.153825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.153825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.153825 (E_RNA)
where:
Base-Base interactions energy: -402.657
where: short stacking energy: -202.973
Base-Backbone interact. energy: 7.784
local terms energy: -327.281391
where:
bonds (distance) C4'-P energy: -89.085
bonds (distance) P-C4' energy: -84.118
flat angles C4'-P-C4' energy: -95.816
flat angles P-C4'-P energy: -50.543
tors. eta vs tors. theta energy: -7.720
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: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -2057.526881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.526881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.526881 (E_RNA)
where:
Base-Base interactions energy: -1426.776
where: short stacking energy: -609.699
Base-Backbone interact. energy: -4.627
local terms energy: -626.123686
where:
bonds (distance) C4'-P energy: -128.696
bonds (distance) P-C4' energy: -124.000
flat angles C4'-P-C4' energy: -114.359
flat angles P-C4'-P energy: -82.552
tors. eta vs tors. theta energy: -176.517
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: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1896.075969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.075969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.075969 (E_RNA)
where:
Base-Base interactions energy: -1314.018
where: short stacking energy: -541.423
Base-Backbone interact. energy: -2.361
local terms energy: -579.697239
where:
bonds (distance) C4'-P energy: -108.024
bonds (distance) P-C4' energy: -110.876
flat angles C4'-P-C4' energy: -119.681
flat angles P-C4'-P energy: -85.362
tors. eta vs tors. theta energy: -155.754
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: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1904.298233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.298233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.298233 (E_RNA)
where:
Base-Base interactions energy: -1311.686
where: short stacking energy: -536.348
Base-Backbone interact. energy: -1.697
local terms energy: -590.915231
where:
bonds (distance) C4'-P energy: -101.187
bonds (distance) P-C4' energy: -117.901
flat angles C4'-P-C4' energy: -119.597
flat angles P-C4'-P energy: -91.335
tors. eta vs tors. theta energy: -160.896
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: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1668.165125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.165125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.165125 (E_RNA)
where:
Base-Base interactions energy: -1136.856
where: short stacking energy: -468.027
Base-Backbone interact. energy: -2.267
local terms energy: -529.042981
where:
bonds (distance) C4'-P energy: -101.150
bonds (distance) P-C4' energy: -119.953
flat angles C4'-P-C4' energy: -113.536
flat angles P-C4'-P energy: -63.741
tors. eta vs tors. theta energy: -130.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1568.603469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.603469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.603469 (E_RNA)
where:
Base-Base interactions energy: -1031.027
where: short stacking energy: -465.557
Base-Backbone interact. energy: -0.951
local terms energy: -536.624836
where:
bonds (distance) C4'-P energy: -111.288
bonds (distance) P-C4' energy: -100.286
flat angles C4'-P-C4' energy: -113.264
flat angles P-C4'-P energy: -85.376
tors. eta vs tors. theta energy: -126.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1385.964554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.964554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.964554 (E_RNA)
where:
Base-Base interactions energy: -909.710
where: short stacking energy: -388.417
Base-Backbone interact. energy: -4.783
local terms energy: -471.471548
where:
bonds (distance) C4'-P energy: -90.152
bonds (distance) P-C4' energy: -93.845
flat angles C4'-P-C4' energy: -112.293
flat angles P-C4'-P energy: -72.408
tors. eta vs tors. theta energy: -102.773
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: 2
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1228.451369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.451369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.451369 (E_RNA)
where:
Base-Base interactions energy: -822.391
where: short stacking energy: -388.149
Base-Backbone interact. energy: -1.028
local terms energy: -405.032934
where:
bonds (distance) C4'-P energy: -83.153
bonds (distance) P-C4' energy: -87.515
flat angles C4'-P-C4' energy: -88.207
flat angles P-C4'-P energy: -57.648
tors. eta vs tors. theta energy: -88.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1000.104239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.104239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.104239 (E_RNA)
where:
Base-Base interactions energy: -594.658
where: short stacking energy: -289.392
Base-Backbone interact. energy: 0.630
local terms energy: -406.075659
where:
bonds (distance) C4'-P energy: -79.129
bonds (distance) P-C4' energy: -101.838
flat angles C4'-P-C4' energy: -99.796
flat angles P-C4'-P energy: -71.280
tors. eta vs tors. theta energy: -54.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -860.462804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.462804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.462804 (E_RNA)
where:
Base-Base interactions energy: -502.841
where: short stacking energy: -241.458
Base-Backbone interact. energy: -1.328
local terms energy: -356.293698
where:
bonds (distance) C4'-P energy: -86.501
bonds (distance) P-C4' energy: -99.826
flat angles C4'-P-C4' energy: -74.094
flat angles P-C4'-P energy: -75.023
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -754.547711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.547711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.547711 (E_RNA)
where:
Base-Base interactions energy: -427.485
where: short stacking energy: -215.104
Base-Backbone interact. energy: 1.484
local terms energy: -328.546783
where:
bonds (distance) C4'-P energy: -100.461
bonds (distance) P-C4' energy: -69.461
flat angles C4'-P-C4' energy: -90.904
flat angles P-C4'-P energy: -50.000
tors. eta vs tors. theta energy: -17.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -2065.372841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.372841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.372841 (E_RNA)
where:
Base-Base interactions energy: -1447.597
where: short stacking energy: -582.733
Base-Backbone interact. energy: -1.390
local terms energy: -616.385956
where:
bonds (distance) C4'-P energy: -108.280
bonds (distance) P-C4' energy: -120.530
flat angles C4'-P-C4' energy: -135.716
flat angles P-C4'-P energy: -74.740
tors. eta vs tors. theta energy: -177.121
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: 9
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1919.589752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.589752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.589752 (E_RNA)
where:
Base-Base interactions energy: -1338.346
where: short stacking energy: -545.414
Base-Backbone interact. energy: -3.762
local terms energy: -577.481710
where:
bonds (distance) C4'-P energy: -110.248
bonds (distance) P-C4' energy: -116.265
flat angles C4'-P-C4' energy: -119.031
flat angles P-C4'-P energy: -88.143
tors. eta vs tors. theta energy: -143.795
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: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -1865.501767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.501767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.501767 (E_RNA)
where:
Base-Base interactions energy: -1274.040
where: short stacking energy: -533.796
Base-Backbone interact. energy: -3.589
local terms energy: -587.872665
where:
bonds (distance) C4'-P energy: -110.182
bonds (distance) P-C4' energy: -116.295
flat angles C4'-P-C4' energy: -126.985
flat angles P-C4'-P energy: -80.796
tors. eta vs tors. theta energy: -153.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1658.506052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.506052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.506052 (E_RNA)
where:
Base-Base interactions energy: -1155.468
where: short stacking energy: -499.167
Base-Backbone interact. energy: 1.185
local terms energy: -504.222676
where:
bonds (distance) C4'-P energy: -92.054
bonds (distance) P-C4' energy: -95.807
flat angles C4'-P-C4' energy: -124.825
flat angles P-C4'-P energy: -66.182
tors. eta vs tors. theta energy: -125.354
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: 5, replica: 5
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1595.391498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.391498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.391498 (E_RNA)
where:
Base-Base interactions energy: -1078.251
where: short stacking energy: -478.336
Base-Backbone interact. energy: -2.197
local terms energy: -514.943410
where:
bonds (distance) C4'-P energy: -90.505
bonds (distance) P-C4' energy: -101.511
flat angles C4'-P-C4' energy: -103.814
flat angles P-C4'-P energy: -81.753
tors. eta vs tors. theta energy: -137.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1349.130403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.130403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.130403 (E_RNA)
where:
Base-Base interactions energy: -881.035
where: short stacking energy: -392.699
Base-Backbone interact. energy: -3.834
local terms energy: -464.261613
where:
bonds (distance) C4'-P energy: -94.175
bonds (distance) P-C4' energy: -99.835
flat angles C4'-P-C4' energy: -114.125
flat angles P-C4'-P energy: -58.446
tors. eta vs tors. theta energy: -97.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1159.683862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.683862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.683862 (E_RNA)
where:
Base-Base interactions energy: -729.241
where: short stacking energy: -321.603
Base-Backbone interact. energy: -0.016
local terms energy: -430.427310
where:
bonds (distance) C4'-P energy: -101.521
bonds (distance) P-C4' energy: -95.096
flat angles C4'-P-C4' energy: -91.417
flat angles P-C4'-P energy: -63.181
tors. eta vs tors. theta energy: -79.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1040.698481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.698481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.698481 (E_RNA)
where:
Base-Base interactions energy: -633.794
where: short stacking energy: -320.993
Base-Backbone interact. energy: 1.993
local terms energy: -408.896992
where:
bonds (distance) C4'-P energy: -86.112
bonds (distance) P-C4' energy: -86.603
flat angles C4'-P-C4' energy: -94.321
flat angles P-C4'-P energy: -73.778
tors. eta vs tors. theta energy: -68.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -826.111857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.111857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.111857 (E_RNA)
where:
Base-Base interactions energy: -484.704
where: short stacking energy: -234.503
Base-Backbone interact. energy: 1.064
local terms energy: -342.471674
where:
bonds (distance) C4'-P energy: -95.956
bonds (distance) P-C4' energy: -87.432
flat angles C4'-P-C4' energy: -87.399
flat angles P-C4'-P energy: -47.214
tors. eta vs tors. theta energy: -24.470
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: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -749.338178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.338178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.338178 (E_RNA)
where:
Base-Base interactions energy: -432.569
where: short stacking energy: -213.639
Base-Backbone interact. energy: -0.378
local terms energy: -316.391354
where:
bonds (distance) C4'-P energy: -85.590
bonds (distance) P-C4' energy: -65.285
flat angles C4'-P-C4' energy: -90.460
flat angles P-C4'-P energy: -54.853
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -2044.994884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.994884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.994884 (E_RNA)
where:
Base-Base interactions energy: -1433.594
where: short stacking energy: -586.713
Base-Backbone interact. energy: -1.801
local terms energy: -609.600434
where:
bonds (distance) C4'-P energy: -110.866
bonds (distance) P-C4' energy: -111.652
flat angles C4'-P-C4' energy: -133.834
flat angles P-C4'-P energy: -81.914
tors. eta vs tors. theta energy: -171.335
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: 9
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1912.280262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.280262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.280262 (E_RNA)
where:
Base-Base interactions energy: -1330.446
where: short stacking energy: -547.816
Base-Backbone interact. energy: 0.832
local terms energy: -582.665932
where:
bonds (distance) C4'-P energy: -114.139
bonds (distance) P-C4' energy: -117.231
flat angles C4'-P-C4' energy: -111.860
flat angles P-C4'-P energy: -88.918
tors. eta vs tors. theta energy: -150.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -1879.164697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.164697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.164697 (E_RNA)
where:
Base-Base interactions energy: -1290.679
where: short stacking energy: -554.626
Base-Backbone interact. energy: -2.415
local terms energy: -586.071225
where:
bonds (distance) C4'-P energy: -108.876
bonds (distance) P-C4' energy: -102.538
flat angles C4'-P-C4' energy: -128.851
flat angles P-C4'-P energy: -82.213
tors. eta vs tors. theta energy: -163.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1703.186838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.186838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.186838 (E_RNA)
where:
Base-Base interactions energy: -1176.581
where: short stacking energy: -491.673
Base-Backbone interact. energy: 0.858
local terms energy: -527.463027
where:
bonds (distance) C4'-P energy: -116.567
bonds (distance) P-C4' energy: -95.895
flat angles C4'-P-C4' energy: -109.573
flat angles P-C4'-P energy: -70.375
tors. eta vs tors. theta energy: -135.053
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: 5
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1550.437389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.437389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.437389 (E_RNA)
where:
Base-Base interactions energy: -1045.187
where: short stacking energy: -450.714
Base-Backbone interact. energy: 1.133
local terms energy: -506.383220
where:
bonds (distance) C4'-P energy: -97.530
bonds (distance) P-C4' energy: -97.124
flat angles C4'-P-C4' energy: -106.268
flat angles P-C4'-P energy: -86.164
tors. eta vs tors. theta energy: -119.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1446.095856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.095856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.095856 (E_RNA)
where:
Base-Base interactions energy: -954.730
where: short stacking energy: -425.803
Base-Backbone interact. energy: -2.084
local terms energy: -489.281907
where:
bonds (distance) C4'-P energy: -101.107
bonds (distance) P-C4' energy: -94.135
flat angles C4'-P-C4' energy: -116.013
flat angles P-C4'-P energy: -65.817
tors. eta vs tors. theta energy: -112.210
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: 2
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1181.404357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.404357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.404357 (E_RNA)
where:
Base-Base interactions energy: -752.351
where: short stacking energy: -342.756
Base-Backbone interact. energy: -3.171
local terms energy: -425.881585
where:
bonds (distance) C4'-P energy: -90.123
bonds (distance) P-C4' energy: -104.428
flat angles C4'-P-C4' energy: -100.221
flat angles P-C4'-P energy: -60.847
tors. eta vs tors. theta energy: -70.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1008.536477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.536477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.536477 (E_RNA)
where:
Base-Base interactions energy: -587.404
where: short stacking energy: -273.931
Base-Backbone interact. energy: -0.964
local terms energy: -420.168228
where:
bonds (distance) C4'-P energy: -111.921
bonds (distance) P-C4' energy: -103.783
flat angles C4'-P-C4' energy: -96.287
flat angles P-C4'-P energy: -62.535
tors. eta vs tors. theta energy: -45.643
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: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -878.814106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.814106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.814106 (E_RNA)
where:
Base-Base interactions energy: -500.771
where: short stacking energy: -249.778
Base-Backbone interact. energy: -2.618
local terms energy: -375.424417
where:
bonds (distance) C4'-P energy: -97.826
bonds (distance) P-C4' energy: -104.541
flat angles C4'-P-C4' energy: -95.410
flat angles P-C4'-P energy: -37.404
tors. eta vs tors. theta energy: -40.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -726.182024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.182024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.182024 (E_RNA)
where:
Base-Base interactions energy: -404.422
where: short stacking energy: -203.730
Base-Backbone interact. energy: -0.528
local terms energy: -321.232167
where:
bonds (distance) C4'-P energy: -94.681
bonds (distance) P-C4' energy: -114.082
flat angles C4'-P-C4' energy: -65.071
flat angles P-C4'-P energy: -37.178
tors. eta vs tors. theta energy: -10.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -2031.605761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.605761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.605761 (E_RNA)
where:
Base-Base interactions energy: -1411.648
where: short stacking energy: -582.491
Base-Backbone interact. energy: -1.732
local terms energy: -618.225365
where:
bonds (distance) C4'-P energy: -117.695
bonds (distance) P-C4' energy: -113.229
flat angles C4'-P-C4' energy: -138.394
flat angles P-C4'-P energy: -78.129
tors. eta vs tors. theta energy: -170.778
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: 9
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1909.794873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.794873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.794873 (E_RNA)
where:
Base-Base interactions energy: -1323.396
where: short stacking energy: -565.845
Base-Backbone interact. energy: -1.158
local terms energy: -585.240474
where:
bonds (distance) C4'-P energy: -119.169
bonds (distance) P-C4' energy: -107.897
flat angles C4'-P-C4' energy: -129.925
flat angles P-C4'-P energy: -72.281
tors. eta vs tors. theta energy: -155.968
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: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1874.950560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.950560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.950560 (E_RNA)
where:
Base-Base interactions energy: -1304.035
where: short stacking energy: -535.519
Base-Backbone interact. energy: -4.896
local terms energy: -566.019568
where:
bonds (distance) C4'-P energy: -110.269
bonds (distance) P-C4' energy: -102.416
flat angles C4'-P-C4' energy: -122.147
flat angles P-C4'-P energy: -88.406
tors. eta vs tors. theta energy: -142.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1709.459387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.459387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.459387 (E_RNA)
where:
Base-Base interactions energy: -1134.900
where: short stacking energy: -493.631
Base-Backbone interact. energy: -0.735
local terms energy: -573.824656
where:
bonds (distance) C4'-P energy: -111.794
bonds (distance) P-C4' energy: -107.758
flat angles C4'-P-C4' energy: -121.087
flat angles P-C4'-P energy: -91.905
tors. eta vs tors. theta energy: -141.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1551.555456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.555456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.555456 (E_RNA)
where:
Base-Base interactions energy: -1035.284
where: short stacking energy: -448.858
Base-Backbone interact. energy: -2.688
local terms energy: -513.583805
where:
bonds (distance) C4'-P energy: -81.771
bonds (distance) P-C4' energy: -120.432
flat angles C4'-P-C4' energy: -112.154
flat angles P-C4'-P energy: -90.621
tors. eta vs tors. theta energy: -108.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1420.793993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.793993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.793993 (E_RNA)
where:
Base-Base interactions energy: -944.357
where: short stacking energy: -400.565
Base-Backbone interact. energy: -1.759
local terms energy: -474.677972
where:
bonds (distance) C4'-P energy: -101.869
bonds (distance) P-C4' energy: -100.222
flat angles C4'-P-C4' energy: -118.138
flat angles P-C4'-P energy: -61.244
tors. eta vs tors. theta energy: -93.205
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: 2
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1196.819308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.819308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.819308 (E_RNA)
where:
Base-Base interactions energy: -757.183
where: short stacking energy: -319.428
Base-Backbone interact. energy: -2.839
local terms energy: -436.797756
where:
bonds (distance) C4'-P energy: -99.005
bonds (distance) P-C4' energy: -112.819
flat angles C4'-P-C4' energy: -97.227
flat angles P-C4'-P energy: -64.267
tors. eta vs tors. theta energy: -63.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1066.302564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.302564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.302564 (E_RNA)
where:
Base-Base interactions energy: -672.997
where: short stacking energy: -321.187
Base-Backbone interact. energy: 0.195
local terms energy: -393.500490
where:
bonds (distance) C4'-P energy: -97.721
bonds (distance) P-C4' energy: -83.647
flat angles C4'-P-C4' energy: -93.895
flat angles P-C4'-P energy: -58.106
tors. eta vs tors. theta energy: -60.131
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: 4
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -867.083412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.083412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.083412 (E_RNA)
where:
Base-Base interactions energy: -502.683
where: short stacking energy: -228.318
Base-Backbone interact. energy: 1.248
local terms energy: -365.648835
where:
bonds (distance) C4'-P energy: -97.270
bonds (distance) P-C4' energy: -97.926
flat angles C4'-P-C4' energy: -82.273
flat angles P-C4'-P energy: -55.651
tors. eta vs tors. theta energy: -32.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -753.592197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.592197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.592197 (E_RNA)
where:
Base-Base interactions energy: -406.885
where: short stacking energy: -203.968
Base-Backbone interact. energy: 0.271
local terms energy: -346.978767
where:
bonds (distance) C4'-P energy: -101.040
bonds (distance) P-C4' energy: -104.292
flat angles C4'-P-C4' energy: -99.144
flat angles P-C4'-P energy: -41.052
tors. eta vs tors. theta energy: -1.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2050.585358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.585358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.585358 (E_RNA)
where:
Base-Base interactions energy: -1422.298
where: short stacking energy: -589.016
Base-Backbone interact. energy: 2.827
local terms energy: -631.114308
where:
bonds (distance) C4'-P energy: -122.944
bonds (distance) P-C4' energy: -124.371
flat angles C4'-P-C4' energy: -137.452
flat angles P-C4'-P energy: -80.925
tors. eta vs tors. theta energy: -165.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1939.897246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.897246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.897246 (E_RNA)
where:
Base-Base interactions energy: -1341.554
where: short stacking energy: -562.946
Base-Backbone interact. energy: 0.242
local terms energy: -598.585336
where:
bonds (distance) C4'-P energy: -122.147
bonds (distance) P-C4' energy: -112.412
flat angles C4'-P-C4' energy: -127.928
flat angles P-C4'-P energy: -81.593
tors. eta vs tors. theta energy: -154.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1854.855539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.855539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.855539 (E_RNA)
where:
Base-Base interactions energy: -1286.125
where: short stacking energy: -527.027
Base-Backbone interact. energy: -2.590
local terms energy: -566.140563
where:
bonds (distance) C4'-P energy: -93.648
bonds (distance) P-C4' energy: -117.008
flat angles C4'-P-C4' energy: -130.029
flat angles P-C4'-P energy: -77.900
tors. eta vs tors. theta energy: -147.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1587.073773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.073773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.073773 (E_RNA)
where:
Base-Base interactions energy: -1059.423
where: short stacking energy: -480.419
Base-Backbone interact. energy: 0.533
local terms energy: -528.183280
where:
bonds (distance) C4'-P energy: -112.821
bonds (distance) P-C4' energy: -108.756
flat angles C4'-P-C4' energy: -116.519
flat angles P-C4'-P energy: -72.223
tors. eta vs tors. theta energy: -117.865
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: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1630.458998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.458998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.458998 (E_RNA)
where:
Base-Base interactions energy: -1109.563
where: short stacking energy: -477.584
Base-Backbone interact. energy: -1.581
local terms energy: -519.314540
where:
bonds (distance) C4'-P energy: -86.381
bonds (distance) P-C4' energy: -95.537
flat angles C4'-P-C4' energy: -113.231
flat angles P-C4'-P energy: -85.271
tors. eta vs tors. theta energy: -138.895
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: 171
Temperature: 1.150000
Total energy: -1451.604748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.604748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.604748 (E_RNA)
where:
Base-Base interactions energy: -959.228
where: short stacking energy: -416.075
Base-Backbone interact. energy: -4.201
local terms energy: -488.175537
where:
bonds (distance) C4'-P energy: -91.678
bonds (distance) P-C4' energy: -104.261
flat angles C4'-P-C4' energy: -114.554
flat angles P-C4'-P energy: -75.489
tors. eta vs tors. theta energy: -102.195
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: 2
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1183.820295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.820295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.820295 (E_RNA)
where:
Base-Base interactions energy: -754.399
where: short stacking energy: -356.280
Base-Backbone interact. energy: 0.655
local terms energy: -430.076176
where:
bonds (distance) C4'-P energy: -84.854
bonds (distance) P-C4' energy: -101.034
flat angles C4'-P-C4' energy: -98.539
flat angles P-C4'-P energy: -66.873
tors. eta vs tors. theta energy: -78.776
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: 8, replica: 1
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -1031.455307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.455307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.455307 (E_RNA)
where:
Base-Base interactions energy: -605.215
where: short stacking energy: -307.321
Base-Backbone interact. energy: -0.382
local terms energy: -425.858695
where:
bonds (distance) C4'-P energy: -105.988
bonds (distance) P-C4' energy: -83.788
flat angles C4'-P-C4' energy: -112.626
flat angles P-C4'-P energy: -67.172
tors. eta vs tors. theta energy: -56.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -819.662724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.662724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.662724 (E_RNA)
where:
Base-Base interactions energy: -476.312
where: short stacking energy: -248.967
Base-Backbone interact. energy: 5.672
local terms energy: -349.022584
where:
bonds (distance) C4'-P energy: -100.681
bonds (distance) P-C4' energy: -92.022
flat angles C4'-P-C4' energy: -86.163
flat angles P-C4'-P energy: -48.111
tors. eta vs tors. theta energy: -22.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -734.176157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.176157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.176157 (E_RNA)
where:
Base-Base interactions energy: -417.797
where: short stacking energy: -192.044
Base-Backbone interact. energy: -2.325
local terms energy: -314.055058
where:
bonds (distance) C4'-P energy: -87.347
bonds (distance) P-C4' energy: -90.062
flat angles C4'-P-C4' energy: -93.675
flat angles P-C4'-P energy: -39.329
tors. eta vs tors. theta energy: -3.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -2064.146576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.146576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.146576 (E_RNA)
where:
Base-Base interactions energy: -1439.999
where: short stacking energy: -594.965
Base-Backbone interact. energy: -1.393
local terms energy: -622.754328
where:
bonds (distance) C4'-P energy: -118.350
bonds (distance) P-C4' energy: -116.028
flat angles C4'-P-C4' energy: -131.228
flat angles P-C4'-P energy: -82.190
tors. eta vs tors. theta energy: -174.958
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: 8
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1943.728727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.728727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.728727 (E_RNA)
where:
Base-Base interactions energy: -1312.022
where: short stacking energy: -548.421
Base-Backbone interact. energy: -0.834
local terms energy: -630.871906
where:
bonds (distance) C4'-P energy: -119.199
bonds (distance) P-C4' energy: -123.873
flat angles C4'-P-C4' energy: -120.942
flat angles P-C4'-P energy: -99.476
tors. eta vs tors. theta energy: -167.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -1865.414794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.414794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.414794 (E_RNA)
where:
Base-Base interactions energy: -1295.934
where: short stacking energy: -541.464
Base-Backbone interact. energy: -3.148
local terms energy: -566.332565
where:
bonds (distance) C4'-P energy: -112.898
bonds (distance) P-C4' energy: -109.638
flat angles C4'-P-C4' energy: -116.924
flat angles P-C4'-P energy: -79.468
tors. eta vs tors. theta energy: -147.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1582.150189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.150189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.150189 (E_RNA)
where:
Base-Base interactions energy: -1053.368
where: short stacking energy: -485.447
Base-Backbone interact. energy: -3.117
local terms energy: -525.664677
where:
bonds (distance) C4'-P energy: -87.962
bonds (distance) P-C4' energy: -111.611
flat angles C4'-P-C4' energy: -115.958
flat angles P-C4'-P energy: -81.178
tors. eta vs tors. theta energy: -128.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1609.054313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.054313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.054313 (E_RNA)
where:
Base-Base interactions energy: -1088.029
where: short stacking energy: -464.286
Base-Backbone interact. energy: -1.023
local terms energy: -520.002541
where:
bonds (distance) C4'-P energy: -102.800
bonds (distance) P-C4' energy: -109.228
flat angles C4'-P-C4' energy: -106.379
flat angles P-C4'-P energy: -72.829
tors. eta vs tors. theta energy: -128.767
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: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1387.659958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.659958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.659958 (E_RNA)
where:
Base-Base interactions energy: -904.058
where: short stacking energy: -384.260
Base-Backbone interact. energy: -1.602
local terms energy: -481.999883
where:
bonds (distance) C4'-P energy: -97.727
bonds (distance) P-C4' energy: -108.309
flat angles C4'-P-C4' energy: -99.789
flat angles P-C4'-P energy: -72.807
tors. eta vs tors. theta energy: -103.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1132.099222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.099222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.099222 (E_RNA)
where:
Base-Base interactions energy: -690.019
where: short stacking energy: -338.825
Base-Backbone interact. energy: -1.576
local terms energy: -440.504115
where:
bonds (distance) C4'-P energy: -89.649
bonds (distance) P-C4' energy: -108.107
flat angles C4'-P-C4' energy: -105.532
flat angles P-C4'-P energy: -62.116
tors. eta vs tors. theta energy: -75.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -958.797262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.797262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.797262 (E_RNA)
where:
Base-Base interactions energy: -578.711
where: short stacking energy: -286.429
Base-Backbone interact. energy: 7.760
local terms energy: -387.846374
where:
bonds (distance) C4'-P energy: -81.913
bonds (distance) P-C4' energy: -94.035
flat angles C4'-P-C4' energy: -104.137
flat angles P-C4'-P energy: -63.730
tors. eta vs tors. theta energy: -44.031
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: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -807.515474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.515474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.515474 (E_RNA)
where:
Base-Base interactions energy: -456.913
where: short stacking energy: -241.307
Base-Backbone interact. energy: -1.226
local terms energy: -349.376045
where:
bonds (distance) C4'-P energy: -100.673
bonds (distance) P-C4' energy: -98.739
flat angles C4'-P-C4' energy: -71.954
flat angles P-C4'-P energy: -55.566
tors. eta vs tors. theta energy: -22.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -655.464510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.464510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.464510 (E_RNA)
where:
Base-Base interactions energy: -336.599
where: short stacking energy: -194.326
Base-Backbone interact. energy: -1.087
local terms energy: -317.778832
where:
bonds (distance) C4'-P energy: -93.960
bonds (distance) P-C4' energy: -108.451
flat angles C4'-P-C4' energy: -70.263
flat angles P-C4'-P energy: -39.883
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -2056.489298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2056.489298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2056.489298 (E_RNA)
where:
Base-Base interactions energy: -1426.463
where: short stacking energy: -573.669
Base-Backbone interact. energy: -3.186
local terms energy: -626.840324
where:
bonds (distance) C4'-P energy: -116.929
bonds (distance) P-C4' energy: -120.913
flat angles C4'-P-C4' energy: -126.062
flat angles P-C4'-P energy: -95.947
tors. eta vs tors. theta energy: -166.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1936.590158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.590158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.590158 (E_RNA)
where:
Base-Base interactions energy: -1323.317
where: short stacking energy: -591.951
Base-Backbone interact. energy: -1.192
local terms energy: -612.080237
where:
bonds (distance) C4'-P energy: -109.165
bonds (distance) P-C4' energy: -120.022
flat angles C4'-P-C4' energy: -132.553
flat angles P-C4'-P energy: -89.133
tors. eta vs tors. theta energy: -161.207
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: 9
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -1871.795879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.795879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.795879 (E_RNA)
where:
Base-Base interactions energy: -1291.135
where: short stacking energy: -529.328
Base-Backbone interact. energy: 4.722
local terms energy: -585.383065
where:
bonds (distance) C4'-P energy: -115.488
bonds (distance) P-C4' energy: -116.604
flat angles C4'-P-C4' energy: -128.417
flat angles P-C4'-P energy: -78.006
tors. eta vs tors. theta energy: -146.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1703.307356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.307356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.307356 (E_RNA)
where:
Base-Base interactions energy: -1155.216
where: short stacking energy: -485.597
Base-Backbone interact. energy: -1.957
local terms energy: -546.134819
where:
bonds (distance) C4'-P energy: -105.779
bonds (distance) P-C4' energy: -109.545
flat angles C4'-P-C4' energy: -113.990
flat angles P-C4'-P energy: -69.068
tors. eta vs tors. theta energy: -147.753
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: 5, replica: 5
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1565.980738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.980738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.980738 (E_RNA)
where:
Base-Base interactions energy: -1024.882
where: short stacking energy: -473.775
Base-Backbone interact. energy: -3.410
local terms energy: -537.687924
where:
bonds (distance) C4'-P energy: -100.364
bonds (distance) P-C4' energy: -111.964
flat angles C4'-P-C4' energy: -112.020
flat angles P-C4'-P energy: -87.234
tors. eta vs tors. theta energy: -126.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1337.890603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.890603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.890603 (E_RNA)
where:
Base-Base interactions energy: -895.820
where: short stacking energy: -391.705
Base-Backbone interact. energy: -0.130
local terms energy: -441.939920
where:
bonds (distance) C4'-P energy: -81.769
bonds (distance) P-C4' energy: -98.678
flat angles C4'-P-C4' energy: -111.661
flat angles P-C4'-P energy: -72.190
tors. eta vs tors. theta energy: -77.641
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: 173
Temperature: 1.200000
Total energy: -964.404583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.404583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.404583 (E_RNA)
where:
Base-Base interactions energy: -554.549
where: short stacking energy: -281.260
Base-Backbone interact. energy: 2.018
local terms energy: -411.872974
where:
bonds (distance) C4'-P energy: -96.850
bonds (distance) P-C4' energy: -109.576
flat angles C4'-P-C4' energy: -88.242
flat angles P-C4'-P energy: -57.568
tors. eta vs tors. theta energy: -59.637
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: 1
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -972.571833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.571833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.571833 (E_RNA)
where:
Base-Base interactions energy: -568.796
where: short stacking energy: -287.938
Base-Backbone interact. energy: -3.890
local terms energy: -399.885474
where:
bonds (distance) C4'-P energy: -99.788
bonds (distance) P-C4' energy: -118.992
flat angles C4'-P-C4' energy: -87.471
flat angles P-C4'-P energy: -50.509
tors. eta vs tors. theta energy: -43.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -832.393489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.393489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.393489 (E_RNA)
where:
Base-Base interactions energy: -498.323
where: short stacking energy: -227.322
Base-Backbone interact. energy: 0.817
local terms energy: -334.887944
where:
bonds (distance) C4'-P energy: -84.803
bonds (distance) P-C4' energy: -122.551
flat angles C4'-P-C4' energy: -76.272
flat angles P-C4'-P energy: -43.725
tors. eta vs tors. theta energy: -7.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -679.842616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.842616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.842616 (E_RNA)
where:
Base-Base interactions energy: -371.879
where: short stacking energy: -202.376
Base-Backbone interact. energy: 3.529
local terms energy: -311.492644
where:
bonds (distance) C4'-P energy: -93.233
bonds (distance) P-C4' energy: -90.632
flat angles C4'-P-C4' energy: -89.154
flat angles P-C4'-P energy: -43.049
tors. eta vs tors. theta energy: 4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -2064.292285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.292285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.292285 (E_RNA)
where:
Base-Base interactions energy: -1426.124
where: short stacking energy: -574.358
Base-Backbone interact. energy: -2.727
local terms energy: -635.441553
where:
bonds (distance) C4'-P energy: -116.086
bonds (distance) P-C4' energy: -130.466
flat angles C4'-P-C4' energy: -134.798
flat angles P-C4'-P energy: -84.313
tors. eta vs tors. theta energy: -169.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1927.738531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.738531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.738531 (E_RNA)
where:
Base-Base interactions energy: -1324.787
where: short stacking energy: -543.285
Base-Backbone interact. energy: -0.159
local terms energy: -602.791826
where:
bonds (distance) C4'-P energy: -113.072
bonds (distance) P-C4' energy: -124.295
flat angles C4'-P-C4' energy: -123.115
flat angles P-C4'-P energy: -74.394
tors. eta vs tors. theta energy: -167.916
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: 9
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1881.635275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.635275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.635275 (E_RNA)
where:
Base-Base interactions energy: -1303.492
where: short stacking energy: -561.009
Base-Backbone interact. energy: -3.200
local terms energy: -574.943310
where:
bonds (distance) C4'-P energy: -114.380
bonds (distance) P-C4' energy: -99.250
flat angles C4'-P-C4' energy: -129.475
flat angles P-C4'-P energy: -71.766
tors. eta vs tors. theta energy: -160.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1725.337889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.337889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.337889 (E_RNA)
where:
Base-Base interactions energy: -1145.145
where: short stacking energy: -487.588
Base-Backbone interact. energy: 0.576
local terms energy: -580.768396
where:
bonds (distance) C4'-P energy: -117.092
bonds (distance) P-C4' energy: -108.974
flat angles C4'-P-C4' energy: -120.327
flat angles P-C4'-P energy: -82.907
tors. eta vs tors. theta energy: -151.468
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: 5
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1580.998969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.998969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.998969 (E_RNA)
where:
Base-Base interactions energy: -1072.042
where: short stacking energy: -463.241
Base-Backbone interact. energy: -0.003
local terms energy: -508.953886
where:
bonds (distance) C4'-P energy: -97.912
bonds (distance) P-C4' energy: -102.672
flat angles C4'-P-C4' energy: -109.601
flat angles P-C4'-P energy: -81.210
tors. eta vs tors. theta energy: -117.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1390.192135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.192135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.192135 (E_RNA)
where:
Base-Base interactions energy: -917.870
where: short stacking energy: -411.876
Base-Backbone interact. energy: -0.085
local terms energy: -472.237180
where:
bonds (distance) C4'-P energy: -110.028
bonds (distance) P-C4' energy: -114.502
flat angles C4'-P-C4' energy: -88.897
flat angles P-C4'-P energy: -51.273
tors. eta vs tors. theta energy: -107.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1094.885328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.885328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.885328 (E_RNA)
where:
Base-Base interactions energy: -686.239
where: short stacking energy: -315.303
Base-Backbone interact. energy: 3.792
local terms energy: -412.437465
where:
bonds (distance) C4'-P energy: -83.533
bonds (distance) P-C4' energy: -96.631
flat angles C4'-P-C4' energy: -109.407
flat angles P-C4'-P energy: -55.065
tors. eta vs tors. theta energy: -67.802
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: 1
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -978.435331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.435331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.435331 (E_RNA)
where:
Base-Base interactions energy: -594.595
where: short stacking energy: -279.669
Base-Backbone interact. energy: 0.056
local terms energy: -383.896617
where:
bonds (distance) C4'-P energy: -100.111
bonds (distance) P-C4' energy: -82.772
flat angles C4'-P-C4' energy: -83.554
flat angles P-C4'-P energy: -66.137
tors. eta vs tors. theta energy: -51.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -825.765206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.765206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.765206 (E_RNA)
where:
Base-Base interactions energy: -509.257
where: short stacking energy: -251.956
Base-Backbone interact. energy: -0.129
local terms energy: -316.379141
where:
bonds (distance) C4'-P energy: -74.659
bonds (distance) P-C4' energy: -81.089
flat angles C4'-P-C4' energy: -85.109
flat angles P-C4'-P energy: -44.332
tors. eta vs tors. theta energy: -31.191
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: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -685.413747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.413747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.413747 (E_RNA)
where:
Base-Base interactions energy: -352.612
where: short stacking energy: -199.185
Base-Backbone interact. energy: -1.692
local terms energy: -331.109183
where:
bonds (distance) C4'-P energy: -90.462
bonds (distance) P-C4' energy: -100.483
flat angles C4'-P-C4' energy: -85.429
flat angles P-C4'-P energy: -50.217
tors. eta vs tors. theta energy: -4.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -2059.093894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.093894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.093894 (E_RNA)
where:
Base-Base interactions energy: -1440.107
where: short stacking energy: -571.785
Base-Backbone interact. energy: -2.180
local terms energy: -616.806754
where:
bonds (distance) C4'-P energy: -114.816
bonds (distance) P-C4' energy: -119.893
flat angles C4'-P-C4' energy: -124.005
flat angles P-C4'-P energy: -84.619
tors. eta vs tors. theta energy: -173.474
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: 8
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1906.939601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.939601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.939601 (E_RNA)
where:
Base-Base interactions energy: -1307.950
where: short stacking energy: -541.934
Base-Backbone interact. energy: -2.814
local terms energy: -596.175599
where:
bonds (distance) C4'-P energy: -116.917
bonds (distance) P-C4' energy: -115.480
flat angles C4'-P-C4' energy: -128.879
flat angles P-C4'-P energy: -77.771
tors. eta vs tors. theta energy: -157.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -1863.950593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.950593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.950593 (E_RNA)
where:
Base-Base interactions energy: -1302.740
where: short stacking energy: -576.475
Base-Backbone interact. energy: -2.776
local terms energy: -558.435193
where:
bonds (distance) C4'-P energy: -111.493
bonds (distance) P-C4' energy: -91.534
flat angles C4'-P-C4' energy: -118.341
flat angles P-C4'-P energy: -85.097
tors. eta vs tors. theta energy: -151.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1727.758466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.758466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.758466 (E_RNA)
where:
Base-Base interactions energy: -1169.145
where: short stacking energy: -523.416
Base-Backbone interact. energy: 2.621
local terms energy: -561.233882
where:
bonds (distance) C4'-P energy: -108.190
bonds (distance) P-C4' energy: -108.087
flat angles C4'-P-C4' energy: -103.198
flat angles P-C4'-P energy: -86.476
tors. eta vs tors. theta energy: -155.282
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: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1581.617572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.617572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.617572 (E_RNA)
where:
Base-Base interactions energy: -1055.618
where: short stacking energy: -451.847
Base-Backbone interact. energy: 2.364
local terms energy: -528.364032
where:
bonds (distance) C4'-P energy: -102.763
bonds (distance) P-C4' energy: -114.603
flat angles C4'-P-C4' energy: -117.925
flat angles P-C4'-P energy: -72.579
tors. eta vs tors. theta energy: -120.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1385.369115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.369115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.369115 (E_RNA)
where:
Base-Base interactions energy: -900.020
where: short stacking energy: -392.195
Base-Backbone interact. energy: -2.261
local terms energy: -483.088233
where:
bonds (distance) C4'-P energy: -93.873
bonds (distance) P-C4' energy: -117.294
flat angles C4'-P-C4' energy: -109.638
flat angles P-C4'-P energy: -67.794
tors. eta vs tors. theta energy: -94.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1110.166443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.166443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.166443 (E_RNA)
where:
Base-Base interactions energy: -689.653
where: short stacking energy: -313.090
Base-Backbone interact. energy: 1.130
local terms energy: -421.642974
where:
bonds (distance) C4'-P energy: -97.482
bonds (distance) P-C4' energy: -102.935
flat angles C4'-P-C4' energy: -91.809
flat angles P-C4'-P energy: -56.781
tors. eta vs tors. theta energy: -72.637
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: 1
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -965.664386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.664386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.664386 (E_RNA)
where:
Base-Base interactions energy: -576.001
where: short stacking energy: -294.186
Base-Backbone interact. energy: 0.188
local terms energy: -389.851249
where:
bonds (distance) C4'-P energy: -87.687
bonds (distance) P-C4' energy: -97.358
flat angles C4'-P-C4' energy: -81.185
flat angles P-C4'-P energy: -75.844
tors. eta vs tors. theta energy: -47.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -858.723348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.723348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.723348 (E_RNA)
where:
Base-Base interactions energy: -527.791
where: short stacking energy: -245.727
Base-Backbone interact. energy: 2.226
local terms energy: -333.158887
where:
bonds (distance) C4'-P energy: -103.469
bonds (distance) P-C4' energy: -91.722
flat angles C4'-P-C4' energy: -66.992
flat angles P-C4'-P energy: -61.266
tors. eta vs tors. theta energy: -9.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -643.128496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.128496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.128496 (E_RNA)
where:
Base-Base interactions energy: -346.334
where: short stacking energy: -168.921
Base-Backbone interact. energy: 0.649
local terms energy: -297.443728
where:
bonds (distance) C4'-P energy: -89.737
bonds (distance) P-C4' energy: -100.639
flat angles C4'-P-C4' energy: -77.316
flat angles P-C4'-P energy: -25.510
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -2075.774777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.774777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.774777 (E_RNA)
where:
Base-Base interactions energy: -1446.055
where: short stacking energy: -595.552
Base-Backbone interact. energy: -1.983
local terms energy: -627.736554
where:
bonds (distance) C4'-P energy: -123.360
bonds (distance) P-C4' energy: -118.612
flat angles C4'-P-C4' energy: -125.499
flat angles P-C4'-P energy: -91.002
tors. eta vs tors. theta energy: -169.264
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: 8
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1934.753269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.753269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.753269 (E_RNA)
where:
Base-Base interactions energy: -1331.744
where: short stacking energy: -561.643
Base-Backbone interact. energy: -1.551
local terms energy: -601.457924
where:
bonds (distance) C4'-P energy: -104.249
bonds (distance) P-C4' energy: -116.322
flat angles C4'-P-C4' energy: -124.701
flat angles P-C4'-P energy: -81.490
tors. eta vs tors. theta energy: -174.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1881.394455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.394455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.394455 (E_RNA)
where:
Base-Base interactions energy: -1328.205
where: short stacking energy: -574.476
Base-Backbone interact. energy: -0.702
local terms energy: -552.487410
where:
bonds (distance) C4'-P energy: -74.092
bonds (distance) P-C4' energy: -111.632
flat angles C4'-P-C4' energy: -130.311
flat angles P-C4'-P energy: -72.726
tors. eta vs tors. theta energy: -163.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1734.959998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.959998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.959998 (E_RNA)
where:
Base-Base interactions energy: -1162.756
where: short stacking energy: -503.653
Base-Backbone interact. energy: -0.953
local terms energy: -571.251150
where:
bonds (distance) C4'-P energy: -101.487
bonds (distance) P-C4' energy: -120.154
flat angles C4'-P-C4' energy: -128.067
flat angles P-C4'-P energy: -76.520
tors. eta vs tors. theta energy: -145.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1578.757650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.757650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.757650 (E_RNA)
where:
Base-Base interactions energy: -1057.479
where: short stacking energy: -467.497
Base-Backbone interact. energy: -1.880
local terms energy: -519.398366
where:
bonds (distance) C4'-P energy: -94.832
bonds (distance) P-C4' energy: -92.295
flat angles C4'-P-C4' energy: -128.501
flat angles P-C4'-P energy: -78.470
tors. eta vs tors. theta energy: -125.300
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: 3
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1338.053146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.053146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.053146 (E_RNA)
where:
Base-Base interactions energy: -860.677
where: short stacking energy: -379.499
Base-Backbone interact. energy: 0.668
local terms energy: -478.043672
where:
bonds (distance) C4'-P energy: -98.776
bonds (distance) P-C4' energy: -115.746
flat angles C4'-P-C4' energy: -107.377
flat angles P-C4'-P energy: -68.030
tors. eta vs tors. theta energy: -88.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1171.504529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.504529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.504529 (E_RNA)
where:
Base-Base interactions energy: -750.308
where: short stacking energy: -353.600
Base-Backbone interact. energy: -0.526
local terms energy: -420.671021
where:
bonds (distance) C4'-P energy: -88.233
bonds (distance) P-C4' energy: -93.511
flat angles C4'-P-C4' energy: -107.736
flat angles P-C4'-P energy: -53.711
tors. eta vs tors. theta energy: -77.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1026.464817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.464817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.464817 (E_RNA)
where:
Base-Base interactions energy: -609.939
where: short stacking energy: -297.692
Base-Backbone interact. energy: 1.094
local terms energy: -417.619598
where:
bonds (distance) C4'-P energy: -102.018
bonds (distance) P-C4' energy: -111.306
flat angles C4'-P-C4' energy: -101.867
flat angles P-C4'-P energy: -62.056
tors. eta vs tors. theta energy: -40.373
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: 4
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -857.423967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.423967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.423967 (E_RNA)
where:
Base-Base interactions energy: -506.820
where: short stacking energy: -226.531
Base-Backbone interact. energy: -1.332
local terms energy: -349.271920
where:
bonds (distance) C4'-P energy: -100.209
bonds (distance) P-C4' energy: -107.389
flat angles C4'-P-C4' energy: -69.023
flat angles P-C4'-P energy: -61.659
tors. eta vs tors. theta energy: -10.993
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: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -540.207612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.207612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.207612 (E_RNA)
where:
Base-Base interactions energy: -276.216
where: short stacking energy: -155.007
Base-Backbone interact. energy: -1.014
local terms energy: -262.977832
where:
bonds (distance) C4'-P energy: -76.557
bonds (distance) P-C4' energy: -98.912
flat angles C4'-P-C4' energy: -71.736
flat angles P-C4'-P energy: -44.277
tors. eta vs tors. theta energy: 28.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -2020.226083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.226083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.226083 (E_RNA)
where:
Base-Base interactions energy: -1415.904
where: short stacking energy: -575.984
Base-Backbone interact. energy: -1.950
local terms energy: -602.372267
where:
bonds (distance) C4'-P energy: -114.721
bonds (distance) P-C4' energy: -118.604
flat angles C4'-P-C4' energy: -127.745
flat angles P-C4'-P energy: -79.583
tors. eta vs tors. theta energy: -161.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1921.229914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.229914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.229914 (E_RNA)
where:
Base-Base interactions energy: -1327.903
where: short stacking energy: -578.225
Base-Backbone interact. energy: 0.737
local terms energy: -594.063984
where:
bonds (distance) C4'-P energy: -104.763
bonds (distance) P-C4' energy: -115.040
flat angles C4'-P-C4' energy: -129.734
flat angles P-C4'-P energy: -84.483
tors. eta vs tors. theta energy: -160.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1868.824314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.824314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.824314 (E_RNA)
where:
Base-Base interactions energy: -1275.108
where: short stacking energy: -539.209
Base-Backbone interact. energy: 4.317
local terms energy: -598.033485
where:
bonds (distance) C4'-P energy: -109.707
bonds (distance) P-C4' energy: -123.315
flat angles C4'-P-C4' energy: -134.189
flat angles P-C4'-P energy: -81.202
tors. eta vs tors. theta energy: -149.622
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: 6
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1726.604833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.604833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.604833 (E_RNA)
where:
Base-Base interactions energy: -1176.390
where: short stacking energy: -501.839
Base-Backbone interact. energy: -1.009
local terms energy: -549.205097
where:
bonds (distance) C4'-P energy: -108.337
bonds (distance) P-C4' energy: -101.295
flat angles C4'-P-C4' energy: -118.513
flat angles P-C4'-P energy: -69.860
tors. eta vs tors. theta energy: -151.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1582.537216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.537216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.537216 (E_RNA)
where:
Base-Base interactions energy: -1051.479
where: short stacking energy: -475.356
Base-Backbone interact. energy: 0.304
local terms energy: -531.361946
where:
bonds (distance) C4'-P energy: -97.838
bonds (distance) P-C4' energy: -112.297
flat angles C4'-P-C4' energy: -111.295
flat angles P-C4'-P energy: -79.317
tors. eta vs tors. theta energy: -130.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1332.578076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.578076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.578076 (E_RNA)
where:
Base-Base interactions energy: -871.674
where: short stacking energy: -391.490
Base-Backbone interact. energy: -1.121
local terms energy: -459.783594
where:
bonds (distance) C4'-P energy: -94.153
bonds (distance) P-C4' energy: -104.772
flat angles C4'-P-C4' energy: -107.041
flat angles P-C4'-P energy: -58.096
tors. eta vs tors. theta energy: -95.721
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: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1127.281456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.281456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.281456 (E_RNA)
where:
Base-Base interactions energy: -732.665
where: short stacking energy: -311.974
Base-Backbone interact. energy: 0.931
local terms energy: -395.547962
where:
bonds (distance) C4'-P energy: -79.861
bonds (distance) P-C4' energy: -100.950
flat angles C4'-P-C4' energy: -94.902
flat angles P-C4'-P energy: -63.741
tors. eta vs tors. theta energy: -56.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -924.999592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.999592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.999592 (E_RNA)
where:
Base-Base interactions energy: -503.386
where: short stacking energy: -246.079
Base-Backbone interact. energy: 4.610
local terms energy: -426.223408
where:
bonds (distance) C4'-P energy: -105.388
bonds (distance) P-C4' energy: -111.734
flat angles C4'-P-C4' energy: -96.182
flat angles P-C4'-P energy: -68.077
tors. eta vs tors. theta energy: -44.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -895.307218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.307218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.307218 (E_RNA)
where:
Base-Base interactions energy: -558.862
where: short stacking energy: -272.879
Base-Backbone interact. energy: 10.590
local terms energy: -347.035546
where:
bonds (distance) C4'-P energy: -81.254
bonds (distance) P-C4' energy: -98.539
flat angles C4'-P-C4' energy: -75.400
flat angles P-C4'-P energy: -66.542
tors. eta vs tors. theta energy: -25.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -538.972992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.972992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.972992 (E_RNA)
where:
Base-Base interactions energy: -227.690
where: short stacking energy: -119.393
Base-Backbone interact. energy: -0.889
local terms energy: -310.394536
where:
bonds (distance) C4'-P energy: -81.159
bonds (distance) P-C4' energy: -96.463
flat angles C4'-P-C4' energy: -94.893
flat angles P-C4'-P energy: -62.336
tors. eta vs tors. theta energy: 24.456
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: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -2048.531210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.531210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.531210 (E_RNA)
where:
Base-Base interactions energy: -1434.800
where: short stacking energy: -585.790
Base-Backbone interact. energy: -2.439
local terms energy: -611.292495
where:
bonds (distance) C4'-P energy: -112.637
bonds (distance) P-C4' energy: -111.293
flat angles C4'-P-C4' energy: -130.220
flat angles P-C4'-P energy: -90.485
tors. eta vs tors. theta energy: -166.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1926.320108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.320108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.320108 (E_RNA)
where:
Base-Base interactions energy: -1308.168
where: short stacking energy: -546.055
Base-Backbone interact. energy: -7.480
local terms energy: -610.671899
where:
bonds (distance) C4'-P energy: -111.516
bonds (distance) P-C4' energy: -128.336
flat angles C4'-P-C4' energy: -119.168
flat angles P-C4'-P energy: -88.125
tors. eta vs tors. theta energy: -163.526
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: 178
Temperature: 1.000000
Total energy: -1871.913267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.913267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.913267 (E_RNA)
where:
Base-Base interactions energy: -1297.341
where: short stacking energy: -547.231
Base-Backbone interact. energy: 5.391
local terms energy: -579.963117
where:
bonds (distance) C4'-P energy: -111.749
bonds (distance) P-C4' energy: -105.248
flat angles C4'-P-C4' energy: -130.153
flat angles P-C4'-P energy: -86.163
tors. eta vs tors. theta energy: -146.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -1733.949620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.949620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.949620 (E_RNA)
where:
Base-Base interactions energy: -1187.468
where: short stacking energy: -503.882
Base-Backbone interact. energy: -2.044
local terms energy: -544.437678
where:
bonds (distance) C4'-P energy: -106.213
bonds (distance) P-C4' energy: -101.639
flat angles C4'-P-C4' energy: -110.872
flat angles P-C4'-P energy: -83.341
tors. eta vs tors. theta energy: -142.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1563.040439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.040439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.040439 (E_RNA)
where:
Base-Base interactions energy: -1071.771
where: short stacking energy: -462.395
Base-Backbone interact. energy: 4.861
local terms energy: -496.131027
where:
bonds (distance) C4'-P energy: -102.884
bonds (distance) P-C4' energy: -104.881
flat angles C4'-P-C4' energy: -103.948
flat angles P-C4'-P energy: -72.723
tors. eta vs tors. theta energy: -111.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1380.349389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.349389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.349389 (E_RNA)
where:
Base-Base interactions energy: -944.113
where: short stacking energy: -374.981
Base-Backbone interact. energy: 0.423
local terms energy: -436.659297
where:
bonds (distance) C4'-P energy: -98.914
bonds (distance) P-C4' energy: -88.919
flat angles C4'-P-C4' energy: -104.844
flat angles P-C4'-P energy: -64.383
tors. eta vs tors. theta energy: -79.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1109.997924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.997924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.997924 (E_RNA)
where:
Base-Base interactions energy: -671.335
where: short stacking energy: -288.428
Base-Backbone interact. energy: -0.520
local terms energy: -438.142972
where:
bonds (distance) C4'-P energy: -96.603
bonds (distance) P-C4' energy: -101.920
flat angles C4'-P-C4' energy: -101.606
flat angles P-C4'-P energy: -71.026
tors. eta vs tors. theta energy: -66.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -953.618551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.618551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.618551 (E_RNA)
where:
Base-Base interactions energy: -555.305
where: short stacking energy: -275.269
Base-Backbone interact. energy: -0.506
local terms energy: -397.807530
where:
bonds (distance) C4'-P energy: -75.811
bonds (distance) P-C4' energy: -111.886
flat angles C4'-P-C4' energy: -103.251
flat angles P-C4'-P energy: -68.425
tors. eta vs tors. theta energy: -38.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -863.753582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.753582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.753582 (E_RNA)
where:
Base-Base interactions energy: -500.885
where: short stacking energy: -237.850
Base-Backbone interact. energy: -2.155
local terms energy: -360.713231
where:
bonds (distance) C4'-P energy: -87.011
bonds (distance) P-C4' energy: -99.572
flat angles C4'-P-C4' energy: -91.681
flat angles P-C4'-P energy: -46.886
tors. eta vs tors. theta energy: -35.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -545.535359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.535359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.535359 (E_RNA)
where:
Base-Base interactions energy: -242.289
where: short stacking energy: -159.108
Base-Backbone interact. energy: 1.087
local terms energy: -304.332619
where:
bonds (distance) C4'-P energy: -92.481
bonds (distance) P-C4' energy: -107.101
flat angles C4'-P-C4' energy: -80.656
flat angles P-C4'-P energy: -45.307
tors. eta vs tors. theta energy: 21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -2050.379108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.379108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.379108 (E_RNA)
where:
Base-Base interactions energy: -1419.003
where: short stacking energy: -609.233
Base-Backbone interact. energy: 0.171
local terms energy: -631.547328
where:
bonds (distance) C4'-P energy: -111.001
bonds (distance) P-C4' energy: -112.343
flat angles C4'-P-C4' energy: -144.590
flat angles P-C4'-P energy: -88.323
tors. eta vs tors. theta energy: -175.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1970.962139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.962139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.962139 (E_RNA)
where:
Base-Base interactions energy: -1360.046
where: short stacking energy: -577.919
Base-Backbone interact. energy: -2.214
local terms energy: -608.702523
where:
bonds (distance) C4'-P energy: -103.373
bonds (distance) P-C4' energy: -112.683
flat angles C4'-P-C4' energy: -138.681
flat angles P-C4'-P energy: -80.036
tors. eta vs tors. theta energy: -173.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1843.346255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.346255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.346255 (E_RNA)
where:
Base-Base interactions energy: -1298.581
where: short stacking energy: -533.777
Base-Backbone interact. energy: 1.392
local terms energy: -546.157117
where:
bonds (distance) C4'-P energy: -97.800
bonds (distance) P-C4' energy: -101.150
flat angles C4'-P-C4' energy: -121.311
flat angles P-C4'-P energy: -76.440
tors. eta vs tors. theta energy: -149.456
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: 6
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1691.674670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.674670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.674670 (E_RNA)
where:
Base-Base interactions energy: -1143.632
where: short stacking energy: -491.098
Base-Backbone interact. energy: 0.960
local terms energy: -549.002325
where:
bonds (distance) C4'-P energy: -104.231
bonds (distance) P-C4' energy: -108.259
flat angles C4'-P-C4' energy: -123.542
flat angles P-C4'-P energy: -76.577
tors. eta vs tors. theta energy: -136.393
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: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1574.749871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.749871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.749871 (E_RNA)
where:
Base-Base interactions energy: -1054.209
where: short stacking energy: -441.167
Base-Backbone interact. energy: -0.175
local terms energy: -520.365677
where:
bonds (distance) C4'-P energy: -94.852
bonds (distance) P-C4' energy: -117.328
flat angles C4'-P-C4' energy: -114.605
flat angles P-C4'-P energy: -82.010
tors. eta vs tors. theta energy: -111.571
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: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1336.088361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.088361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.088361 (E_RNA)
where:
Base-Base interactions energy: -897.663
where: short stacking energy: -379.518
Base-Backbone interact. energy: -0.551
local terms energy: -437.875172
where:
bonds (distance) C4'-P energy: -96.332
bonds (distance) P-C4' energy: -90.203
flat angles C4'-P-C4' energy: -98.375
flat angles P-C4'-P energy: -60.539
tors. eta vs tors. theta energy: -92.426
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: 179
Temperature: 1.200000
Total energy: -1049.459868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.459868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.459868 (E_RNA)
where:
Base-Base interactions energy: -651.768
where: short stacking energy: -283.529
Base-Backbone interact. energy: -1.915
local terms energy: -395.776788
where:
bonds (distance) C4'-P energy: -81.374
bonds (distance) P-C4' energy: -99.886
flat angles C4'-P-C4' energy: -98.808
flat angles P-C4'-P energy: -64.511
tors. eta vs tors. theta energy: -51.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -923.831874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.831874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.831874 (E_RNA)
where:
Base-Base interactions energy: -538.740
where: short stacking energy: -258.830
Base-Backbone interact. energy: -2.999
local terms energy: -382.093223
where:
bonds (distance) C4'-P energy: -104.658
bonds (distance) P-C4' energy: -84.190
flat angles C4'-P-C4' energy: -86.008
flat angles P-C4'-P energy: -66.914
tors. eta vs tors. theta energy: -40.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -840.793439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.793439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.793439 (E_RNA)
where:
Base-Base interactions energy: -497.274
where: short stacking energy: -236.105
Base-Backbone interact. energy: 0.245
local terms energy: -343.763953
where:
bonds (distance) C4'-P energy: -102.364
bonds (distance) P-C4' energy: -90.087
flat angles C4'-P-C4' energy: -73.690
flat angles P-C4'-P energy: -51.347
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -530.588701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.588701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.588701 (E_RNA)
where:
Base-Base interactions energy: -249.283
where: short stacking energy: -155.757
Base-Backbone interact. energy: 1.115
local terms energy: -282.420569
where:
bonds (distance) C4'-P energy: -92.246
bonds (distance) P-C4' energy: -89.282
flat angles C4'-P-C4' energy: -78.608
flat angles P-C4'-P energy: -39.821
tors. eta vs tors. theta energy: 17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -2047.451473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.451473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.451473 (E_RNA)
where:
Base-Base interactions energy: -1431.011
where: short stacking energy: -601.000
Base-Backbone interact. energy: -0.932
local terms energy: -615.508056
where:
bonds (distance) C4'-P energy: -105.453
bonds (distance) P-C4' energy: -114.176
flat angles C4'-P-C4' energy: -137.863
flat angles P-C4'-P energy: -89.705
tors. eta vs tors. theta energy: -168.311
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: 8
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -1960.394916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.394916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.394916 (E_RNA)
where:
Base-Base interactions energy: -1366.761
where: short stacking energy: -572.320
Base-Backbone interact. energy: -2.643
local terms energy: -590.991123
where:
bonds (distance) C4'-P energy: -106.706
bonds (distance) P-C4' energy: -114.275
flat angles C4'-P-C4' energy: -127.880
flat angles P-C4'-P energy: -75.289
tors. eta vs tors. theta energy: -166.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1836.255985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.255985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.255985 (E_RNA)
where:
Base-Base interactions energy: -1281.645
where: short stacking energy: -555.519
Base-Backbone interact. energy: -3.453
local terms energy: -551.157413
where:
bonds (distance) C4'-P energy: -88.108
bonds (distance) P-C4' energy: -107.487
flat angles C4'-P-C4' energy: -133.989
flat angles P-C4'-P energy: -73.724
tors. eta vs tors. theta energy: -147.849
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: 6
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1671.208485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.208485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.208485 (E_RNA)
where:
Base-Base interactions energy: -1134.495
where: short stacking energy: -499.176
Base-Backbone interact. energy: -4.057
local terms energy: -532.656058
where:
bonds (distance) C4'-P energy: -99.184
bonds (distance) P-C4' energy: -105.610
flat angles C4'-P-C4' energy: -125.947
flat angles P-C4'-P energy: -62.717
tors. eta vs tors. theta energy: -139.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1581.327646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.327646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.327646 (E_RNA)
where:
Base-Base interactions energy: -1044.355
where: short stacking energy: -471.040
Base-Backbone interact. energy: -0.657
local terms energy: -536.315270
where:
bonds (distance) C4'-P energy: -104.305
bonds (distance) P-C4' energy: -105.418
flat angles C4'-P-C4' energy: -112.398
flat angles P-C4'-P energy: -76.859
tors. eta vs tors. theta energy: -137.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1400.905856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.905856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.905856 (E_RNA)
where:
Base-Base interactions energy: -936.356
where: short stacking energy: -375.653
Base-Backbone interact. energy: -0.502
local terms energy: -464.048469
where:
bonds (distance) C4'-P energy: -107.187
bonds (distance) P-C4' energy: -96.881
flat angles C4'-P-C4' energy: -103.584
flat angles P-C4'-P energy: -59.739
tors. eta vs tors. theta energy: -96.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1058.243064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.243064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.243064 (E_RNA)
where:
Base-Base interactions energy: -632.431
where: short stacking energy: -297.222
Base-Backbone interact. energy: -2.719
local terms energy: -423.093497
where:
bonds (distance) C4'-P energy: -88.403
bonds (distance) P-C4' energy: -114.382
flat angles C4'-P-C4' energy: -100.261
flat angles P-C4'-P energy: -64.807
tors. eta vs tors. theta energy: -55.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -982.154012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.154012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.154012 (E_RNA)
where:
Base-Base interactions energy: -596.063
where: short stacking energy: -284.754
Base-Backbone interact. energy: 1.875
local terms energy: -387.966227
where:
bonds (distance) C4'-P energy: -96.189
bonds (distance) P-C4' energy: -107.742
flat angles C4'-P-C4' energy: -94.977
flat angles P-C4'-P energy: -41.747
tors. eta vs tors. theta energy: -47.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -840.556691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.556691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.556691 (E_RNA)
where:
Base-Base interactions energy: -491.600
where: short stacking energy: -255.408
Base-Backbone interact. energy: -0.131
local terms energy: -348.825348
where:
bonds (distance) C4'-P energy: -80.235
bonds (distance) P-C4' energy: -90.682
flat angles C4'-P-C4' energy: -94.472
flat angles P-C4'-P energy: -48.447
tors. eta vs tors. theta energy: -34.989
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: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -519.828686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.828686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.828686 (E_RNA)
where:
Base-Base interactions energy: -246.054
where: short stacking energy: -154.270
Base-Backbone interact. energy: -1.055
local terms energy: -272.719585
where:
bonds (distance) C4'-P energy: -86.516
bonds (distance) P-C4' energy: -102.638
flat angles C4'-P-C4' energy: -73.663
flat angles P-C4'-P energy: -35.549
tors. eta vs tors. theta energy: 25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -2009.650134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.650134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.650134 (E_RNA)
where:
Base-Base interactions energy: -1402.181
where: short stacking energy: -582.085
Base-Backbone interact. energy: -2.931
local terms energy: -604.538658
where:
bonds (distance) C4'-P energy: -112.100
bonds (distance) P-C4' energy: -113.018
flat angles C4'-P-C4' energy: -136.773
flat angles P-C4'-P energy: -80.469
tors. eta vs tors. theta energy: -162.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1941.974730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.974730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.974730 (E_RNA)
where:
Base-Base interactions energy: -1323.451
where: short stacking energy: -547.658
Base-Backbone interact. energy: -5.420
local terms energy: -613.104113
where:
bonds (distance) C4'-P energy: -108.035
bonds (distance) P-C4' energy: -120.974
flat angles C4'-P-C4' energy: -128.994
flat angles P-C4'-P energy: -90.538
tors. eta vs tors. theta energy: -164.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1839.554070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.554070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.554070 (E_RNA)
where:
Base-Base interactions energy: -1252.237
where: short stacking energy: -526.147
Base-Backbone interact. energy: 1.352
local terms energy: -588.668555
where:
bonds (distance) C4'-P energy: -114.445
bonds (distance) P-C4' energy: -116.433
flat angles C4'-P-C4' energy: -123.753
flat angles P-C4'-P energy: -88.915
tors. eta vs tors. theta energy: -145.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1720.506411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.506411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.506411 (E_RNA)
where:
Base-Base interactions energy: -1176.915
where: short stacking energy: -491.757
Base-Backbone interact. energy: -3.420
local terms energy: -540.171846
where:
bonds (distance) C4'-P energy: -92.846
bonds (distance) P-C4' energy: -104.857
flat angles C4'-P-C4' energy: -111.346
flat angles P-C4'-P energy: -70.117
tors. eta vs tors. theta energy: -161.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1576.912458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.912458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.912458 (E_RNA)
where:
Base-Base interactions energy: -1035.180
where: short stacking energy: -441.625
Base-Backbone interact. energy: 0.876
local terms energy: -542.608725
where:
bonds (distance) C4'-P energy: -115.823
bonds (distance) P-C4' energy: -116.505
flat angles C4'-P-C4' energy: -113.361
flat angles P-C4'-P energy: -76.303
tors. eta vs tors. theta energy: -120.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1350.193936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.193936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.193936 (E_RNA)
where:
Base-Base interactions energy: -902.371
where: short stacking energy: -384.584
Base-Backbone interact. energy: -0.764
local terms energy: -447.059271
where:
bonds (distance) C4'-P energy: -103.580
bonds (distance) P-C4' energy: -108.527
flat angles C4'-P-C4' energy: -97.635
flat angles P-C4'-P energy: -53.507
tors. eta vs tors. theta energy: -83.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1047.163068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.163068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.163068 (E_RNA)
where:
Base-Base interactions energy: -598.829
where: short stacking energy: -295.224
Base-Backbone interact. energy: -1.165
local terms energy: -447.169294
where:
bonds (distance) C4'-P energy: -102.951
bonds (distance) P-C4' energy: -119.387
flat angles C4'-P-C4' energy: -105.722
flat angles P-C4'-P energy: -62.053
tors. eta vs tors. theta energy: -57.056
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: 181
Temperature: 1.250000
Total energy: -959.639524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.639524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.639524 (E_RNA)
where:
Base-Base interactions energy: -578.433
where: short stacking energy: -267.990
Base-Backbone interact. energy: -1.433
local terms energy: -379.773320
where:
bonds (distance) C4'-P energy: -86.057
bonds (distance) P-C4' energy: -101.708
flat angles C4'-P-C4' energy: -110.985
flat angles P-C4'-P energy: -60.839
tors. eta vs tors. theta energy: -20.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -879.228472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.228472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.228472 (E_RNA)
where:
Base-Base interactions energy: -539.310
where: short stacking energy: -245.763
Base-Backbone interact. energy: -0.233
local terms energy: -339.685140
where:
bonds (distance) C4'-P energy: -82.035
bonds (distance) P-C4' energy: -110.053
flat angles C4'-P-C4' energy: -93.369
flat angles P-C4'-P energy: -40.217
tors. eta vs tors. theta energy: -14.011
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: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -538.718691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.718691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.718691 (E_RNA)
where:
Base-Base interactions energy: -224.491
where: short stacking energy: -126.245
Base-Backbone interact. energy: 0.903
local terms energy: -315.130684
where:
bonds (distance) C4'-P energy: -99.448
bonds (distance) P-C4' energy: -113.141
flat angles C4'-P-C4' energy: -86.717
flat angles P-C4'-P energy: -46.792
tors. eta vs tors. theta energy: 30.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -2040.439427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.439427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.439427 (E_RNA)
where:
Base-Base interactions energy: -1447.647
where: short stacking energy: -561.877
Base-Backbone interact. energy: -1.653
local terms energy: -591.139676
where:
bonds (distance) C4'-P energy: -118.400
bonds (distance) P-C4' energy: -110.201
flat angles C4'-P-C4' energy: -133.945
flat angles P-C4'-P energy: -67.866
tors. eta vs tors. theta energy: -160.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1962.509999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.509999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.509999 (E_RNA)
where:
Base-Base interactions energy: -1347.268
where: short stacking energy: -576.018
Base-Backbone interact. energy: -3.311
local terms energy: -611.930242
where:
bonds (distance) C4'-P energy: -104.625
bonds (distance) P-C4' energy: -111.141
flat angles C4'-P-C4' energy: -130.390
flat angles P-C4'-P energy: -96.665
tors. eta vs tors. theta energy: -169.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1854.835631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.835631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.835631 (E_RNA)
where:
Base-Base interactions energy: -1299.317
where: short stacking energy: -525.454
Base-Backbone interact. energy: -2.048
local terms energy: -553.470822
where:
bonds (distance) C4'-P energy: -101.483
bonds (distance) P-C4' energy: -99.516
flat angles C4'-P-C4' energy: -123.773
flat angles P-C4'-P energy: -85.424
tors. eta vs tors. theta energy: -143.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1742.889070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.889070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.889070 (E_RNA)
where:
Base-Base interactions energy: -1205.447
where: short stacking energy: -490.126
Base-Backbone interact. energy: -1.363
local terms energy: -536.079097
where:
bonds (distance) C4'-P energy: -93.068
bonds (distance) P-C4' energy: -107.441
flat angles C4'-P-C4' energy: -121.507
flat angles P-C4'-P energy: -76.824
tors. eta vs tors. theta energy: -137.239
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: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1536.569362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.569362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.569362 (E_RNA)
where:
Base-Base interactions energy: -1051.213
where: short stacking energy: -466.765
Base-Backbone interact. energy: -3.305
local terms energy: -482.051758
where:
bonds (distance) C4'-P energy: -102.415
bonds (distance) P-C4' energy: -109.295
flat angles C4'-P-C4' energy: -96.801
flat angles P-C4'-P energy: -64.957
tors. eta vs tors. theta energy: -108.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1391.162265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.162265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.162265 (E_RNA)
where:
Base-Base interactions energy: -914.753
where: short stacking energy: -405.136
Base-Backbone interact. energy: 0.921
local terms energy: -477.330336
where:
bonds (distance) C4'-P energy: -97.864
bonds (distance) P-C4' energy: -93.552
flat angles C4'-P-C4' energy: -117.265
flat angles P-C4'-P energy: -73.566
tors. eta vs tors. theta energy: -95.084
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: 2
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1080.194086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.194086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.194086 (E_RNA)
where:
Base-Base interactions energy: -661.689
where: short stacking energy: -287.746
Base-Backbone interact. energy: 0.989
local terms energy: -419.493905
where:
bonds (distance) C4'-P energy: -108.001
bonds (distance) P-C4' energy: -97.461
flat angles C4'-P-C4' energy: -107.049
flat angles P-C4'-P energy: -62.419
tors. eta vs tors. theta energy: -44.564
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: 4
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -869.336938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.336938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.336938 (E_RNA)
where:
Base-Base interactions energy: -489.071
where: short stacking energy: -260.551
Base-Backbone interact. energy: -2.578
local terms energy: -377.688736
where:
bonds (distance) C4'-P energy: -102.557
bonds (distance) P-C4' energy: -88.535
flat angles C4'-P-C4' energy: -99.438
flat angles P-C4'-P energy: -56.792
tors. eta vs tors. theta energy: -30.367
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: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -900.101594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.101594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.101594 (E_RNA)
where:
Base-Base interactions energy: -525.803
where: short stacking energy: -242.968
Base-Backbone interact. energy: -0.147
local terms energy: -374.151475
where:
bonds (distance) C4'-P energy: -103.037
bonds (distance) P-C4' energy: -105.682
flat angles C4'-P-C4' energy: -89.111
flat angles P-C4'-P energy: -49.542
tors. eta vs tors. theta energy: -26.780
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: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -547.292929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.292929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.292929 (E_RNA)
where:
Base-Base interactions energy: -245.153
where: short stacking energy: -146.384
Base-Backbone interact. energy: 6.794
local terms energy: -308.933597
where:
bonds (distance) C4'-P energy: -86.844
bonds (distance) P-C4' energy: -95.071
flat angles C4'-P-C4' energy: -75.790
flat angles P-C4'-P energy: -56.530
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: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -2043.141462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.141462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.141462 (E_RNA)
where:
Base-Base interactions energy: -1435.431
where: short stacking energy: -583.495
Base-Backbone interact. energy: -2.579
local terms energy: -605.131175
where:
bonds (distance) C4'-P energy: -106.659
bonds (distance) P-C4' energy: -124.367
flat angles C4'-P-C4' energy: -117.858
flat angles P-C4'-P energy: -89.453
tors. eta vs tors. theta energy: -166.794
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: 9
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1902.758149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.758149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.758149 (E_RNA)
where:
Base-Base interactions energy: -1326.448
where: short stacking energy: -543.848
Base-Backbone interact. energy: -1.788
local terms energy: -574.521957
where:
bonds (distance) C4'-P energy: -101.793
bonds (distance) P-C4' energy: -118.261
flat angles C4'-P-C4' energy: -124.195
flat angles P-C4'-P energy: -74.609
tors. eta vs tors. theta energy: -155.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1883.146776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.146776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.146776 (E_RNA)
where:
Base-Base interactions energy: -1304.822
where: short stacking energy: -573.516
Base-Backbone interact. energy: -2.025
local terms energy: -576.299078
where:
bonds (distance) C4'-P energy: -97.578
bonds (distance) P-C4' energy: -106.045
flat angles C4'-P-C4' energy: -134.038
flat angles P-C4'-P energy: -80.027
tors. eta vs tors. theta energy: -158.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1754.793074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.793074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.793074 (E_RNA)
where:
Base-Base interactions energy: -1182.581
where: short stacking energy: -536.146
Base-Backbone interact. energy: -2.749
local terms energy: -569.462798
where:
bonds (distance) C4'-P energy: -102.569
bonds (distance) P-C4' energy: -108.068
flat angles C4'-P-C4' energy: -118.977
flat angles P-C4'-P energy: -77.846
tors. eta vs tors. theta energy: -162.003
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: 5, replica: 5
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1563.446508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.446508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.446508 (E_RNA)
where:
Base-Base interactions energy: -1024.401
where: short stacking energy: -463.280
Base-Backbone interact. energy: 0.046
local terms energy: -539.092125
where:
bonds (distance) C4'-P energy: -113.548
bonds (distance) P-C4' energy: -114.730
flat angles C4'-P-C4' energy: -110.043
flat angles P-C4'-P energy: -76.096
tors. eta vs tors. theta energy: -124.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1372.799827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.799827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.799827 (E_RNA)
where:
Base-Base interactions energy: -893.955
where: short stacking energy: -392.033
Base-Backbone interact. energy: -0.088
local terms energy: -478.756315
where:
bonds (distance) C4'-P energy: -94.334
bonds (distance) P-C4' energy: -109.485
flat angles C4'-P-C4' energy: -113.320
flat angles P-C4'-P energy: -68.730
tors. eta vs tors. theta energy: -92.888
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: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1128.688812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.688812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.688812 (E_RNA)
where:
Base-Base interactions energy: -717.583
where: short stacking energy: -332.571
Base-Backbone interact. energy: -0.026
local terms energy: -411.080287
where:
bonds (distance) C4'-P energy: -110.723
bonds (distance) P-C4' energy: -101.204
flat angles C4'-P-C4' energy: -91.544
flat angles P-C4'-P energy: -46.270
tors. eta vs tors. theta energy: -61.339
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: 8, replica: 4
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -954.596436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.596436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.596436 (E_RNA)
where:
Base-Base interactions energy: -570.624
where: short stacking energy: -268.631
Base-Backbone interact. energy: 4.949
local terms energy: -388.920763
where:
bonds (distance) C4'-P energy: -102.828
bonds (distance) P-C4' energy: -92.539
flat angles C4'-P-C4' energy: -109.439
flat angles P-C4'-P energy: -56.990
tors. eta vs tors. theta energy: -27.125
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: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -856.585895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.585895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.585895 (E_RNA)
where:
Base-Base interactions energy: -483.867
where: short stacking energy: -227.701
Base-Backbone interact. energy: 3.319
local terms energy: -376.038254
where:
bonds (distance) C4'-P energy: -91.274
bonds (distance) P-C4' energy: -112.401
flat angles C4'-P-C4' energy: -88.861
flat angles P-C4'-P energy: -65.874
tors. eta vs tors. theta energy: -17.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -508.569857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.569857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.569857 (E_RNA)
where:
Base-Base interactions energy: -206.932
where: short stacking energy: -126.598
Base-Backbone interact. energy: -1.754
local terms energy: -299.884240
where:
bonds (distance) C4'-P energy: -78.682
bonds (distance) P-C4' energy: -80.470
flat angles C4'-P-C4' energy: -92.912
flat angles P-C4'-P energy: -63.997
tors. eta vs tors. theta energy: 16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2031.821554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.821554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.821554 (E_RNA)
where:
Base-Base interactions energy: -1432.223
where: short stacking energy: -595.586
Base-Backbone interact. energy: -0.370
local terms energy: -599.228754
where:
bonds (distance) C4'-P energy: -102.993
bonds (distance) P-C4' energy: -124.407
flat angles C4'-P-C4' energy: -123.621
flat angles P-C4'-P energy: -83.681
tors. eta vs tors. theta energy: -164.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1886.701742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.701742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.701742 (E_RNA)
where:
Base-Base interactions energy: -1278.696
where: short stacking energy: -568.595
Base-Backbone interact. energy: 4.499
local terms energy: -612.505187
where:
bonds (distance) C4'-P energy: -112.242
bonds (distance) P-C4' energy: -115.783
flat angles C4'-P-C4' energy: -132.377
flat angles P-C4'-P energy: -93.694
tors. eta vs tors. theta energy: -158.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1906.270875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.270875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.270875 (E_RNA)
where:
Base-Base interactions energy: -1305.035
where: short stacking energy: -553.851
Base-Backbone interact. energy: -2.356
local terms energy: -598.879975
where:
bonds (distance) C4'-P energy: -106.331
bonds (distance) P-C4' energy: -121.048
flat angles C4'-P-C4' energy: -125.519
flat angles P-C4'-P energy: -86.162
tors. eta vs tors. theta energy: -159.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1790.907304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.907304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.907304 (E_RNA)
where:
Base-Base interactions energy: -1204.987
where: short stacking energy: -531.957
Base-Backbone interact. energy: -0.866
local terms energy: -585.053960
where:
bonds (distance) C4'-P energy: -104.643
bonds (distance) P-C4' energy: -108.290
flat angles C4'-P-C4' energy: -127.005
flat angles P-C4'-P energy: -71.035
tors. eta vs tors. theta energy: -174.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1618.622266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.622266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.622266 (E_RNA)
where:
Base-Base interactions energy: -1085.193
where: short stacking energy: -478.999
Base-Backbone interact. energy: -0.295
local terms energy: -533.134620
where:
bonds (distance) C4'-P energy: -93.460
bonds (distance) P-C4' energy: -113.467
flat angles C4'-P-C4' energy: -121.800
flat angles P-C4'-P energy: -68.711
tors. eta vs tors. theta energy: -135.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1396.808198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.808198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.808198 (E_RNA)
where:
Base-Base interactions energy: -916.319
where: short stacking energy: -386.739
Base-Backbone interact. energy: -0.376
local terms energy: -480.114077
where:
bonds (distance) C4'-P energy: -107.999
bonds (distance) P-C4' energy: -102.480
flat angles C4'-P-C4' energy: -110.378
flat angles P-C4'-P energy: -69.267
tors. eta vs tors. theta energy: -89.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1136.067684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.067684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.067684 (E_RNA)
where:
Base-Base interactions energy: -711.295
where: short stacking energy: -325.344
Base-Backbone interact. energy: -1.863
local terms energy: -422.909242
where:
bonds (distance) C4'-P energy: -95.077
bonds (distance) P-C4' energy: -93.925
flat angles C4'-P-C4' energy: -98.370
flat angles P-C4'-P energy: -53.585
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: 8, replica: 4
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -986.171570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.171570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.171570 (E_RNA)
where:
Base-Base interactions energy: -609.001
where: short stacking energy: -274.061
Base-Backbone interact. energy: -2.088
local terms energy: -375.083005
where:
bonds (distance) C4'-P energy: -90.303
bonds (distance) P-C4' energy: -105.273
flat angles C4'-P-C4' energy: -90.208
flat angles P-C4'-P energy: -57.283
tors. eta vs tors. theta energy: -32.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -839.048388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.048388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.048388 (E_RNA)
where:
Base-Base interactions energy: -478.137
where: short stacking energy: -229.024
Base-Backbone interact. energy: 0.648
local terms energy: -361.559329
where:
bonds (distance) C4'-P energy: -84.357
bonds (distance) P-C4' energy: -89.497
flat angles C4'-P-C4' energy: -98.563
flat angles P-C4'-P energy: -57.646
tors. eta vs tors. theta energy: -31.497
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: 10, replica: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -562.599474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.599474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.599474 (E_RNA)
where:
Base-Base interactions energy: -248.267
where: short stacking energy: -168.128
Base-Backbone interact. energy: -1.383
local terms energy: -312.949584
where:
bonds (distance) C4'-P energy: -93.041
bonds (distance) P-C4' energy: -110.830
flat angles C4'-P-C4' energy: -59.899
flat angles P-C4'-P energy: -38.782
tors. eta vs tors. theta energy: -10.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -2034.113462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.113462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.113462 (E_RNA)
where:
Base-Base interactions energy: -1430.798
where: short stacking energy: -576.989
Base-Backbone interact. energy: -1.679
local terms energy: -601.636883
where:
bonds (distance) C4'-P energy: -115.860
bonds (distance) P-C4' energy: -111.905
flat angles C4'-P-C4' energy: -125.670
flat angles P-C4'-P energy: -83.118
tors. eta vs tors. theta energy: -165.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1949.061855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.061855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.061855 (E_RNA)
where:
Base-Base interactions energy: -1343.210
where: short stacking energy: -546.001
Base-Backbone interact. energy: -6.969
local terms energy: -598.882381
where:
bonds (distance) C4'-P energy: -114.159
bonds (distance) P-C4' energy: -116.582
flat angles C4'-P-C4' energy: -126.900
flat angles P-C4'-P energy: -82.296
tors. eta vs tors. theta energy: -158.945
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: 9
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1872.248521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.248521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.248521 (E_RNA)
where:
Base-Base interactions energy: -1287.967
where: short stacking energy: -548.336
Base-Backbone interact. energy: -3.610
local terms energy: -580.670641
where:
bonds (distance) C4'-P energy: -97.985
bonds (distance) P-C4' energy: -112.063
flat angles C4'-P-C4' energy: -127.134
flat angles P-C4'-P energy: -83.382
tors. eta vs tors. theta energy: -160.107
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: 6
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1778.206787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.206787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.206787 (E_RNA)
where:
Base-Base interactions energy: -1192.307
where: short stacking energy: -533.334
Base-Backbone interact. energy: 1.489
local terms energy: -587.389450
where:
bonds (distance) C4'-P energy: -101.446
bonds (distance) P-C4' energy: -104.472
flat angles C4'-P-C4' energy: -127.221
flat angles P-C4'-P energy: -89.072
tors. eta vs tors. theta energy: -165.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1610.877378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.877378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.877378 (E_RNA)
where:
Base-Base interactions energy: -1070.414
where: short stacking energy: -460.313
Base-Backbone interact. energy: -3.566
local terms energy: -536.897411
where:
bonds (distance) C4'-P energy: -78.121
bonds (distance) P-C4' energy: -111.527
flat angles C4'-P-C4' energy: -125.119
flat angles P-C4'-P energy: -90.973
tors. eta vs tors. theta energy: -131.157
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: 3
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1383.534335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.534335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.534335 (E_RNA)
where:
Base-Base interactions energy: -936.797
where: short stacking energy: -395.974
Base-Backbone interact. energy: 0.722
local terms energy: -447.458876
where:
bonds (distance) C4'-P energy: -83.330
bonds (distance) P-C4' energy: -114.911
flat angles C4'-P-C4' energy: -91.928
flat angles P-C4'-P energy: -64.669
tors. eta vs tors. theta energy: -92.620
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: 2
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1172.153571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1172.153571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1172.153571 (E_RNA)
where:
Base-Base interactions energy: -738.820
where: short stacking energy: -309.094
Base-Backbone interact. energy: 2.996
local terms energy: -436.329937
where:
bonds (distance) C4'-P energy: -106.135
bonds (distance) P-C4' energy: -90.309
flat angles C4'-P-C4' energy: -111.067
flat angles P-C4'-P energy: -63.057
tors. eta vs tors. theta energy: -65.761
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: 185
Temperature: 1.250000
Total energy: -989.749783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.749783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.749783 (E_RNA)
where:
Base-Base interactions energy: -588.415
where: short stacking energy: -297.932
Base-Backbone interact. energy: 7.700
local terms energy: -409.035326
where:
bonds (distance) C4'-P energy: -99.133
bonds (distance) P-C4' energy: -114.965
flat angles C4'-P-C4' energy: -85.344
flat angles P-C4'-P energy: -56.833
tors. eta vs tors. theta energy: -52.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -868.113832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.113832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.113832 (E_RNA)
where:
Base-Base interactions energy: -507.527
where: short stacking energy: -239.453
Base-Backbone interact. energy: -2.450
local terms energy: -358.137247
where:
bonds (distance) C4'-P energy: -81.889
bonds (distance) P-C4' energy: -87.541
flat angles C4'-P-C4' energy: -99.567
flat angles P-C4'-P energy: -70.741
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: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -506.564280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.564280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.564280 (E_RNA)
where:
Base-Base interactions energy: -229.192
where: short stacking energy: -155.659
Base-Backbone interact. energy: 3.470
local terms energy: -280.842793
where:
bonds (distance) C4'-P energy: -82.612
bonds (distance) P-C4' energy: -87.767
flat angles C4'-P-C4' energy: -63.183
flat angles P-C4'-P energy: -62.936
tors. eta vs tors. theta energy: 15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -2031.734023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.734023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.734023 (E_RNA)
where:
Base-Base interactions energy: -1414.547
where: short stacking energy: -595.304
Base-Backbone interact. energy: -3.908
local terms energy: -613.278430
where:
bonds (distance) C4'-P energy: -123.545
bonds (distance) P-C4' energy: -119.289
flat angles C4'-P-C4' energy: -132.094
flat angles P-C4'-P energy: -73.835
tors. eta vs tors. theta energy: -164.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1966.021632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.021632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.021632 (E_RNA)
where:
Base-Base interactions energy: -1352.581
where: short stacking energy: -587.130
Base-Backbone interact. energy: -2.229
local terms energy: -611.211049
where:
bonds (distance) C4'-P energy: -111.775
bonds (distance) P-C4' energy: -111.710
flat angles C4'-P-C4' energy: -133.375
flat angles P-C4'-P energy: -87.112
tors. eta vs tors. theta energy: -167.239
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: 186
Temperature: 1.000000
Total energy: -1850.685743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.685743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.685743 (E_RNA)
where:
Base-Base interactions energy: -1261.522
where: short stacking energy: -534.410
Base-Backbone interact. energy: 0.102
local terms energy: -589.265985
where:
bonds (distance) C4'-P energy: -112.593
bonds (distance) P-C4' energy: -113.635
flat angles C4'-P-C4' energy: -113.739
flat angles P-C4'-P energy: -91.120
tors. eta vs tors. theta energy: -158.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1791.446735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.446735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.446735 (E_RNA)
where:
Base-Base interactions energy: -1201.004
where: short stacking energy: -548.650
Base-Backbone interact. energy: -3.733
local terms energy: -586.710001
where:
bonds (distance) C4'-P energy: -113.875
bonds (distance) P-C4' energy: -114.810
flat angles C4'-P-C4' energy: -126.437
flat angles P-C4'-P energy: -78.885
tors. eta vs tors. theta energy: -152.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1629.867941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.867941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.867941 (E_RNA)
where:
Base-Base interactions energy: -1092.059
where: short stacking energy: -500.904
Base-Backbone interact. energy: 1.380
local terms energy: -539.188154
where:
bonds (distance) C4'-P energy: -110.231
bonds (distance) P-C4' energy: -109.109
flat angles C4'-P-C4' energy: -112.467
flat angles P-C4'-P energy: -69.627
tors. eta vs tors. theta energy: -137.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1404.497681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.497681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.497681 (E_RNA)
where:
Base-Base interactions energy: -917.635
where: short stacking energy: -430.156
Base-Backbone interact. energy: -0.764
local terms energy: -486.098544
where:
bonds (distance) C4'-P energy: -99.720
bonds (distance) P-C4' energy: -108.494
flat angles C4'-P-C4' energy: -109.166
flat angles P-C4'-P energy: -67.469
tors. eta vs tors. theta energy: -101.249
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: 186
Temperature: 1.200000
Total energy: -1123.269142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.269142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.269142 (E_RNA)
where:
Base-Base interactions energy: -701.899
where: short stacking energy: -312.119
Base-Backbone interact. energy: 4.461
local terms energy: -425.831824
where:
bonds (distance) C4'-P energy: -104.789
bonds (distance) P-C4' energy: -98.407
flat angles C4'-P-C4' energy: -99.170
flat angles P-C4'-P energy: -67.525
tors. eta vs tors. theta energy: -55.942
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: 4
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -1012.502600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.502600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.502600 (E_RNA)
where:
Base-Base interactions energy: -614.879
where: short stacking energy: -291.710
Base-Backbone interact. energy: -2.553
local terms energy: -395.069949
where:
bonds (distance) C4'-P energy: -96.222
bonds (distance) P-C4' energy: -109.134
flat angles C4'-P-C4' energy: -95.366
flat angles P-C4'-P energy: -50.283
tors. eta vs tors. theta energy: -44.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -832.272120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.272120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.272120 (E_RNA)
where:
Base-Base interactions energy: -464.548
where: short stacking energy: -242.489
Base-Backbone interact. energy: -2.263
local terms energy: -365.461106
where:
bonds (distance) C4'-P energy: -95.368
bonds (distance) P-C4' energy: -99.669
flat angles C4'-P-C4' energy: -92.631
flat angles P-C4'-P energy: -43.437
tors. eta vs tors. theta energy: -34.356
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: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -538.565753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.565753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.565753 (E_RNA)
where:
Base-Base interactions energy: -227.524
where: short stacking energy: -158.604
Base-Backbone interact. energy: -0.545
local terms energy: -310.495968
where:
bonds (distance) C4'-P energy: -85.903
bonds (distance) P-C4' energy: -95.328
flat angles C4'-P-C4' energy: -85.848
flat angles P-C4'-P energy: -51.725
tors. eta vs tors. theta energy: 8.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -2015.315706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.315706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.315706 (E_RNA)
where:
Base-Base interactions energy: -1416.346
where: short stacking energy: -589.065
Base-Backbone interact. energy: 0.920
local terms energy: -599.889635
where:
bonds (distance) C4'-P energy: -108.648
bonds (distance) P-C4' energy: -114.068
flat angles C4'-P-C4' energy: -128.924
flat angles P-C4'-P energy: -82.512
tors. eta vs tors. theta energy: -165.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1985.754937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.754937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.754937 (E_RNA)
where:
Base-Base interactions energy: -1385.027
where: short stacking energy: -581.498
Base-Backbone interact. energy: -4.038
local terms energy: -596.690300
where:
bonds (distance) C4'-P energy: -107.511
bonds (distance) P-C4' energy: -114.483
flat angles C4'-P-C4' energy: -120.590
flat angles P-C4'-P energy: -86.781
tors. eta vs tors. theta energy: -167.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1897.355179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.355179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.355179 (E_RNA)
where:
Base-Base interactions energy: -1320.769
where: short stacking energy: -561.877
Base-Backbone interact. energy: -1.559
local terms energy: -575.027069
where:
bonds (distance) C4'-P energy: -104.296
bonds (distance) P-C4' energy: -111.927
flat angles C4'-P-C4' energy: -124.838
flat angles P-C4'-P energy: -73.174
tors. eta vs tors. theta energy: -160.793
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: 6
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -1769.955077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.955077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.955077 (E_RNA)
where:
Base-Base interactions energy: -1184.964
where: short stacking energy: -535.052
Base-Backbone interact. energy: -2.131
local terms energy: -582.860194
where:
bonds (distance) C4'-P energy: -111.334
bonds (distance) P-C4' energy: -109.893
flat angles C4'-P-C4' energy: -127.392
flat angles P-C4'-P energy: -75.602
tors. eta vs tors. theta energy: -158.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1687.186539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.186539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.186539 (E_RNA)
where:
Base-Base interactions energy: -1136.004
where: short stacking energy: -530.404
Base-Backbone interact. energy: -1.164
local terms energy: -550.018037
where:
bonds (distance) C4'-P energy: -93.356
bonds (distance) P-C4' energy: -100.435
flat angles C4'-P-C4' energy: -121.772
flat angles P-C4'-P energy: -76.844
tors. eta vs tors. theta energy: -157.611
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: 3
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1367.737390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.737390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.737390 (E_RNA)
where:
Base-Base interactions energy: -919.201
where: short stacking energy: -394.038
Base-Backbone interact. energy: -0.331
local terms energy: -448.205996
where:
bonds (distance) C4'-P energy: -86.123
bonds (distance) P-C4' energy: -113.499
flat angles C4'-P-C4' energy: -99.197
flat angles P-C4'-P energy: -59.237
tors. eta vs tors. theta energy: -90.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1109.367917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.367917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.367917 (E_RNA)
where:
Base-Base interactions energy: -690.040
where: short stacking energy: -325.437
Base-Backbone interact. energy: -1.475
local terms energy: -417.853251
where:
bonds (distance) C4'-P energy: -86.718
bonds (distance) P-C4' energy: -103.493
flat angles C4'-P-C4' energy: -115.586
flat angles P-C4'-P energy: -65.067
tors. eta vs tors. theta energy: -46.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -999.983304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.983304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.983304 (E_RNA)
where:
Base-Base interactions energy: -591.508
where: short stacking energy: -314.304
Base-Backbone interact. energy: -2.606
local terms energy: -405.869726
where:
bonds (distance) C4'-P energy: -98.387
bonds (distance) P-C4' energy: -90.544
flat angles C4'-P-C4' energy: -107.034
flat angles P-C4'-P energy: -56.695
tors. eta vs tors. theta energy: -53.210
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: 1
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -879.234796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.234796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.234796 (E_RNA)
where:
Base-Base interactions energy: -512.758
where: short stacking energy: -251.798
Base-Backbone interact. energy: 0.004
local terms energy: -366.480656
where:
bonds (distance) C4'-P energy: -102.220
bonds (distance) P-C4' energy: -88.542
flat angles C4'-P-C4' energy: -86.594
flat angles P-C4'-P energy: -72.678
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -512.737744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.737744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.737744 (E_RNA)
where:
Base-Base interactions energy: -184.622
where: short stacking energy: -134.862
Base-Backbone interact. energy: 0.474
local terms energy: -328.589769
where:
bonds (distance) C4'-P energy: -102.778
bonds (distance) P-C4' energy: -112.808
flat angles C4'-P-C4' energy: -80.837
flat angles P-C4'-P energy: -53.753
tors. eta vs tors. theta energy: 21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -2023.111622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.111622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.111622 (E_RNA)
where:
Base-Base interactions energy: -1395.645
where: short stacking energy: -589.429
Base-Backbone interact. energy: -1.865
local terms energy: -625.601980
where:
bonds (distance) C4'-P energy: -113.688
bonds (distance) P-C4' energy: -121.314
flat angles C4'-P-C4' energy: -132.865
flat angles P-C4'-P energy: -85.736
tors. eta vs tors. theta energy: -171.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1966.813287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.813287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.813287 (E_RNA)
where:
Base-Base interactions energy: -1375.427
where: short stacking energy: -571.020
Base-Backbone interact. energy: -0.362
local terms energy: -591.023973
where:
bonds (distance) C4'-P energy: -99.200
bonds (distance) P-C4' energy: -112.607
flat angles C4'-P-C4' energy: -131.111
flat angles P-C4'-P energy: -75.245
tors. eta vs tors. theta energy: -172.860
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: 188
Temperature: 1.000000
Total energy: -1919.452218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.452218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.452218 (E_RNA)
where:
Base-Base interactions energy: -1332.282
where: short stacking energy: -564.974
Base-Backbone interact. energy: -4.863
local terms energy: -582.306773
where:
bonds (distance) C4'-P energy: -100.324
bonds (distance) P-C4' energy: -115.087
flat angles C4'-P-C4' energy: -127.419
flat angles P-C4'-P energy: -71.408
tors. eta vs tors. theta energy: -168.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1768.619293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.619293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.619293 (E_RNA)
where:
Base-Base interactions energy: -1190.126
where: short stacking energy: -520.416
Base-Backbone interact. energy: -2.665
local terms energy: -575.828787
where:
bonds (distance) C4'-P energy: -105.215
bonds (distance) P-C4' energy: -107.425
flat angles C4'-P-C4' energy: -124.896
flat angles P-C4'-P energy: -76.993
tors. eta vs tors. theta energy: -161.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1666.409185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.409185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.409185 (E_RNA)
where:
Base-Base interactions energy: -1159.105
where: short stacking energy: -505.385
Base-Backbone interact. energy: -1.876
local terms energy: -505.428760
where:
bonds (distance) C4'-P energy: -84.280
bonds (distance) P-C4' energy: -92.426
flat angles C4'-P-C4' energy: -119.703
flat angles P-C4'-P energy: -74.467
tors. eta vs tors. theta energy: -134.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1372.719107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.719107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.719107 (E_RNA)
where:
Base-Base interactions energy: -893.185
where: short stacking energy: -379.921
Base-Backbone interact. energy: -5.245
local terms energy: -474.289627
where:
bonds (distance) C4'-P energy: -99.205
bonds (distance) P-C4' energy: -98.273
flat angles C4'-P-C4' energy: -105.477
flat angles P-C4'-P energy: -67.870
tors. eta vs tors. theta energy: -103.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1092.587986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.587986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.587986 (E_RNA)
where:
Base-Base interactions energy: -703.490
where: short stacking energy: -342.676
Base-Backbone interact. energy: -0.123
local terms energy: -388.974875
where:
bonds (distance) C4'-P energy: -94.491
bonds (distance) P-C4' energy: -90.884
flat angles C4'-P-C4' energy: -91.195
flat angles P-C4'-P energy: -55.914
tors. eta vs tors. theta energy: -56.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1049.724930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.724930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.724930 (E_RNA)
where:
Base-Base interactions energy: -647.606
where: short stacking energy: -310.568
Base-Backbone interact. energy: -0.259
local terms energy: -401.860524
where:
bonds (distance) C4'-P energy: -95.299
bonds (distance) P-C4' energy: -95.461
flat angles C4'-P-C4' energy: -101.149
flat angles P-C4'-P energy: -60.115
tors. eta vs tors. theta energy: -49.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -913.558454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.558454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.558454 (E_RNA)
where:
Base-Base interactions energy: -538.525
where: short stacking energy: -267.839
Base-Backbone interact. energy: -1.435
local terms energy: -373.598741
where:
bonds (distance) C4'-P energy: -80.889
bonds (distance) P-C4' energy: -108.400
flat angles C4'-P-C4' energy: -89.768
flat angles P-C4'-P energy: -61.223
tors. eta vs tors. theta energy: -33.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -522.276253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.276253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.276253 (E_RNA)
where:
Base-Base interactions energy: -212.611
where: short stacking energy: -138.320
Base-Backbone interact. energy: 1.671
local terms energy: -311.335829
where:
bonds (distance) C4'-P energy: -105.128
bonds (distance) P-C4' energy: -90.747
flat angles C4'-P-C4' energy: -82.903
flat angles P-C4'-P energy: -34.958
tors. eta vs tors. theta energy: 2.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -2021.486904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.486904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.486904 (E_RNA)
where:
Base-Base interactions energy: -1405.160
where: short stacking energy: -584.727
Base-Backbone interact. energy: -5.856
local terms energy: -610.470697
where:
bonds (distance) C4'-P energy: -121.375
bonds (distance) P-C4' energy: -112.274
flat angles C4'-P-C4' energy: -127.489
flat angles P-C4'-P energy: -81.118
tors. eta vs tors. theta energy: -168.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1918.982775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.982775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.982775 (E_RNA)
where:
Base-Base interactions energy: -1333.199
where: short stacking energy: -540.047
Base-Backbone interact. energy: -1.873
local terms energy: -583.910667
where:
bonds (distance) C4'-P energy: -111.043
bonds (distance) P-C4' energy: -126.752
flat angles C4'-P-C4' energy: -110.534
flat angles P-C4'-P energy: -84.414
tors. eta vs tors. theta energy: -151.168
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: 3, replica: 9
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1884.051750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.051750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.051750 (E_RNA)
where:
Base-Base interactions energy: -1314.420
where: short stacking energy: -554.752
Base-Backbone interact. energy: -1.049
local terms energy: -568.583159
where:
bonds (distance) C4'-P energy: -107.826
bonds (distance) P-C4' energy: -89.914
flat angles C4'-P-C4' energy: -129.051
flat angles P-C4'-P energy: -76.505
tors. eta vs tors. theta energy: -165.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1797.916817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.916817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.916817 (E_RNA)
where:
Base-Base interactions energy: -1212.876
where: short stacking energy: -523.421
Base-Backbone interact. energy: -3.480
local terms energy: -581.559989
where:
bonds (distance) C4'-P energy: -112.904
bonds (distance) P-C4' energy: -118.001
flat angles C4'-P-C4' energy: -117.376
flat angles P-C4'-P energy: -74.498
tors. eta vs tors. theta energy: -158.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1661.674406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.674406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.674406 (E_RNA)
where:
Base-Base interactions energy: -1129.944
where: short stacking energy: -473.111
Base-Backbone interact. energy: -2.578
local terms energy: -529.152386
where:
bonds (distance) C4'-P energy: -116.285
bonds (distance) P-C4' energy: -91.580
flat angles C4'-P-C4' energy: -105.966
flat angles P-C4'-P energy: -85.535
tors. eta vs tors. theta energy: -129.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1411.381101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.381101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.381101 (E_RNA)
where:
Base-Base interactions energy: -923.129
where: short stacking energy: -384.751
Base-Backbone interact. energy: -1.771
local terms energy: -486.481289
where:
bonds (distance) C4'-P energy: -102.214
bonds (distance) P-C4' energy: -108.609
flat angles C4'-P-C4' energy: -104.290
flat angles P-C4'-P energy: -78.928
tors. eta vs tors. theta energy: -92.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -962.501600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.501600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.501600 (E_RNA)
where:
Base-Base interactions energy: -571.336
where: short stacking energy: -272.204
Base-Backbone interact. energy: -0.409
local terms energy: -390.756501
where:
bonds (distance) C4'-P energy: -90.686
bonds (distance) P-C4' energy: -105.350
flat angles C4'-P-C4' energy: -94.653
flat angles P-C4'-P energy: -57.809
tors. eta vs tors. theta energy: -42.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1032.660784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.660784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.660784 (E_RNA)
where:
Base-Base interactions energy: -617.608
where: short stacking energy: -283.644
Base-Backbone interact. energy: -0.807
local terms energy: -414.245778
where:
bonds (distance) C4'-P energy: -96.723
bonds (distance) P-C4' energy: -98.118
flat angles C4'-P-C4' energy: -108.910
flat angles P-C4'-P energy: -64.761
tors. eta vs tors. theta energy: -45.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -905.429861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.429861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.429861 (E_RNA)
where:
Base-Base interactions energy: -550.738
where: short stacking energy: -256.088
Base-Backbone interact. energy: 2.528
local terms energy: -357.219543
where:
bonds (distance) C4'-P energy: -90.898
bonds (distance) P-C4' energy: -88.118
flat angles C4'-P-C4' energy: -105.487
flat angles P-C4'-P energy: -44.913
tors. eta vs tors. theta energy: -27.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -525.224091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.224091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.224091 (E_RNA)
where:
Base-Base interactions energy: -195.079
where: short stacking energy: -126.722
Base-Backbone interact. energy: 5.185
local terms energy: -335.330143
where:
bonds (distance) C4'-P energy: -91.207
bonds (distance) P-C4' energy: -104.265
flat angles C4'-P-C4' energy: -81.869
flat angles P-C4'-P energy: -62.203
tors. eta vs tors. theta energy: 4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -2009.532754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.532754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.532754 (E_RNA)
where:
Base-Base interactions energy: -1398.593
where: short stacking energy: -563.685
Base-Backbone interact. energy: -3.060
local terms energy: -607.879364
where:
bonds (distance) C4'-P energy: -99.972
bonds (distance) P-C4' energy: -115.854
flat angles C4'-P-C4' energy: -133.728
flat angles P-C4'-P energy: -88.482
tors. eta vs tors. theta energy: -169.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1933.181683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.181683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.181683 (E_RNA)
where:
Base-Base interactions energy: -1330.872
where: short stacking energy: -548.674
Base-Backbone interact. energy: -2.475
local terms energy: -599.834692
where:
bonds (distance) C4'-P energy: -116.108
bonds (distance) P-C4' energy: -112.884
flat angles C4'-P-C4' energy: -131.290
flat angles P-C4'-P energy: -82.415
tors. eta vs tors. theta energy: -157.138
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: 190
Temperature: 1.000000
Total energy: -1908.900711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.900711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.900711 (E_RNA)
where:
Base-Base interactions energy: -1334.578
where: short stacking energy: -551.442
Base-Backbone interact. energy: -0.625
local terms energy: -573.697884
where:
bonds (distance) C4'-P energy: -111.114
bonds (distance) P-C4' energy: -108.525
flat angles C4'-P-C4' energy: -120.805
flat angles P-C4'-P energy: -72.505
tors. eta vs tors. theta energy: -160.749
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: 6
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1788.796151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.796151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.796151 (E_RNA)
where:
Base-Base interactions energy: -1215.242
where: short stacking energy: -534.515
Base-Backbone interact. energy: -1.811
local terms energy: -571.743152
where:
bonds (distance) C4'-P energy: -102.300
bonds (distance) P-C4' energy: -107.846
flat angles C4'-P-C4' energy: -129.457
flat angles P-C4'-P energy: -71.159
tors. eta vs tors. theta energy: -160.981
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: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1683.556622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.556622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.556622 (E_RNA)
where:
Base-Base interactions energy: -1163.385
where: short stacking energy: -476.621
Base-Backbone interact. energy: -2.750
local terms energy: -517.422084
where:
bonds (distance) C4'-P energy: -105.639
bonds (distance) P-C4' energy: -100.508
flat angles C4'-P-C4' energy: -95.268
flat angles P-C4'-P energy: -73.769
tors. eta vs tors. theta energy: -142.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1405.185577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.185577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.185577 (E_RNA)
where:
Base-Base interactions energy: -925.693
where: short stacking energy: -407.005
Base-Backbone interact. energy: -5.093
local terms energy: -474.399451
where:
bonds (distance) C4'-P energy: -93.621
bonds (distance) P-C4' energy: -95.842
flat angles C4'-P-C4' energy: -116.539
flat angles P-C4'-P energy: -64.177
tors. eta vs tors. theta energy: -104.220
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: 4
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1105.388196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.388196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.388196 (E_RNA)
where:
Base-Base interactions energy: -687.865
where: short stacking energy: -317.508
Base-Backbone interact. energy: -0.051
local terms energy: -417.472791
where:
bonds (distance) C4'-P energy: -99.654
bonds (distance) P-C4' energy: -106.541
flat angles C4'-P-C4' energy: -88.173
flat angles P-C4'-P energy: -68.510
tors. eta vs tors. theta energy: -54.595
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: 2
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -843.090665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.090665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.090665 (E_RNA)
where:
Base-Base interactions energy: -489.901
where: short stacking energy: -222.587
Base-Backbone interact. energy: 1.888
local terms energy: -355.077885
where:
bonds (distance) C4'-P energy: -96.654
bonds (distance) P-C4' energy: -90.457
flat angles C4'-P-C4' energy: -91.472
flat angles P-C4'-P energy: -59.913
tors. eta vs tors. theta energy: -16.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -941.083107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.083107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.083107 (E_RNA)
where:
Base-Base interactions energy: -570.738
where: short stacking energy: -261.399
Base-Backbone interact. energy: 1.745
local terms energy: -372.090579
where:
bonds (distance) C4'-P energy: -90.113
bonds (distance) P-C4' energy: -99.806
flat angles C4'-P-C4' energy: -99.393
flat angles P-C4'-P energy: -57.510
tors. eta vs tors. theta energy: -25.269
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: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -533.529720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.529720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.529720 (E_RNA)
where:
Base-Base interactions energy: -238.112
where: short stacking energy: -156.875
Base-Backbone interact. energy: -0.673
local terms energy: -294.744903
where:
bonds (distance) C4'-P energy: -74.522
bonds (distance) P-C4' energy: -102.466
flat angles C4'-P-C4' energy: -74.758
flat angles P-C4'-P energy: -51.427
tors. eta vs tors. theta energy: 8.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -2009.236198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.236198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.236198 (E_RNA)
where:
Base-Base interactions energy: -1374.748
where: short stacking energy: -566.405
Base-Backbone interact. energy: -5.410
local terms energy: -629.078818
where:
bonds (distance) C4'-P energy: -117.078
bonds (distance) P-C4' energy: -108.532
flat angles C4'-P-C4' energy: -135.591
flat angles P-C4'-P energy: -92.692
tors. eta vs tors. theta energy: -175.186
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: 191
Temperature: 0.950000
Total energy: -1958.181404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.181404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.181404 (E_RNA)
where:
Base-Base interactions energy: -1372.136
where: short stacking energy: -558.014
Base-Backbone interact. energy: -2.524
local terms energy: -583.521502
where:
bonds (distance) C4'-P energy: -111.536
bonds (distance) P-C4' energy: -106.868
flat angles C4'-P-C4' energy: -118.525
flat angles P-C4'-P energy: -89.274
tors. eta vs tors. theta energy: -157.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1921.022965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.022965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.022965 (E_RNA)
where:
Base-Base interactions energy: -1311.089
where: short stacking energy: -553.487
Base-Backbone interact. energy: -3.260
local terms energy: -606.674359
where:
bonds (distance) C4'-P energy: -109.639
bonds (distance) P-C4' energy: -114.409
flat angles C4'-P-C4' energy: -129.793
flat angles P-C4'-P energy: -91.498
tors. eta vs tors. theta energy: -161.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1780.695066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.695066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.695066 (E_RNA)
where:
Base-Base interactions energy: -1227.527
where: short stacking energy: -513.408
Base-Backbone interact. energy: -2.144
local terms energy: -551.023769
where:
bonds (distance) C4'-P energy: -90.201
bonds (distance) P-C4' energy: -110.235
flat angles C4'-P-C4' energy: -121.988
flat angles P-C4'-P energy: -77.440
tors. eta vs tors. theta energy: -151.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1741.935685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.935685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.935685 (E_RNA)
where:
Base-Base interactions energy: -1218.195
where: short stacking energy: -492.523
Base-Backbone interact. energy: -3.519
local terms energy: -520.221861
where:
bonds (distance) C4'-P energy: -105.777
bonds (distance) P-C4' energy: -79.593
flat angles C4'-P-C4' energy: -115.020
flat angles P-C4'-P energy: -85.588
tors. eta vs tors. theta energy: -134.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1439.949515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.949515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.949515 (E_RNA)
where:
Base-Base interactions energy: -927.275
where: short stacking energy: -431.744
Base-Backbone interact. energy: 1.334
local terms energy: -514.008785
where:
bonds (distance) C4'-P energy: -98.628
bonds (distance) P-C4' energy: -110.354
flat angles C4'-P-C4' energy: -108.046
flat angles P-C4'-P energy: -75.010
tors. eta vs tors. theta energy: -121.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -1116.619176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.619176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.619176 (E_RNA)
where:
Base-Base interactions energy: -684.979
where: short stacking energy: -341.291
Base-Backbone interact. energy: 1.121
local terms energy: -432.761090
where:
bonds (distance) C4'-P energy: -87.138
bonds (distance) P-C4' energy: -114.556
flat angles C4'-P-C4' energy: -105.203
flat angles P-C4'-P energy: -67.664
tors. eta vs tors. theta energy: -58.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -899.754620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.754620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.754620 (E_RNA)
where:
Base-Base interactions energy: -518.890
where: short stacking energy: -268.255
Base-Backbone interact. energy: -3.169
local terms energy: -377.695838
where:
bonds (distance) C4'-P energy: -94.799
bonds (distance) P-C4' energy: -106.666
flat angles C4'-P-C4' energy: -92.009
flat angles P-C4'-P energy: -35.137
tors. eta vs tors. theta energy: -49.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -814.035326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.035326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.035326 (E_RNA)
where:
Base-Base interactions energy: -485.395
where: short stacking energy: -234.476
Base-Backbone interact. energy: 0.561
local terms energy: -329.201202
where:
bonds (distance) C4'-P energy: -94.161
bonds (distance) P-C4' energy: -100.412
flat angles C4'-P-C4' energy: -80.588
flat angles P-C4'-P energy: -43.255
tors. eta vs tors. theta energy: -10.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -517.191035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.191035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.191035 (E_RNA)
where:
Base-Base interactions energy: -239.073
where: short stacking energy: -170.803
Base-Backbone interact. energy: 2.092
local terms energy: -280.210461
where:
bonds (distance) C4'-P energy: -90.063
bonds (distance) P-C4' energy: -81.960
flat angles C4'-P-C4' energy: -78.075
flat angles P-C4'-P energy: -45.639
tors. eta vs tors. theta energy: 15.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -2017.889703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.889703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.889703 (E_RNA)
where:
Base-Base interactions energy: -1386.727
where: short stacking energy: -568.274
Base-Backbone interact. energy: -3.282
local terms energy: -627.881156
where:
bonds (distance) C4'-P energy: -112.820
bonds (distance) P-C4' energy: -116.294
flat angles C4'-P-C4' energy: -131.410
flat angles P-C4'-P energy: -87.236
tors. eta vs tors. theta energy: -180.121
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: 192
Temperature: 0.950000
Total energy: -1967.273258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.273258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.273258 (E_RNA)
where:
Base-Base interactions energy: -1369.403
where: short stacking energy: -550.256
Base-Backbone interact. energy: -0.708
local terms energy: -597.162821
where:
bonds (distance) C4'-P energy: -116.019
bonds (distance) P-C4' energy: -117.267
flat angles C4'-P-C4' energy: -124.658
flat angles P-C4'-P energy: -81.739
tors. eta vs tors. theta energy: -157.480
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: 192
Temperature: 1.000000
Total energy: -1890.290961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.290961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.290961 (E_RNA)
where:
Base-Base interactions energy: -1311.693
where: short stacking energy: -575.969
Base-Backbone interact. energy: -1.453
local terms energy: -577.144516
where:
bonds (distance) C4'-P energy: -106.574
bonds (distance) P-C4' energy: -104.929
flat angles C4'-P-C4' energy: -121.248
flat angles P-C4'-P energy: -81.290
tors. eta vs tors. theta energy: -163.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1745.397175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.397175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.397175 (E_RNA)
where:
Base-Base interactions energy: -1212.823
where: short stacking energy: -532.972
Base-Backbone interact. energy: -2.872
local terms energy: -529.702335
where:
bonds (distance) C4'-P energy: -104.100
bonds (distance) P-C4' energy: -100.518
flat angles C4'-P-C4' energy: -115.255
flat angles P-C4'-P energy: -65.671
tors. eta vs tors. theta energy: -144.158
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: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1756.335944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.335944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.335944 (E_RNA)
where:
Base-Base interactions energy: -1192.388
where: short stacking energy: -501.740
Base-Backbone interact. energy: -1.485
local terms energy: -562.463608
where:
bonds (distance) C4'-P energy: -114.194
bonds (distance) P-C4' energy: -104.828
flat angles C4'-P-C4' energy: -111.696
flat angles P-C4'-P energy: -84.397
tors. eta vs tors. theta energy: -147.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1406.201673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.201673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.201673 (E_RNA)
where:
Base-Base interactions energy: -919.801
where: short stacking energy: -405.339
Base-Backbone interact. energy: 1.055
local terms energy: -487.455299
where:
bonds (distance) C4'-P energy: -91.272
bonds (distance) P-C4' energy: -100.950
flat angles C4'-P-C4' energy: -120.158
flat angles P-C4'-P energy: -66.740
tors. eta vs tors. theta energy: -108.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1143.089494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.089494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.089494 (E_RNA)
where:
Base-Base interactions energy: -723.899
where: short stacking energy: -339.386
Base-Backbone interact. energy: -1.000
local terms energy: -418.190948
where:
bonds (distance) C4'-P energy: -103.697
bonds (distance) P-C4' energy: -93.696
flat angles C4'-P-C4' energy: -82.703
flat angles P-C4'-P energy: -70.406
tors. eta vs tors. theta energy: -67.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -931.585224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.585224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.585224 (E_RNA)
where:
Base-Base interactions energy: -543.686
where: short stacking energy: -268.887
Base-Backbone interact. energy: 4.163
local terms energy: -392.062078
where:
bonds (distance) C4'-P energy: -97.094
bonds (distance) P-C4' energy: -105.976
flat angles C4'-P-C4' energy: -85.205
flat angles P-C4'-P energy: -60.757
tors. eta vs tors. theta energy: -43.029
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: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -828.389215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.389215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.389215 (E_RNA)
where:
Base-Base interactions energy: -484.678
where: short stacking energy: -218.935
Base-Backbone interact. energy: 1.316
local terms energy: -345.027214
where:
bonds (distance) C4'-P energy: -88.538
bonds (distance) P-C4' energy: -103.350
flat angles C4'-P-C4' energy: -89.758
flat angles P-C4'-P energy: -52.762
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -556.296849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.296849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.296849 (E_RNA)
where:
Base-Base interactions energy: -252.068
where: short stacking energy: -164.530
Base-Backbone interact. energy: 5.680
local terms energy: -309.908991
where:
bonds (distance) C4'-P energy: -79.213
bonds (distance) P-C4' energy: -90.299
flat angles C4'-P-C4' energy: -100.222
flat angles P-C4'-P energy: -47.030
tors. eta vs tors. theta energy: 6.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -2029.762669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.762669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.762669 (E_RNA)
where:
Base-Base interactions energy: -1400.469
where: short stacking energy: -585.383
Base-Backbone interact. energy: -3.391
local terms energy: -625.902362
where:
bonds (distance) C4'-P energy: -118.140
bonds (distance) P-C4' energy: -119.614
flat angles C4'-P-C4' energy: -131.323
flat angles P-C4'-P energy: -79.766
tors. eta vs tors. theta energy: -177.058
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: 193
Temperature: 0.950000
Total energy: -1970.773839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.773839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.773839 (E_RNA)
where:
Base-Base interactions energy: -1390.282
where: short stacking energy: -557.183
Base-Backbone interact. energy: -1.312
local terms energy: -579.179793
where:
bonds (distance) C4'-P energy: -103.405
bonds (distance) P-C4' energy: -115.984
flat angles C4'-P-C4' energy: -121.973
flat angles P-C4'-P energy: -90.047
tors. eta vs tors. theta energy: -147.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1884.357641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.357641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.357641 (E_RNA)
where:
Base-Base interactions energy: -1281.566
where: short stacking energy: -540.971
Base-Backbone interact. energy: 3.015
local terms energy: -605.806578
where:
bonds (distance) C4'-P energy: -118.610
bonds (distance) P-C4' energy: -114.551
flat angles C4'-P-C4' energy: -124.694
flat angles P-C4'-P energy: -85.555
tors. eta vs tors. theta energy: -162.397
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: 6
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1728.004699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.004699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.004699 (E_RNA)
where:
Base-Base interactions energy: -1156.763
where: short stacking energy: -517.802
Base-Backbone interact. energy: 1.017
local terms energy: -572.259105
where:
bonds (distance) C4'-P energy: -100.803
bonds (distance) P-C4' energy: -118.180
flat angles C4'-P-C4' energy: -123.478
flat angles P-C4'-P energy: -68.042
tors. eta vs tors. theta energy: -161.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1782.809399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.809399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.809399 (E_RNA)
where:
Base-Base interactions energy: -1228.495
where: short stacking energy: -492.035
Base-Backbone interact. energy: -0.886
local terms energy: -553.428517
where:
bonds (distance) C4'-P energy: -114.385
bonds (distance) P-C4' energy: -93.705
flat angles C4'-P-C4' energy: -115.000
flat angles P-C4'-P energy: -90.920
tors. eta vs tors. theta energy: -139.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1401.217084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.217084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.217084 (E_RNA)
where:
Base-Base interactions energy: -934.038
where: short stacking energy: -401.889
Base-Backbone interact. energy: -4.310
local terms energy: -462.868907
where:
bonds (distance) C4'-P energy: -85.593
bonds (distance) P-C4' energy: -100.621
flat angles C4'-P-C4' energy: -111.282
flat angles P-C4'-P energy: -65.715
tors. eta vs tors. theta energy: -99.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1151.282822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.282822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.282822 (E_RNA)
where:
Base-Base interactions energy: -684.802
where: short stacking energy: -325.660
Base-Backbone interact. energy: -0.584
local terms energy: -465.896615
where:
bonds (distance) C4'-P energy: -103.966
bonds (distance) P-C4' energy: -108.007
flat angles C4'-P-C4' energy: -106.093
flat angles P-C4'-P energy: -74.990
tors. eta vs tors. theta energy: -72.841
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: 2
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -970.945541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.945541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.945541 (E_RNA)
where:
Base-Base interactions energy: -565.115
where: short stacking energy: -278.860
Base-Backbone interact. energy: 6.159
local terms energy: -411.989362
where:
bonds (distance) C4'-P energy: -99.235
bonds (distance) P-C4' energy: -115.852
flat angles C4'-P-C4' energy: -103.750
flat angles P-C4'-P energy: -48.324
tors. eta vs tors. theta energy: -44.828
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: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -825.783658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.783658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.783658 (E_RNA)
where:
Base-Base interactions energy: -460.992
where: short stacking energy: -217.835
Base-Backbone interact. energy: 0.814
local terms energy: -365.606190
where:
bonds (distance) C4'-P energy: -83.579
bonds (distance) P-C4' energy: -100.398
flat angles C4'-P-C4' energy: -95.944
flat angles P-C4'-P energy: -55.782
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: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -497.531887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.531887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.531887 (E_RNA)
where:
Base-Base interactions energy: -186.943
where: short stacking energy: -112.379
Base-Backbone interact. energy: 4.423
local terms energy: -315.012232
where:
bonds (distance) C4'-P energy: -102.500
bonds (distance) P-C4' energy: -107.152
flat angles C4'-P-C4' energy: -73.621
flat angles P-C4'-P energy: -46.707
tors. eta vs tors. theta energy: 14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -2020.311365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.311365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.311365 (E_RNA)
where:
Base-Base interactions energy: -1389.347
where: short stacking energy: -587.522
Base-Backbone interact. energy: -1.841
local terms energy: -629.123477
where:
bonds (distance) C4'-P energy: -115.445
bonds (distance) P-C4' energy: -120.853
flat angles C4'-P-C4' energy: -129.933
flat angles P-C4'-P energy: -85.914
tors. eta vs tors. theta energy: -176.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1965.356533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.356533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.356533 (E_RNA)
where:
Base-Base interactions energy: -1331.822
where: short stacking energy: -555.426
Base-Backbone interact. energy: -2.510
local terms energy: -631.024133
where:
bonds (distance) C4'-P energy: -114.240
bonds (distance) P-C4' energy: -132.008
flat angles C4'-P-C4' energy: -134.064
flat angles P-C4'-P energy: -87.994
tors. eta vs tors. theta energy: -162.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1886.400330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.400330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.400330 (E_RNA)
where:
Base-Base interactions energy: -1304.633
where: short stacking energy: -563.316
Base-Backbone interact. energy: 1.265
local terms energy: -583.032929
where:
bonds (distance) C4'-P energy: -99.221
bonds (distance) P-C4' energy: -120.569
flat angles C4'-P-C4' energy: -114.336
flat angles P-C4'-P energy: -86.857
tors. eta vs tors. theta energy: -162.050
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: 4, replica: 6
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1698.341740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.341740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.341740 (E_RNA)
where:
Base-Base interactions energy: -1134.130
where: short stacking energy: -477.916
Base-Backbone interact. energy: -0.635
local terms energy: -563.576581
where:
bonds (distance) C4'-P energy: -113.267
bonds (distance) P-C4' energy: -119.387
flat angles C4'-P-C4' energy: -115.623
flat angles P-C4'-P energy: -71.986
tors. eta vs tors. theta energy: -143.314
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: 5
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1804.408187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.408187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.408187 (E_RNA)
where:
Base-Base interactions energy: -1285.307
where: short stacking energy: -519.562
Base-Backbone interact. energy: -3.096
local terms energy: -516.005346
where:
bonds (distance) C4'-P energy: -88.189
bonds (distance) P-C4' energy: -99.003
flat angles C4'-P-C4' energy: -128.476
flat angles P-C4'-P energy: -66.521
tors. eta vs tors. theta energy: -133.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1406.384275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.384275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.384275 (E_RNA)
where:
Base-Base interactions energy: -939.663
where: short stacking energy: -397.293
Base-Backbone interact. energy: -2.856
local terms energy: -463.865134
where:
bonds (distance) C4'-P energy: -92.905
bonds (distance) P-C4' energy: -96.149
flat angles C4'-P-C4' energy: -103.483
flat angles P-C4'-P energy: -70.293
tors. eta vs tors. theta energy: -101.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1098.948719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.948719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.948719 (E_RNA)
where:
Base-Base interactions energy: -694.304
where: short stacking energy: -301.866
Base-Backbone interact. energy: 0.402
local terms energy: -405.046743
where:
bonds (distance) C4'-P energy: -107.470
bonds (distance) P-C4' energy: -90.695
flat angles C4'-P-C4' energy: -76.488
flat angles P-C4'-P energy: -59.875
tors. eta vs tors. theta energy: -70.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -959.071277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.071277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.071277 (E_RNA)
where:
Base-Base interactions energy: -574.692
where: short stacking energy: -257.460
Base-Backbone interact. energy: 6.756
local terms energy: -391.135093
where:
bonds (distance) C4'-P energy: -77.303
bonds (distance) P-C4' energy: -116.284
flat angles C4'-P-C4' energy: -98.075
flat angles P-C4'-P energy: -50.132
tors. eta vs tors. theta energy: -49.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -830.164640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.164640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.164640 (E_RNA)
where:
Base-Base interactions energy: -474.182
where: short stacking energy: -224.506
Base-Backbone interact. energy: -0.711
local terms energy: -355.271804
where:
bonds (distance) C4'-P energy: -93.693
bonds (distance) P-C4' energy: -104.721
flat angles C4'-P-C4' energy: -80.304
flat angles P-C4'-P energy: -52.943
tors. eta vs tors. theta energy: -23.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -537.357839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.357839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.357839 (E_RNA)
where:
Base-Base interactions energy: -247.124
where: short stacking energy: -156.637
Base-Backbone interact. energy: 0.847
local terms energy: -291.080879
where:
bonds (distance) C4'-P energy: -92.890
bonds (distance) P-C4' energy: -110.308
flat angles C4'-P-C4' energy: -77.662
flat angles P-C4'-P energy: -20.959
tors. eta vs tors. theta energy: 10.739
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: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -2047.372571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.372571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.372571 (E_RNA)
where:
Base-Base interactions energy: -1392.376
where: short stacking energy: -596.394
Base-Backbone interact. energy: -3.413
local terms energy: -651.584154
where:
bonds (distance) C4'-P energy: -112.843
bonds (distance) P-C4' energy: -123.598
flat angles C4'-P-C4' energy: -140.896
flat angles P-C4'-P energy: -97.031
tors. eta vs tors. theta energy: -177.216
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: 195
Temperature: 0.950000
Total energy: -1918.140041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.140041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.140041 (E_RNA)
where:
Base-Base interactions energy: -1334.178
where: short stacking energy: -566.138
Base-Backbone interact. energy: -1.953
local terms energy: -582.008706
where:
bonds (distance) C4'-P energy: -95.498
bonds (distance) P-C4' energy: -108.993
flat angles C4'-P-C4' energy: -127.362
flat angles P-C4'-P energy: -86.911
tors. eta vs tors. theta energy: -163.245
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: 7
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1926.611170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.611170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.611170 (E_RNA)
where:
Base-Base interactions energy: -1332.234
where: short stacking energy: -555.245
Base-Backbone interact. energy: 0.312
local terms energy: -594.689175
where:
bonds (distance) C4'-P energy: -113.948
bonds (distance) P-C4' energy: -113.417
flat angles C4'-P-C4' energy: -123.213
flat angles P-C4'-P energy: -94.378
tors. eta vs tors. theta energy: -149.733
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: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1824.911955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.911955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.911955 (E_RNA)
where:
Base-Base interactions energy: -1258.685
where: short stacking energy: -532.340
Base-Backbone interact. energy: -2.989
local terms energy: -563.238039
where:
bonds (distance) C4'-P energy: -85.670
bonds (distance) P-C4' energy: -106.490
flat angles C4'-P-C4' energy: -130.465
flat angles P-C4'-P energy: -83.059
tors. eta vs tors. theta energy: -157.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1655.673387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.673387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.673387 (E_RNA)
where:
Base-Base interactions energy: -1123.636
where: short stacking energy: -493.814
Base-Backbone interact. energy: 1.044
local terms energy: -533.080817
where:
bonds (distance) C4'-P energy: -83.970
bonds (distance) P-C4' energy: -107.886
flat angles C4'-P-C4' energy: -124.893
flat angles P-C4'-P energy: -77.430
tors. eta vs tors. theta energy: -138.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1432.936540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.936540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.936540 (E_RNA)
where:
Base-Base interactions energy: -960.531
where: short stacking energy: -411.042
Base-Backbone interact. energy: -1.808
local terms energy: -470.597640
where:
bonds (distance) C4'-P energy: -99.374
bonds (distance) P-C4' energy: -102.445
flat angles C4'-P-C4' energy: -105.699
flat angles P-C4'-P energy: -63.653
tors. eta vs tors. theta energy: -99.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1087.679150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.679150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.679150 (E_RNA)
where:
Base-Base interactions energy: -664.384
where: short stacking energy: -329.321
Base-Backbone interact. energy: -0.985
local terms energy: -422.309832
where:
bonds (distance) C4'-P energy: -90.648
bonds (distance) P-C4' energy: -91.648
flat angles C4'-P-C4' energy: -109.372
flat angles P-C4'-P energy: -62.980
tors. eta vs tors. theta energy: -67.661
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: 1
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -964.409534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.409534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.409534 (E_RNA)
where:
Base-Base interactions energy: -594.527
where: short stacking energy: -250.048
Base-Backbone interact. energy: 0.775
local terms energy: -370.657110
where:
bonds (distance) C4'-P energy: -83.570
bonds (distance) P-C4' energy: -113.423
flat angles C4'-P-C4' energy: -81.963
flat angles P-C4'-P energy: -66.027
tors. eta vs tors. theta energy: -25.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -837.588129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.588129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.588129 (E_RNA)
where:
Base-Base interactions energy: -477.308
where: short stacking energy: -229.760
Base-Backbone interact. energy: 0.262
local terms energy: -360.542086
where:
bonds (distance) C4'-P energy: -79.427
bonds (distance) P-C4' energy: -92.388
flat angles C4'-P-C4' energy: -88.126
flat angles P-C4'-P energy: -64.071
tors. eta vs tors. theta energy: -36.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -508.931951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.931951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.931951 (E_RNA)
where:
Base-Base interactions energy: -210.932
where: short stacking energy: -132.516
Base-Backbone interact. energy: 3.219
local terms energy: -301.219206
where:
bonds (distance) C4'-P energy: -77.064
bonds (distance) P-C4' energy: -102.459
flat angles C4'-P-C4' energy: -84.306
flat angles P-C4'-P energy: -59.134
tors. eta vs tors. theta energy: 21.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -2023.020089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.020089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.020089 (E_RNA)
where:
Base-Base interactions energy: -1403.701
where: short stacking energy: -568.597
Base-Backbone interact. energy: -2.763
local terms energy: -616.556289
where:
bonds (distance) C4'-P energy: -118.476
bonds (distance) P-C4' energy: -120.881
flat angles C4'-P-C4' energy: -138.008
flat angles P-C4'-P energy: -71.166
tors. eta vs tors. theta energy: -168.026
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: 2, replica: 9
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1955.860525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.860525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.860525 (E_RNA)
where:
Base-Base interactions energy: -1344.110
where: short stacking energy: -572.941
Base-Backbone interact. energy: -3.383
local terms energy: -608.367759
where:
bonds (distance) C4'-P energy: -112.763
bonds (distance) P-C4' energy: -111.597
flat angles C4'-P-C4' energy: -128.959
flat angles P-C4'-P energy: -84.945
tors. eta vs tors. theta energy: -170.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -1891.165636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.165636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.165636 (E_RNA)
where:
Base-Base interactions energy: -1315.654
where: short stacking energy: -543.131
Base-Backbone interact. energy: -1.945
local terms energy: -573.566585
where:
bonds (distance) C4'-P energy: -107.138
bonds (distance) P-C4' energy: -101.304
flat angles C4'-P-C4' energy: -119.461
flat angles P-C4'-P energy: -92.874
tors. eta vs tors. theta energy: -152.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1817.592085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.592085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.592085 (E_RNA)
where:
Base-Base interactions energy: -1260.310
where: short stacking energy: -509.758
Base-Backbone interact. energy: 0.046
local terms energy: -557.327522
where:
bonds (distance) C4'-P energy: -104.634
bonds (distance) P-C4' energy: -109.842
flat angles C4'-P-C4' energy: -106.023
flat angles P-C4'-P energy: -85.567
tors. eta vs tors. theta energy: -151.262
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: 6
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1689.500182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.500182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.500182 (E_RNA)
where:
Base-Base interactions energy: -1146.374
where: short stacking energy: -481.627
Base-Backbone interact. energy: -1.169
local terms energy: -541.957863
where:
bonds (distance) C4'-P energy: -90.152
bonds (distance) P-C4' energy: -114.105
flat angles C4'-P-C4' energy: -118.817
flat angles P-C4'-P energy: -79.638
tors. eta vs tors. theta energy: -139.247
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: 6, replica: 3
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1441.065648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.065648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.065648 (E_RNA)
where:
Base-Base interactions energy: -973.190
where: short stacking energy: -393.989
Base-Backbone interact. energy: -1.744
local terms energy: -466.131646
where:
bonds (distance) C4'-P energy: -88.454
bonds (distance) P-C4' energy: -97.393
flat angles C4'-P-C4' energy: -106.673
flat angles P-C4'-P energy: -79.473
tors. eta vs tors. theta energy: -94.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1041.840897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.840897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.840897 (E_RNA)
where:
Base-Base interactions energy: -616.096
where: short stacking energy: -297.163
Base-Backbone interact. energy: -1.695
local terms energy: -424.050357
where:
bonds (distance) C4'-P energy: -107.993
bonds (distance) P-C4' energy: -94.328
flat angles C4'-P-C4' energy: -101.756
flat angles P-C4'-P energy: -80.034
tors. eta vs tors. theta energy: -39.939
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: 1
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -957.447152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.447152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.447152 (E_RNA)
where:
Base-Base interactions energy: -569.030
where: short stacking energy: -277.290
Base-Backbone interact. energy: 1.617
local terms energy: -390.033699
where:
bonds (distance) C4'-P energy: -114.042
bonds (distance) P-C4' energy: -95.507
flat angles C4'-P-C4' energy: -98.236
flat angles P-C4'-P energy: -45.062
tors. eta vs tors. theta energy: -37.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -782.881409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.881409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.881409 (E_RNA)
where:
Base-Base interactions energy: -429.259
where: short stacking energy: -209.143
Base-Backbone interact. energy: -1.987
local terms energy: -351.635611
where:
bonds (distance) C4'-P energy: -91.526
bonds (distance) P-C4' energy: -88.402
flat angles C4'-P-C4' energy: -94.220
flat angles P-C4'-P energy: -62.029
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -508.317417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.317417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.317417 (E_RNA)
where:
Base-Base interactions energy: -222.859
where: short stacking energy: -130.217
Base-Backbone interact. energy: 5.480
local terms energy: -290.938729
where:
bonds (distance) C4'-P energy: -89.920
bonds (distance) P-C4' energy: -89.314
flat angles C4'-P-C4' energy: -84.677
flat angles P-C4'-P energy: -33.022
tors. eta vs tors. theta energy: 5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -2022.487122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.487122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.487122 (E_RNA)
where:
Base-Base interactions energy: -1395.935
where: short stacking energy: -594.363
Base-Backbone interact. energy: -3.295
local terms energy: -623.258004
where:
bonds (distance) C4'-P energy: -111.636
bonds (distance) P-C4' energy: -112.091
flat angles C4'-P-C4' energy: -143.944
flat angles P-C4'-P energy: -85.440
tors. eta vs tors. theta energy: -170.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1958.099409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.099409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.099409 (E_RNA)
where:
Base-Base interactions energy: -1370.553
where: short stacking energy: -575.368
Base-Backbone interact. energy: -4.186
local terms energy: -583.360497
where:
bonds (distance) C4'-P energy: -106.065
bonds (distance) P-C4' energy: -108.657
flat angles C4'-P-C4' energy: -126.653
flat angles P-C4'-P energy: -80.900
tors. eta vs tors. theta energy: -161.084
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: 197
Temperature: 1.000000
Total energy: -1937.898270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.898270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.898270 (E_RNA)
where:
Base-Base interactions energy: -1339.891
where: short stacking energy: -581.416
Base-Backbone interact. energy: -0.956
local terms energy: -597.051182
where:
bonds (distance) C4'-P energy: -95.243
bonds (distance) P-C4' energy: -114.671
flat angles C4'-P-C4' energy: -131.125
flat angles P-C4'-P energy: -85.446
tors. eta vs tors. theta energy: -170.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1801.807749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.807749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.807749 (E_RNA)
where:
Base-Base interactions energy: -1237.051
where: short stacking energy: -513.067
Base-Backbone interact. energy: -2.584
local terms energy: -562.172526
where:
bonds (distance) C4'-P energy: -109.315
bonds (distance) P-C4' energy: -115.698
flat angles C4'-P-C4' energy: -121.493
flat angles P-C4'-P energy: -79.464
tors. eta vs tors. theta energy: -136.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1635.849661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.849661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.849661 (E_RNA)
where:
Base-Base interactions energy: -1128.639
where: short stacking energy: -481.290
Base-Backbone interact. energy: -1.409
local terms energy: -505.801771
where:
bonds (distance) C4'-P energy: -89.463
bonds (distance) P-C4' energy: -106.323
flat angles C4'-P-C4' energy: -101.344
flat angles P-C4'-P energy: -74.832
tors. eta vs tors. theta energy: -133.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1393.349758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.349758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.349758 (E_RNA)
where:
Base-Base interactions energy: -921.266
where: short stacking energy: -410.002
Base-Backbone interact. energy: -0.839
local terms energy: -471.244643
where:
bonds (distance) C4'-P energy: -99.262
bonds (distance) P-C4' energy: -87.713
flat angles C4'-P-C4' energy: -109.987
flat angles P-C4'-P energy: -70.275
tors. eta vs tors. theta energy: -104.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1055.864867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.864867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.864867 (E_RNA)
where:
Base-Base interactions energy: -638.930
where: short stacking energy: -299.154
Base-Backbone interact. energy: -2.102
local terms energy: -414.833370
where:
bonds (distance) C4'-P energy: -98.251
bonds (distance) P-C4' energy: -99.551
flat angles C4'-P-C4' energy: -109.567
flat angles P-C4'-P energy: -66.428
tors. eta vs tors. theta energy: -41.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1012.316410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.316410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.316410 (E_RNA)
where:
Base-Base interactions energy: -619.371
where: short stacking energy: -274.597
Base-Backbone interact. energy: -2.476
local terms energy: -390.469877
where:
bonds (distance) C4'-P energy: -95.457
bonds (distance) P-C4' energy: -95.401
flat angles C4'-P-C4' energy: -92.692
flat angles P-C4'-P energy: -57.994
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: 9, replica: 2
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -696.345067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.345067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.345067 (E_RNA)
where:
Base-Base interactions energy: -365.185
where: short stacking energy: -162.943
Base-Backbone interact. energy: -2.000
local terms energy: -329.159386
where:
bonds (distance) C4'-P energy: -99.409
bonds (distance) P-C4' energy: -104.240
flat angles C4'-P-C4' energy: -79.023
flat angles P-C4'-P energy: -55.171
tors. eta vs tors. theta energy: 8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -429.586784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.586784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.586784 (E_RNA)
where:
Base-Base interactions energy: -165.510
where: short stacking energy: -111.662
Base-Backbone interact. energy: -2.102
local terms energy: -261.975146
where:
bonds (distance) C4'-P energy: -89.851
bonds (distance) P-C4' energy: -83.773
flat angles C4'-P-C4' energy: -75.371
flat angles P-C4'-P energy: -38.410
tors. eta vs tors. theta energy: 25.430
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: 8
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -2024.096738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.096738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.096738 (E_RNA)
where:
Base-Base interactions energy: -1398.333
where: short stacking energy: -588.683
Base-Backbone interact. energy: -1.173
local terms energy: -624.591459
where:
bonds (distance) C4'-P energy: -108.829
bonds (distance) P-C4' energy: -118.742
flat angles C4'-P-C4' energy: -135.546
flat angles P-C4'-P energy: -82.461
tors. eta vs tors. theta energy: -179.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1951.701362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.701362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.701362 (E_RNA)
where:
Base-Base interactions energy: -1352.353
where: short stacking energy: -564.536
Base-Backbone interact. energy: -1.085
local terms energy: -598.263343
where:
bonds (distance) C4'-P energy: -108.636
bonds (distance) P-C4' energy: -119.167
flat angles C4'-P-C4' energy: -123.237
flat angles P-C4'-P energy: -85.001
tors. eta vs tors. theta energy: -162.222
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: 9
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1918.023900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.023900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.023900 (E_RNA)
where:
Base-Base interactions energy: -1340.725
where: short stacking energy: -565.978
Base-Backbone interact. energy: -3.003
local terms energy: -574.295518
where:
bonds (distance) C4'-P energy: -96.861
bonds (distance) P-C4' energy: -110.224
flat angles C4'-P-C4' energy: -129.013
flat angles P-C4'-P energy: -69.163
tors. eta vs tors. theta energy: -169.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1830.588565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.588565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.588565 (E_RNA)
where:
Base-Base interactions energy: -1283.050
where: short stacking energy: -512.884
Base-Backbone interact. energy: -2.855
local terms energy: -544.683596
where:
bonds (distance) C4'-P energy: -107.359
bonds (distance) P-C4' energy: -103.525
flat angles C4'-P-C4' energy: -112.949
flat angles P-C4'-P energy: -79.968
tors. eta vs tors. theta energy: -140.883
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: 5, replica: 6
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1658.027093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.027093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.027093 (E_RNA)
where:
Base-Base interactions energy: -1137.696
where: short stacking energy: -485.984
Base-Backbone interact. energy: 3.302
local terms energy: -523.633378
where:
bonds (distance) C4'-P energy: -102.109
bonds (distance) P-C4' energy: -96.264
flat angles C4'-P-C4' energy: -121.488
flat angles P-C4'-P energy: -66.469
tors. eta vs tors. theta energy: -137.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -1375.669962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.669962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.669962 (E_RNA)
where:
Base-Base interactions energy: -923.544
where: short stacking energy: -387.885
Base-Backbone interact. energy: -0.546
local terms energy: -451.579393
where:
bonds (distance) C4'-P energy: -93.349
bonds (distance) P-C4' energy: -109.891
flat angles C4'-P-C4' energy: -91.005
flat angles P-C4'-P energy: -65.990
tors. eta vs tors. theta energy: -91.344
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: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1034.799495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.799495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.799495 (E_RNA)
where:
Base-Base interactions energy: -620.640
where: short stacking energy: -282.021
Base-Backbone interact. energy: -0.701
local terms energy: -413.458823
where:
bonds (distance) C4'-P energy: -107.380
bonds (distance) P-C4' energy: -96.843
flat angles C4'-P-C4' energy: -94.048
flat angles P-C4'-P energy: -74.853
tors. eta vs tors. theta energy: -40.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1069.143860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.143860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.143860 (E_RNA)
where:
Base-Base interactions energy: -619.872
where: short stacking energy: -320.188
Base-Backbone interact. energy: -1.563
local terms energy: -447.708243
where:
bonds (distance) C4'-P energy: -94.257
bonds (distance) P-C4' energy: -109.393
flat angles C4'-P-C4' energy: -98.512
flat angles P-C4'-P energy: -82.871
tors. eta vs tors. theta energy: -62.676
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: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -754.159819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.159819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.159819 (E_RNA)
where:
Base-Base interactions energy: -425.795
where: short stacking energy: -226.421
Base-Backbone interact. energy: -0.041
local terms energy: -328.323227
where:
bonds (distance) C4'-P energy: -85.389
bonds (distance) P-C4' energy: -76.198
flat angles C4'-P-C4' energy: -91.250
flat angles P-C4'-P energy: -53.754
tors. eta vs tors. theta energy: -21.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -446.857740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.857740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.857740 (E_RNA)
where:
Base-Base interactions energy: -135.731
where: short stacking energy: -107.170
Base-Backbone interact. energy: 2.664
local terms energy: -313.790981
where:
bonds (distance) C4'-P energy: -98.879
bonds (distance) P-C4' energy: -90.808
flat angles C4'-P-C4' energy: -90.120
flat angles P-C4'-P energy: -53.489
tors. eta vs tors. theta energy: 19.505
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: 8
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -2034.997540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.997540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.997540 (E_RNA)
where:
Base-Base interactions energy: -1389.602
where: short stacking energy: -601.877
Base-Backbone interact. energy: -1.992
local terms energy: -643.403393
where:
bonds (distance) C4'-P energy: -127.406
bonds (distance) P-C4' energy: -120.855
flat angles C4'-P-C4' energy: -131.709
flat angles P-C4'-P energy: -84.382
tors. eta vs tors. theta energy: -179.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -2006.843450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.843450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.843450 (E_RNA)
where:
Base-Base interactions energy: -1400.196
where: short stacking energy: -615.436
Base-Backbone interact. energy: -1.510
local terms energy: -605.136772
where:
bonds (distance) C4'-P energy: -108.496
bonds (distance) P-C4' energy: -122.083
flat angles C4'-P-C4' energy: -115.165
flat angles P-C4'-P energy: -89.053
tors. eta vs tors. theta energy: -170.341
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: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1942.916640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.916640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.916640 (E_RNA)
where:
Base-Base interactions energy: -1352.279
where: short stacking energy: -579.549
Base-Backbone interact. energy: -1.917
local terms energy: -588.720668
where:
bonds (distance) C4'-P energy: -109.983
bonds (distance) P-C4' energy: -103.552
flat angles C4'-P-C4' energy: -131.248
flat angles P-C4'-P energy: -73.452
tors. eta vs tors. theta energy: -170.486
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: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1848.794903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.794903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.794903 (E_RNA)
where:
Base-Base interactions energy: -1294.767
where: short stacking energy: -559.148
Base-Backbone interact. energy: -0.961
local terms energy: -553.066732
where:
bonds (distance) C4'-P energy: -104.716
bonds (distance) P-C4' energy: -105.902
flat angles C4'-P-C4' energy: -105.987
flat angles P-C4'-P energy: -80.123
tors. eta vs tors. theta energy: -156.339
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: 6
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1693.133857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.133857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.133857 (E_RNA)
where:
Base-Base interactions energy: -1132.214
where: short stacking energy: -484.652
Base-Backbone interact. energy: -2.591
local terms energy: -558.329060
where:
bonds (distance) C4'-P energy: -96.492
bonds (distance) P-C4' energy: -111.378
flat angles C4'-P-C4' energy: -113.671
flat angles P-C4'-P energy: -81.305
tors. eta vs tors. theta energy: -155.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1373.860190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.860190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.860190 (E_RNA)
where:
Base-Base interactions energy: -900.388
where: short stacking energy: -393.044
Base-Backbone interact. energy: -0.298
local terms energy: -473.174334
where:
bonds (distance) C4'-P energy: -105.083
bonds (distance) P-C4' energy: -110.847
flat angles C4'-P-C4' energy: -102.672
flat angles P-C4'-P energy: -64.943
tors. eta vs tors. theta energy: -89.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1070.239244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.239244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.239244 (E_RNA)
where:
Base-Base interactions energy: -617.165
where: short stacking energy: -291.386
Base-Backbone interact. energy: -1.356
local terms energy: -451.717875
where:
bonds (distance) C4'-P energy: -107.185
bonds (distance) P-C4' energy: -105.947
flat angles C4'-P-C4' energy: -104.376
flat angles P-C4'-P energy: -66.472
tors. eta vs tors. theta energy: -67.737
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: 199
Temperature: 1.250000
Total energy: -1012.241161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.241161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.241161 (E_RNA)
where:
Base-Base interactions energy: -610.134
where: short stacking energy: -310.587
Base-Backbone interact. energy: 4.674
local terms energy: -406.781145
where:
bonds (distance) C4'-P energy: -93.632
bonds (distance) P-C4' energy: -98.740
flat angles C4'-P-C4' energy: -98.541
flat angles P-C4'-P energy: -58.698
tors. eta vs tors. theta energy: -57.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -709.862654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.862654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.862654 (E_RNA)
where:
Base-Base interactions energy: -365.282
where: short stacking energy: -218.318
Base-Backbone interact. energy: -2.325
local terms energy: -342.255894
where:
bonds (distance) C4'-P energy: -106.661
bonds (distance) P-C4' energy: -89.972
flat angles C4'-P-C4' energy: -87.137
flat angles P-C4'-P energy: -41.304
tors. eta vs tors. theta energy: -17.183
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: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -458.095660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.095660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.095660 (E_RNA)
where:
Base-Base interactions energy: -187.696
where: short stacking energy: -151.720
Base-Backbone interact. energy: 4.488
local terms energy: -274.888341
where:
bonds (distance) C4'-P energy: -78.188
bonds (distance) P-C4' energy: -105.034
flat angles C4'-P-C4' energy: -71.103
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -5.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -2031.615734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.615734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.615734 (E_RNA)
where:
Base-Base interactions energy: -1417.514
where: short stacking energy: -612.905
Base-Backbone interact. energy: -4.259
local terms energy: -609.842501
where:
bonds (distance) C4'-P energy: -110.830
bonds (distance) P-C4' energy: -116.249
flat angles C4'-P-C4' energy: -129.580
flat angles P-C4'-P energy: -84.071
tors. eta vs tors. theta energy: -169.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1977.202325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.202325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.202325 (E_RNA)
where:
Base-Base interactions energy: -1387.545
where: short stacking energy: -576.476
Base-Backbone interact. energy: -1.402
local terms energy: -588.256177
where:
bonds (distance) C4'-P energy: -83.491
bonds (distance) P-C4' energy: -117.745
flat angles C4'-P-C4' energy: -134.429
flat angles P-C4'-P energy: -78.414
tors. eta vs tors. theta energy: -174.178
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: 3, replica: 5
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1879.250711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.250711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.250711 (E_RNA)
where:
Base-Base interactions energy: -1299.541
where: short stacking energy: -527.241
Base-Backbone interact. energy: -2.786
local terms energy: -576.923905
where:
bonds (distance) C4'-P energy: -111.625
bonds (distance) P-C4' energy: -102.889
flat angles C4'-P-C4' energy: -128.978
flat angles P-C4'-P energy: -88.271
tors. eta vs tors. theta energy: -145.161
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: 4, replica: 7
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1825.518222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.518222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.518222 (E_RNA)
where:
Base-Base interactions energy: -1264.801
where: short stacking energy: -512.751
Base-Backbone interact. energy: 2.364
local terms energy: -563.081645
where:
bonds (distance) C4'-P energy: -103.587
bonds (distance) P-C4' energy: -112.467
flat angles C4'-P-C4' energy: -125.358
flat angles P-C4'-P energy: -77.909
tors. eta vs tors. theta energy: -143.760
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: 6
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1702.941079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.941079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.941079 (E_RNA)
where:
Base-Base interactions energy: -1131.525
where: short stacking energy: -492.178
Base-Backbone interact. energy: -0.465
local terms energy: -570.951072
where:
bonds (distance) C4'-P energy: -111.923
bonds (distance) P-C4' energy: -110.770
flat angles C4'-P-C4' energy: -105.686
flat angles P-C4'-P energy: -85.195
tors. eta vs tors. theta energy: -157.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1362.423027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.423027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.423027 (E_RNA)
where:
Base-Base interactions energy: -909.435
where: short stacking energy: -375.348
Base-Backbone interact. energy: 0.403
local terms energy: -453.391499
where:
bonds (distance) C4'-P energy: -91.053
bonds (distance) P-C4' energy: -95.855
flat angles C4'-P-C4' energy: -94.380
flat angles P-C4'-P energy: -76.229
tors. eta vs tors. theta energy: -95.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1075.234045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.234045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.234045 (E_RNA)
where:
Base-Base interactions energy: -631.836
where: short stacking energy: -300.482
Base-Backbone interact. energy: -3.258
local terms energy: -440.139508
where:
bonds (distance) C4'-P energy: -99.581
bonds (distance) P-C4' energy: -110.396
flat angles C4'-P-C4' energy: -116.130
flat angles P-C4'-P energy: -59.873
tors. eta vs tors. theta energy: -54.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1052.587706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.587706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.587706 (E_RNA)
where:
Base-Base interactions energy: -649.766
where: short stacking energy: -298.716
Base-Backbone interact. energy: 1.971
local terms energy: -404.792004
where:
bonds (distance) C4'-P energy: -86.223
bonds (distance) P-C4' energy: -105.390
flat angles C4'-P-C4' energy: -87.547
flat angles P-C4'-P energy: -56.258
tors. eta vs tors. theta energy: -69.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -776.746337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.746337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.746337 (E_RNA)
where:
Base-Base interactions energy: -412.179
where: short stacking energy: -196.140
Base-Backbone interact. energy: -1.775
local terms energy: -362.792047
where:
bonds (distance) C4'-P energy: -105.085
bonds (distance) P-C4' energy: -106.945
flat angles C4'-P-C4' energy: -95.671
flat angles P-C4'-P energy: -45.832
tors. eta vs tors. theta energy: -9.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -443.985641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.985641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.985641 (E_RNA)
where:
Base-Base interactions energy: -152.993
where: short stacking energy: -137.537
Base-Backbone interact. energy: 1.697
local terms energy: -292.689945
where:
bonds (distance) C4'-P energy: -78.501
bonds (distance) P-C4' energy: -100.870
flat angles C4'-P-C4' energy: -66.836
flat angles P-C4'-P energy: -54.235
tors. eta vs tors. theta energy: 7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -2037.782175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.782175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.782175 (E_RNA)
where:
Base-Base interactions energy: -1413.376
where: short stacking energy: -603.926
Base-Backbone interact. energy: -2.758
local terms energy: -621.648150
where:
bonds (distance) C4'-P energy: -113.472
bonds (distance) P-C4' energy: -118.328
flat angles C4'-P-C4' energy: -125.298
flat angles P-C4'-P energy: -88.115
tors. eta vs tors. theta energy: -176.435
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: 8
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1971.187952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.187952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.187952 (E_RNA)
where:
Base-Base interactions energy: -1354.177
where: short stacking energy: -557.059
Base-Backbone interact. energy: -3.685
local terms energy: -613.326116
where:
bonds (distance) C4'-P energy: -126.845
bonds (distance) P-C4' energy: -124.988
flat angles C4'-P-C4' energy: -124.157
flat angles P-C4'-P energy: -67.143
tors. eta vs tors. theta energy: -170.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1907.098794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.098794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.098794 (E_RNA)
where:
Base-Base interactions energy: -1335.269
where: short stacking energy: -548.088
Base-Backbone interact. energy: -2.586
local terms energy: -569.243862
where:
bonds (distance) C4'-P energy: -82.596
bonds (distance) P-C4' energy: -116.491
flat angles C4'-P-C4' energy: -121.181
flat angles P-C4'-P energy: -87.192
tors. eta vs tors. theta energy: -161.785
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: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1870.292947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.292947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.292947 (E_RNA)
where:
Base-Base interactions energy: -1282.311
where: short stacking energy: -544.341
Base-Backbone interact. energy: -1.326
local terms energy: -586.656135
where:
bonds (distance) C4'-P energy: -108.092
bonds (distance) P-C4' energy: -109.551
flat angles C4'-P-C4' energy: -125.229
flat angles P-C4'-P energy: -83.801
tors. eta vs tors. theta energy: -159.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1701.625879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.625879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.625879 (E_RNA)
where:
Base-Base interactions energy: -1176.210
where: short stacking energy: -463.744
Base-Backbone interact. energy: -3.665
local terms energy: -521.751026
where:
bonds (distance) C4'-P energy: -102.618
bonds (distance) P-C4' energy: -114.275
flat angles C4'-P-C4' energy: -103.634
flat angles P-C4'-P energy: -72.125
tors. eta vs tors. theta energy: -129.099
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: 201
Temperature: 1.150000
Total energy: -1346.188339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.188339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.188339 (E_RNA)
where:
Base-Base interactions energy: -868.715
where: short stacking energy: -382.752
Base-Backbone interact. energy: -1.262
local terms energy: -476.211860
where:
bonds (distance) C4'-P energy: -102.670
bonds (distance) P-C4' energy: -118.540
flat angles C4'-P-C4' energy: -98.335
flat angles P-C4'-P energy: -67.348
tors. eta vs tors. theta energy: -89.319
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: 7, replica: 4
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1154.726845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.726845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.726845 (E_RNA)
where:
Base-Base interactions energy: -709.667
where: short stacking energy: -326.810
Base-Backbone interact. energy: -1.285
local terms energy: -443.775186
where:
bonds (distance) C4'-P energy: -109.088
bonds (distance) P-C4' energy: -106.156
flat angles C4'-P-C4' energy: -100.076
flat angles P-C4'-P energy: -56.024
tors. eta vs tors. theta energy: -72.431
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: 1
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1020.395240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.395240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.395240 (E_RNA)
where:
Base-Base interactions energy: -617.992
where: short stacking energy: -293.423
Base-Backbone interact. energy: 4.738
local terms energy: -407.141695
where:
bonds (distance) C4'-P energy: -99.224
bonds (distance) P-C4' energy: -95.071
flat angles C4'-P-C4' energy: -96.035
flat angles P-C4'-P energy: -59.356
tors. eta vs tors. theta energy: -57.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -737.972509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.972509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.972509 (E_RNA)
where:
Base-Base interactions energy: -400.327
where: short stacking energy: -206.329
Base-Backbone interact. energy: -1.553
local terms energy: -336.092266
where:
bonds (distance) C4'-P energy: -91.331
bonds (distance) P-C4' energy: -98.790
flat angles C4'-P-C4' energy: -84.206
flat angles P-C4'-P energy: -42.020
tors. eta vs tors. theta energy: -19.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -448.470197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.470197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.470197 (E_RNA)
where:
Base-Base interactions energy: -163.122
where: short stacking energy: -122.783
Base-Backbone interact. energy: 4.223
local terms energy: -289.570949
where:
bonds (distance) C4'-P energy: -88.731
bonds (distance) P-C4' energy: -83.152
flat angles C4'-P-C4' energy: -87.883
flat angles P-C4'-P energy: -46.777
tors. eta vs tors. theta energy: 16.972
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: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -2045.335112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.335112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.335112 (E_RNA)
where:
Base-Base interactions energy: -1424.113
where: short stacking energy: -603.679
Base-Backbone interact. energy: 0.542
local terms energy: -621.764051
where:
bonds (distance) C4'-P energy: -118.410
bonds (distance) P-C4' energy: -118.982
flat angles C4'-P-C4' energy: -129.778
flat angles P-C4'-P energy: -81.786
tors. eta vs tors. theta energy: -172.807
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: 8
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1973.319601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.319601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.319601 (E_RNA)
where:
Base-Base interactions energy: -1373.451
where: short stacking energy: -567.889
Base-Backbone interact. energy: -6.028
local terms energy: -593.840989
where:
bonds (distance) C4'-P energy: -105.309
bonds (distance) P-C4' energy: -125.210
flat angles C4'-P-C4' energy: -126.838
flat angles P-C4'-P energy: -73.267
tors. eta vs tors. theta energy: -163.217
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: 5
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1895.005717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.005717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.005717 (E_RNA)
where:
Base-Base interactions energy: -1321.864
where: short stacking energy: -553.209
Base-Backbone interact. energy: -2.845
local terms energy: -570.297037
where:
bonds (distance) C4'-P energy: -111.942
bonds (distance) P-C4' energy: -101.996
flat angles C4'-P-C4' energy: -119.034
flat angles P-C4'-P energy: -77.139
tors. eta vs tors. theta energy: -160.187
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: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1878.355883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.355883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.355883 (E_RNA)
where:
Base-Base interactions energy: -1310.221
where: short stacking energy: -529.959
Base-Backbone interact. energy: -1.917
local terms energy: -566.218162
where:
bonds (distance) C4'-P energy: -105.733
bonds (distance) P-C4' energy: -85.153
flat angles C4'-P-C4' energy: -130.205
flat angles P-C4'-P energy: -82.427
tors. eta vs tors. theta energy: -162.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1743.242097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.242097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.242097 (E_RNA)
where:
Base-Base interactions energy: -1184.295
where: short stacking energy: -506.421
Base-Backbone interact. energy: 1.502
local terms energy: -560.448903
where:
bonds (distance) C4'-P energy: -107.115
bonds (distance) P-C4' energy: -97.560
flat angles C4'-P-C4' energy: -118.268
flat angles P-C4'-P energy: -77.400
tors. eta vs tors. theta energy: -160.106
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: 3
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1469.763624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.763624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.763624 (E_RNA)
where:
Base-Base interactions energy: -978.175
where: short stacking energy: -430.407
Base-Backbone interact. energy: -4.076
local terms energy: -487.513090
where:
bonds (distance) C4'-P energy: -105.997
bonds (distance) P-C4' energy: -101.030
flat angles C4'-P-C4' energy: -99.114
flat angles P-C4'-P energy: -73.689
tors. eta vs tors. theta energy: -107.683
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: 4
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1082.590195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.590195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.590195 (E_RNA)
where:
Base-Base interactions energy: -680.579
where: short stacking energy: -313.661
Base-Backbone interact. energy: -1.020
local terms energy: -400.991145
where:
bonds (distance) C4'-P energy: -94.925
bonds (distance) P-C4' energy: -73.311
flat angles C4'-P-C4' energy: -111.789
flat angles P-C4'-P energy: -67.426
tors. eta vs tors. theta energy: -53.539
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: 1
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1010.869103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.869103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.869103 (E_RNA)
where:
Base-Base interactions energy: -629.760
where: short stacking energy: -301.789
Base-Backbone interact. energy: 2.256
local terms energy: -383.365128
where:
bonds (distance) C4'-P energy: -84.211
bonds (distance) P-C4' energy: -97.605
flat angles C4'-P-C4' energy: -95.856
flat angles P-C4'-P energy: -50.899
tors. eta vs tors. theta energy: -54.794
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: 2
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -676.322806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.322806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.322806 (E_RNA)
where:
Base-Base interactions energy: -321.104
where: short stacking energy: -188.017
Base-Backbone interact. energy: 3.255
local terms energy: -358.474154
where:
bonds (distance) C4'-P energy: -92.095
bonds (distance) P-C4' energy: -104.300
flat angles C4'-P-C4' energy: -98.966
flat angles P-C4'-P energy: -42.887
tors. eta vs tors. theta energy: -20.227
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: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -472.831824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.831824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.831824 (E_RNA)
where:
Base-Base interactions energy: -193.652
where: short stacking energy: -151.419
Base-Backbone interact. energy: -1.747
local terms energy: -277.433072
where:
bonds (distance) C4'-P energy: -76.387
bonds (distance) P-C4' energy: -100.088
flat angles C4'-P-C4' energy: -75.955
flat angles P-C4'-P energy: -35.778
tors. eta vs tors. theta energy: 10.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -2022.378606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.378606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.378606 (E_RNA)
where:
Base-Base interactions energy: -1400.829
where: short stacking energy: -585.140
Base-Backbone interact. energy: -1.603
local terms energy: -619.946147
where:
bonds (distance) C4'-P energy: -113.662
bonds (distance) P-C4' energy: -114.905
flat angles C4'-P-C4' energy: -127.558
flat angles P-C4'-P energy: -90.001
tors. eta vs tors. theta energy: -173.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1985.401611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.401611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.401611 (E_RNA)
where:
Base-Base interactions energy: -1383.639
where: short stacking energy: -587.701
Base-Backbone interact. energy: 2.390
local terms energy: -604.152087
where:
bonds (distance) C4'-P energy: -102.748
bonds (distance) P-C4' energy: -127.420
flat angles C4'-P-C4' energy: -119.729
flat angles P-C4'-P energy: -81.802
tors. eta vs tors. theta energy: -172.454
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: 5
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1930.789337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.789337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.789337 (E_RNA)
where:
Base-Base interactions energy: -1321.847
where: short stacking energy: -551.525
Base-Backbone interact. energy: -1.905
local terms energy: -607.037332
where:
bonds (distance) C4'-P energy: -112.295
bonds (distance) P-C4' energy: -119.858
flat angles C4'-P-C4' energy: -131.553
flat angles P-C4'-P energy: -93.463
tors. eta vs tors. theta energy: -149.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1833.566565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.566565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.566565 (E_RNA)
where:
Base-Base interactions energy: -1271.215
where: short stacking energy: -517.699
Base-Backbone interact. energy: 1.243
local terms energy: -563.594570
where:
bonds (distance) C4'-P energy: -108.460
bonds (distance) P-C4' energy: -110.224
flat angles C4'-P-C4' energy: -115.441
flat angles P-C4'-P energy: -83.875
tors. eta vs tors. theta energy: -145.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1753.301238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.301238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.301238 (E_RNA)
where:
Base-Base interactions energy: -1173.874
where: short stacking energy: -496.386
Base-Backbone interact. energy: -1.400
local terms energy: -578.026565
where:
bonds (distance) C4'-P energy: -115.956
bonds (distance) P-C4' energy: -112.527
flat angles C4'-P-C4' energy: -121.679
flat angles P-C4'-P energy: -70.424
tors. eta vs tors. theta energy: -157.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1472.303874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.303874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.303874 (E_RNA)
where:
Base-Base interactions energy: -988.918
where: short stacking energy: -456.234
Base-Backbone interact. energy: 1.140
local terms energy: -484.525089
where:
bonds (distance) C4'-P energy: -80.829
bonds (distance) P-C4' energy: -103.269
flat angles C4'-P-C4' energy: -112.377
flat angles P-C4'-P energy: -75.358
tors. eta vs tors. theta energy: -112.692
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: 4
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1014.433250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.433250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.433250 (E_RNA)
where:
Base-Base interactions energy: -619.753
where: short stacking energy: -323.815
Base-Backbone interact. energy: 0.957
local terms energy: -395.637990
where:
bonds (distance) C4'-P energy: -79.895
bonds (distance) P-C4' energy: -117.526
flat angles C4'-P-C4' energy: -86.543
flat angles P-C4'-P energy: -62.334
tors. eta vs tors. theta energy: -49.340
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: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -996.599111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.599111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.599111 (E_RNA)
where:
Base-Base interactions energy: -599.332
where: short stacking energy: -296.037
Base-Backbone interact. energy: -1.255
local terms energy: -396.012567
where:
bonds (distance) C4'-P energy: -89.873
bonds (distance) P-C4' energy: -107.643
flat angles C4'-P-C4' energy: -109.266
flat angles P-C4'-P energy: -51.790
tors. eta vs tors. theta energy: -37.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -692.771664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.771664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.771664 (E_RNA)
where:
Base-Base interactions energy: -342.481
where: short stacking energy: -193.731
Base-Backbone interact. energy: -4.439
local terms energy: -345.851295
where:
bonds (distance) C4'-P energy: -84.410
bonds (distance) P-C4' energy: -103.010
flat angles C4'-P-C4' energy: -95.690
flat angles P-C4'-P energy: -33.580
tors. eta vs tors. theta energy: -29.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -480.338012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.338012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.338012 (E_RNA)
where:
Base-Base interactions energy: -165.222
where: short stacking energy: -141.878
Base-Backbone interact. energy: -2.861
local terms energy: -312.254675
where:
bonds (distance) C4'-P energy: -99.236
bonds (distance) P-C4' energy: -92.598
flat angles C4'-P-C4' energy: -64.832
flat angles P-C4'-P energy: -53.479
tors. eta vs tors. theta energy: -2.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1997.335532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.335532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.335532 (E_RNA)
where:
Base-Base interactions energy: -1385.116
where: short stacking energy: -591.944
Base-Backbone interact. energy: -2.803
local terms energy: -609.415822
where:
bonds (distance) C4'-P energy: -101.245
bonds (distance) P-C4' energy: -110.823
flat angles C4'-P-C4' energy: -132.633
flat angles P-C4'-P energy: -91.938
tors. eta vs tors. theta energy: -172.778
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: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -2006.652777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.652777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.652777 (E_RNA)
where:
Base-Base interactions energy: -1395.544
where: short stacking energy: -592.954
Base-Backbone interact. energy: 1.262
local terms energy: -612.370678
where:
bonds (distance) C4'-P energy: -107.894
bonds (distance) P-C4' energy: -112.716
flat angles C4'-P-C4' energy: -133.286
flat angles P-C4'-P energy: -92.779
tors. eta vs tors. theta energy: -165.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1906.923350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.923350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.923350 (E_RNA)
where:
Base-Base interactions energy: -1291.137
where: short stacking energy: -559.134
Base-Backbone interact. energy: -2.459
local terms energy: -613.327505
where:
bonds (distance) C4'-P energy: -99.996
bonds (distance) P-C4' energy: -122.565
flat angles C4'-P-C4' energy: -137.903
flat angles P-C4'-P energy: -89.090
tors. eta vs tors. theta energy: -163.774
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: 7
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1878.850807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.850807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.850807 (E_RNA)
where:
Base-Base interactions energy: -1310.134
where: short stacking energy: -551.514
Base-Backbone interact. energy: -0.843
local terms energy: -567.874452
where:
bonds (distance) C4'-P energy: -90.798
bonds (distance) P-C4' energy: -118.154
flat angles C4'-P-C4' energy: -124.395
flat angles P-C4'-P energy: -74.597
tors. eta vs tors. theta energy: -159.931
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: 6
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1752.544907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.544907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.544907 (E_RNA)
where:
Base-Base interactions energy: -1203.183
where: short stacking energy: -501.737
Base-Backbone interact. energy: -1.204
local terms energy: -548.157183
where:
bonds (distance) C4'-P energy: -83.929
bonds (distance) P-C4' energy: -105.406
flat angles C4'-P-C4' energy: -115.816
flat angles P-C4'-P energy: -85.493
tors. eta vs tors. theta energy: -157.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1435.000391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.000391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.000391 (E_RNA)
where:
Base-Base interactions energy: -930.672
where: short stacking energy: -412.356
Base-Backbone interact. energy: 5.179
local terms energy: -509.507551
where:
bonds (distance) C4'-P energy: -104.820
bonds (distance) P-C4' energy: -117.033
flat angles C4'-P-C4' energy: -103.885
flat angles P-C4'-P energy: -80.708
tors. eta vs tors. theta energy: -103.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1118.526803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.526803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.526803 (E_RNA)
where:
Base-Base interactions energy: -683.654
where: short stacking energy: -330.667
Base-Backbone interact. energy: -0.663
local terms energy: -434.209835
where:
bonds (distance) C4'-P energy: -104.271
bonds (distance) P-C4' energy: -113.180
flat angles C4'-P-C4' energy: -100.942
flat angles P-C4'-P energy: -55.338
tors. eta vs tors. theta energy: -60.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -978.979256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.979256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.979256 (E_RNA)
where:
Base-Base interactions energy: -584.485
where: short stacking energy: -281.627
Base-Backbone interact. energy: -0.541
local terms energy: -393.952956
where:
bonds (distance) C4'-P energy: -90.237
bonds (distance) P-C4' energy: -112.853
flat angles C4'-P-C4' energy: -86.020
flat angles P-C4'-P energy: -57.741
tors. eta vs tors. theta energy: -47.102
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: 204
Temperature: 1.300000
Total energy: -624.027497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.027497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.027497 (E_RNA)
where:
Base-Base interactions energy: -299.925
where: short stacking energy: -165.107
Base-Backbone interact. energy: -0.410
local terms energy: -323.691934
where:
bonds (distance) C4'-P energy: -78.240
bonds (distance) P-C4' energy: -101.387
flat angles C4'-P-C4' energy: -95.926
flat angles P-C4'-P energy: -55.905
tors. eta vs tors. theta energy: 7.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -540.115622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.115622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.115622 (E_RNA)
where:
Base-Base interactions energy: -243.604
where: short stacking energy: -162.652
Base-Backbone interact. energy: 1.536
local terms energy: -298.047273
where:
bonds (distance) C4'-P energy: -97.609
bonds (distance) P-C4' energy: -82.336
flat angles C4'-P-C4' energy: -83.154
flat angles P-C4'-P energy: -45.513
tors. eta vs tors. theta energy: 10.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -2018.658544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.658544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.658544 (E_RNA)
where:
Base-Base interactions energy: -1390.898
where: short stacking energy: -581.570
Base-Backbone interact. energy: -2.936
local terms energy: -624.824319
where:
bonds (distance) C4'-P energy: -112.508
bonds (distance) P-C4' energy: -117.476
flat angles C4'-P-C4' energy: -136.673
flat angles P-C4'-P energy: -90.742
tors. eta vs tors. theta energy: -167.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1996.858967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.858967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.858967 (E_RNA)
where:
Base-Base interactions energy: -1400.836
where: short stacking energy: -589.611
Base-Backbone interact. energy: 2.739
local terms energy: -598.762095
where:
bonds (distance) C4'-P energy: -116.022
bonds (distance) P-C4' energy: -109.033
flat angles C4'-P-C4' energy: -115.110
flat angles P-C4'-P energy: -92.266
tors. eta vs tors. theta energy: -166.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1926.824518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.824518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.824518 (E_RNA)
where:
Base-Base interactions energy: -1331.434
where: short stacking energy: -578.994
Base-Backbone interact. energy: -2.234
local terms energy: -593.156501
where:
bonds (distance) C4'-P energy: -109.429
bonds (distance) P-C4' energy: -116.998
flat angles C4'-P-C4' energy: -124.126
flat angles P-C4'-P energy: -71.344
tors. eta vs tors. theta energy: -171.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1842.043866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.043866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.043866 (E_RNA)
where:
Base-Base interactions energy: -1269.240
where: short stacking energy: -540.727
Base-Backbone interact. energy: -2.184
local terms energy: -570.619434
where:
bonds (distance) C4'-P energy: -101.918
bonds (distance) P-C4' energy: -107.320
flat angles C4'-P-C4' energy: -123.134
flat angles P-C4'-P energy: -88.075
tors. eta vs tors. theta energy: -150.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1740.545266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.545266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.545266 (E_RNA)
where:
Base-Base interactions energy: -1184.848
where: short stacking energy: -488.184
Base-Backbone interact. energy: 0.274
local terms energy: -555.971425
where:
bonds (distance) C4'-P energy: -110.813
bonds (distance) P-C4' energy: -112.226
flat angles C4'-P-C4' energy: -113.552
flat angles P-C4'-P energy: -84.663
tors. eta vs tors. theta energy: -134.717
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: 205
Temperature: 1.150000
Total energy: -1406.776513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.776513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.776513 (E_RNA)
where:
Base-Base interactions energy: -900.453
where: short stacking energy: -399.249
Base-Backbone interact. energy: 0.678
local terms energy: -507.001515
where:
bonds (distance) C4'-P energy: -109.406
bonds (distance) P-C4' energy: -121.514
flat angles C4'-P-C4' energy: -104.634
flat angles P-C4'-P energy: -71.251
tors. eta vs tors. theta energy: -100.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1148.968255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.968255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.968255 (E_RNA)
where:
Base-Base interactions energy: -723.807
where: short stacking energy: -318.567
Base-Backbone interact. energy: -0.730
local terms energy: -424.431412
where:
bonds (distance) C4'-P energy: -107.090
bonds (distance) P-C4' energy: -106.286
flat angles C4'-P-C4' energy: -103.316
flat angles P-C4'-P energy: -54.487
tors. eta vs tors. theta energy: -53.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1074.520157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.520157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.520157 (E_RNA)
where:
Base-Base interactions energy: -677.085
where: short stacking energy: -294.366
Base-Backbone interact. energy: -1.519
local terms energy: -395.915768
where:
bonds (distance) C4'-P energy: -95.850
bonds (distance) P-C4' energy: -94.328
flat angles C4'-P-C4' energy: -98.336
flat angles P-C4'-P energy: -54.138
tors. eta vs tors. theta energy: -53.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -665.908621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.908621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.908621 (E_RNA)
where:
Base-Base interactions energy: -331.647
where: short stacking energy: -188.902
Base-Backbone interact. energy: 0.108
local terms energy: -334.370108
where:
bonds (distance) C4'-P energy: -92.789
bonds (distance) P-C4' energy: -89.551
flat angles C4'-P-C4' energy: -89.986
flat angles P-C4'-P energy: -55.466
tors. eta vs tors. theta energy: -6.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -525.172403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.172403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.172403 (E_RNA)
where:
Base-Base interactions energy: -215.767
where: short stacking energy: -133.023
Base-Backbone interact. energy: -1.401
local terms energy: -308.003920
where:
bonds (distance) C4'-P energy: -89.586
bonds (distance) P-C4' energy: -85.385
flat angles C4'-P-C4' energy: -81.526
flat angles P-C4'-P energy: -57.824
tors. eta vs tors. theta energy: 6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -2024.162218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.162218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.162218 (E_RNA)
where:
Base-Base interactions energy: -1412.804
where: short stacking energy: -583.451
Base-Backbone interact. energy: -4.927
local terms energy: -606.430927
where:
bonds (distance) C4'-P energy: -108.587
bonds (distance) P-C4' energy: -113.676
flat angles C4'-P-C4' energy: -122.691
flat angles P-C4'-P energy: -90.814
tors. eta vs tors. theta energy: -170.664
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: 9
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -2000.810938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.810938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.810938 (E_RNA)
where:
Base-Base interactions energy: -1390.248
where: short stacking energy: -576.566
Base-Backbone interact. energy: -0.843
local terms energy: -609.720105
where:
bonds (distance) C4'-P energy: -112.974
bonds (distance) P-C4' energy: -111.625
flat angles C4'-P-C4' energy: -126.859
flat angles P-C4'-P energy: -88.794
tors. eta vs tors. theta energy: -169.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1899.592873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.592873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.592873 (E_RNA)
where:
Base-Base interactions energy: -1302.292
where: short stacking energy: -544.538
Base-Backbone interact. energy: 0.880
local terms energy: -598.180652
where:
bonds (distance) C4'-P energy: -123.714
bonds (distance) P-C4' energy: -102.991
flat angles C4'-P-C4' energy: -125.437
flat angles P-C4'-P energy: -83.698
tors. eta vs tors. theta energy: -162.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -1843.562120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.562120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.562120 (E_RNA)
where:
Base-Base interactions energy: -1255.654
where: short stacking energy: -538.279
Base-Backbone interact. energy: 2.147
local terms energy: -590.055786
where:
bonds (distance) C4'-P energy: -99.867
bonds (distance) P-C4' energy: -115.959
flat angles C4'-P-C4' energy: -137.113
flat angles P-C4'-P energy: -68.446
tors. eta vs tors. theta energy: -168.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1733.418463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.418463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.418463 (E_RNA)
where:
Base-Base interactions energy: -1222.678
where: short stacking energy: -503.991
Base-Backbone interact. energy: -0.365
local terms energy: -510.375204
where:
bonds (distance) C4'-P energy: -91.498
bonds (distance) P-C4' energy: -102.073
flat angles C4'-P-C4' energy: -115.976
flat angles P-C4'-P energy: -53.569
tors. eta vs tors. theta energy: -147.259
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: 206
Temperature: 1.150000
Total energy: -1437.808042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.808042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.808042 (E_RNA)
where:
Base-Base interactions energy: -937.785
where: short stacking energy: -402.362
Base-Backbone interact. energy: -0.626
local terms energy: -499.397700
where:
bonds (distance) C4'-P energy: -97.634
bonds (distance) P-C4' energy: -114.953
flat angles C4'-P-C4' energy: -114.988
flat angles P-C4'-P energy: -80.842
tors. eta vs tors. theta energy: -90.981
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: 206
Temperature: 1.200000
Total energy: -1106.611709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.611709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.611709 (E_RNA)
where:
Base-Base interactions energy: -684.868
where: short stacking energy: -329.153
Base-Backbone interact. energy: -1.378
local terms energy: -420.365410
where:
bonds (distance) C4'-P energy: -100.119
bonds (distance) P-C4' energy: -100.687
flat angles C4'-P-C4' energy: -99.132
flat angles P-C4'-P energy: -59.588
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: 8, replica: 4
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1049.906830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.906830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.906830 (E_RNA)
where:
Base-Base interactions energy: -660.234
where: short stacking energy: -302.478
Base-Backbone interact. energy: -2.236
local terms energy: -387.436024
where:
bonds (distance) C4'-P energy: -73.995
bonds (distance) P-C4' energy: -94.820
flat angles C4'-P-C4' energy: -99.012
flat angles P-C4'-P energy: -58.565
tors. eta vs tors. theta energy: -61.045
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: 2
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -693.870578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.870578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.870578 (E_RNA)
where:
Base-Base interactions energy: -348.496
where: short stacking energy: -200.076
Base-Backbone interact. energy: -2.654
local terms energy: -342.720504
where:
bonds (distance) C4'-P energy: -98.451
bonds (distance) P-C4' energy: -96.548
flat angles C4'-P-C4' energy: -101.156
flat angles P-C4'-P energy: -46.375
tors. eta vs tors. theta energy: -0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -575.037961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.037961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.037961 (E_RNA)
where:
Base-Base interactions energy: -262.181
where: short stacking energy: -156.864
Base-Backbone interact. energy: 3.594
local terms energy: -316.451420
where:
bonds (distance) C4'-P energy: -89.910
bonds (distance) P-C4' energy: -118.306
flat angles C4'-P-C4' energy: -86.171
flat angles P-C4'-P energy: -38.724
tors. eta vs tors. theta energy: 16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -2011.990231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.990231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.990231 (E_RNA)
where:
Base-Base interactions energy: -1398.980
where: short stacking energy: -583.066
Base-Backbone interact. energy: -3.146
local terms energy: -609.865071
where:
bonds (distance) C4'-P energy: -116.942
bonds (distance) P-C4' energy: -105.144
flat angles C4'-P-C4' energy: -133.628
flat angles P-C4'-P energy: -96.130
tors. eta vs tors. theta energy: -158.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1997.320131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.320131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.320131 (E_RNA)
where:
Base-Base interactions energy: -1378.016
where: short stacking energy: -589.408
Base-Backbone interact. energy: 4.125
local terms energy: -623.429397
where:
bonds (distance) C4'-P energy: -103.044
bonds (distance) P-C4' energy: -121.537
flat angles C4'-P-C4' energy: -133.490
flat angles P-C4'-P energy: -95.878
tors. eta vs tors. theta energy: -169.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1883.245687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.245687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.245687 (E_RNA)
where:
Base-Base interactions energy: -1282.460
where: short stacking energy: -553.818
Base-Backbone interact. energy: -0.923
local terms energy: -599.862975
where:
bonds (distance) C4'-P energy: -114.118
bonds (distance) P-C4' energy: -104.467
flat angles C4'-P-C4' energy: -132.545
flat angles P-C4'-P energy: -87.418
tors. eta vs tors. theta energy: -161.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1851.119679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.119679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.119679 (E_RNA)
where:
Base-Base interactions energy: -1277.934
where: short stacking energy: -512.156
Base-Backbone interact. energy: -2.150
local terms energy: -571.036285
where:
bonds (distance) C4'-P energy: -105.092
bonds (distance) P-C4' energy: -115.040
flat angles C4'-P-C4' energy: -112.991
flat angles P-C4'-P energy: -77.134
tors. eta vs tors. theta energy: -160.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1723.607788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.607788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.607788 (E_RNA)
where:
Base-Base interactions energy: -1189.379
where: short stacking energy: -488.635
Base-Backbone interact. energy: -1.537
local terms energy: -532.691859
where:
bonds (distance) C4'-P energy: -86.984
bonds (distance) P-C4' energy: -108.987
flat angles C4'-P-C4' energy: -111.913
flat angles P-C4'-P energy: -78.997
tors. eta vs tors. theta energy: -145.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1450.000832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.000832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.000832 (E_RNA)
where:
Base-Base interactions energy: -977.100
where: short stacking energy: -423.460
Base-Backbone interact. energy: -2.453
local terms energy: -470.448424
where:
bonds (distance) C4'-P energy: -104.859
bonds (distance) P-C4' energy: -90.622
flat angles C4'-P-C4' energy: -113.085
flat angles P-C4'-P energy: -59.863
tors. eta vs tors. theta energy: -102.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -1131.320651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.320651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.320651 (E_RNA)
where:
Base-Base interactions energy: -728.249
where: short stacking energy: -324.258
Base-Backbone interact. energy: 0.880
local terms energy: -403.951402
where:
bonds (distance) C4'-P energy: -82.218
bonds (distance) P-C4' energy: -108.347
flat angles C4'-P-C4' energy: -98.692
flat angles P-C4'-P energy: -48.624
tors. eta vs tors. theta energy: -66.070
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: 8, replica: 4
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1007.101725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.101725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.101725 (E_RNA)
where:
Base-Base interactions energy: -589.513
where: short stacking energy: -299.390
Base-Backbone interact. energy: 4.395
local terms energy: -421.983960
where:
bonds (distance) C4'-P energy: -91.565
bonds (distance) P-C4' energy: -93.005
flat angles C4'-P-C4' energy: -116.529
flat angles P-C4'-P energy: -63.117
tors. eta vs tors. theta energy: -57.768
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: 9, replica: 2
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -729.972362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.972362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.972362 (E_RNA)
where:
Base-Base interactions energy: -398.015
where: short stacking energy: -224.550
Base-Backbone interact. energy: -2.341
local terms energy: -329.616546
where:
bonds (distance) C4'-P energy: -91.062
bonds (distance) P-C4' energy: -96.371
flat angles C4'-P-C4' energy: -86.130
flat angles P-C4'-P energy: -50.314
tors. eta vs tors. theta energy: -5.739
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: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -532.477174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.477174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.477174 (E_RNA)
where:
Base-Base interactions energy: -233.560
where: short stacking energy: -152.819
Base-Backbone interact. energy: -1.512
local terms energy: -297.405399
where:
bonds (distance) C4'-P energy: -76.594
bonds (distance) P-C4' energy: -105.656
flat angles C4'-P-C4' energy: -66.346
flat angles P-C4'-P energy: -59.503
tors. eta vs tors. theta energy: 10.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -2030.502966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.502966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.502966 (E_RNA)
where:
Base-Base interactions energy: -1411.978
where: short stacking energy: -598.315
Base-Backbone interact. energy: -2.707
local terms energy: -615.818097
where:
bonds (distance) C4'-P energy: -118.456
bonds (distance) P-C4' energy: -120.760
flat angles C4'-P-C4' energy: -130.581
flat angles P-C4'-P energy: -74.734
tors. eta vs tors. theta energy: -171.288
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: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1969.838346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.838346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.838346 (E_RNA)
where:
Base-Base interactions energy: -1342.790
where: short stacking energy: -570.425
Base-Backbone interact. energy: -4.962
local terms energy: -622.086638
where:
bonds (distance) C4'-P energy: -113.975
bonds (distance) P-C4' energy: -117.180
flat angles C4'-P-C4' energy: -139.972
flat angles P-C4'-P energy: -86.174
tors. eta vs tors. theta energy: -164.786
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: 3, replica: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1945.211667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.211667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.211667 (E_RNA)
where:
Base-Base interactions energy: -1351.268
where: short stacking energy: -564.755
Base-Backbone interact. energy: -0.690
local terms energy: -593.253262
where:
bonds (distance) C4'-P energy: -110.879
bonds (distance) P-C4' energy: -102.873
flat angles C4'-P-C4' energy: -128.559
flat angles P-C4'-P energy: -83.227
tors. eta vs tors. theta energy: -167.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -1848.293718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.293718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.293718 (E_RNA)
where:
Base-Base interactions energy: -1294.044
where: short stacking energy: -571.397
Base-Backbone interact. energy: -1.837
local terms energy: -552.413049
where:
bonds (distance) C4'-P energy: -89.305
bonds (distance) P-C4' energy: -113.653
flat angles C4'-P-C4' energy: -121.329
flat angles P-C4'-P energy: -69.579
tors. eta vs tors. theta energy: -158.547
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: 5, replica: 6
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1693.086980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.086980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.086980 (E_RNA)
where:
Base-Base interactions energy: -1153.301
where: short stacking energy: -499.200
Base-Backbone interact. energy: -2.869
local terms energy: -536.917011
where:
bonds (distance) C4'-P energy: -118.256
bonds (distance) P-C4' energy: -109.248
flat angles C4'-P-C4' energy: -106.525
flat angles P-C4'-P energy: -60.937
tors. eta vs tors. theta energy: -141.950
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: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1449.142112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.142112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.142112 (E_RNA)
where:
Base-Base interactions energy: -948.713
where: short stacking energy: -410.199
Base-Backbone interact. energy: -1.236
local terms energy: -499.193425
where:
bonds (distance) C4'-P energy: -93.505
bonds (distance) P-C4' energy: -102.346
flat angles C4'-P-C4' energy: -107.036
flat angles P-C4'-P energy: -79.041
tors. eta vs tors. theta energy: -117.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1091.726999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.726999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.726999 (E_RNA)
where:
Base-Base interactions energy: -661.383
where: short stacking energy: -311.641
Base-Backbone interact. energy: -3.767
local terms energy: -426.576308
where:
bonds (distance) C4'-P energy: -100.018
bonds (distance) P-C4' energy: -109.769
flat angles C4'-P-C4' energy: -97.040
flat angles P-C4'-P energy: -61.655
tors. eta vs tors. theta energy: -58.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1058.324799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.324799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.324799 (E_RNA)
where:
Base-Base interactions energy: -631.307
where: short stacking energy: -316.488
Base-Backbone interact. energy: -0.121
local terms energy: -426.896257
where:
bonds (distance) C4'-P energy: -96.941
bonds (distance) P-C4' energy: -110.066
flat angles C4'-P-C4' energy: -94.023
flat angles P-C4'-P energy: -65.191
tors. eta vs tors. theta energy: -60.676
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: 2
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -677.042301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.042301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.042301 (E_RNA)
where:
Base-Base interactions energy: -338.833
where: short stacking energy: -193.485
Base-Backbone interact. energy: 0.684
local terms energy: -338.893524
where:
bonds (distance) C4'-P energy: -82.961
bonds (distance) P-C4' energy: -99.729
flat angles C4'-P-C4' energy: -101.908
flat angles P-C4'-P energy: -50.011
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -583.449512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.449512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.449512 (E_RNA)
where:
Base-Base interactions energy: -274.809
where: short stacking energy: -194.795
Base-Backbone interact. energy: -1.517
local terms energy: -307.123322
where:
bonds (distance) C4'-P energy: -91.126
bonds (distance) P-C4' energy: -75.526
flat angles C4'-P-C4' energy: -85.216
flat angles P-C4'-P energy: -56.822
tors. eta vs tors. theta energy: 1.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -2043.643436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.643436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.643436 (E_RNA)
where:
Base-Base interactions energy: -1440.388
where: short stacking energy: -599.278
Base-Backbone interact. energy: -1.978
local terms energy: -601.277414
where:
bonds (distance) C4'-P energy: -111.596
bonds (distance) P-C4' energy: -113.129
flat angles C4'-P-C4' energy: -122.131
flat angles P-C4'-P energy: -83.248
tors. eta vs tors. theta energy: -171.174
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: 2, replica: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1962.794234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.794234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.794234 (E_RNA)
where:
Base-Base interactions energy: -1371.609
where: short stacking energy: -559.745
Base-Backbone interact. energy: -2.999
local terms energy: -588.186338
where:
bonds (distance) C4'-P energy: -111.508
bonds (distance) P-C4' energy: -118.715
flat angles C4'-P-C4' energy: -110.606
flat angles P-C4'-P energy: -90.977
tors. eta vs tors. theta energy: -156.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -1909.590379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.590379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.590379 (E_RNA)
where:
Base-Base interactions energy: -1321.614
where: short stacking energy: -550.936
Base-Backbone interact. energy: -0.780
local terms energy: -587.196352
where:
bonds (distance) C4'-P energy: -98.872
bonds (distance) P-C4' energy: -123.231
flat angles C4'-P-C4' energy: -125.412
flat angles P-C4'-P energy: -78.792
tors. eta vs tors. theta energy: -160.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1839.535600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.535600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.535600 (E_RNA)
where:
Base-Base interactions energy: -1270.678
where: short stacking energy: -563.136
Base-Backbone interact. energy: -1.368
local terms energy: -567.488968
where:
bonds (distance) C4'-P energy: -92.030
bonds (distance) P-C4' energy: -109.780
flat angles C4'-P-C4' energy: -128.471
flat angles P-C4'-P energy: -80.262
tors. eta vs tors. theta energy: -156.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1743.583956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.583956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.583956 (E_RNA)
where:
Base-Base interactions energy: -1216.731
where: short stacking energy: -508.879
Base-Backbone interact. energy: -4.771
local terms energy: -522.082305
where:
bonds (distance) C4'-P energy: -106.479
bonds (distance) P-C4' energy: -99.543
flat angles C4'-P-C4' energy: -112.025
flat angles P-C4'-P energy: -59.951
tors. eta vs tors. theta energy: -144.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1441.621510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.621510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.621510 (E_RNA)
where:
Base-Base interactions energy: -967.913
where: short stacking energy: -399.003
Base-Backbone interact. energy: -2.404
local terms energy: -471.304982
where:
bonds (distance) C4'-P energy: -85.239
bonds (distance) P-C4' energy: -100.163
flat angles C4'-P-C4' energy: -106.773
flat angles P-C4'-P energy: -68.996
tors. eta vs tors. theta energy: -110.135
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: 209
Temperature: 1.200000
Total energy: -1067.298410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.298410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.298410 (E_RNA)
where:
Base-Base interactions energy: -632.527
where: short stacking energy: -320.554
Base-Backbone interact. energy: -3.609
local terms energy: -431.162608
where:
bonds (distance) C4'-P energy: -106.322
bonds (distance) P-C4' energy: -106.592
flat angles C4'-P-C4' energy: -91.633
flat angles P-C4'-P energy: -66.950
tors. eta vs tors. theta energy: -59.666
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: 209
Temperature: 1.250000
Total energy: -964.257095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.257095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.257095 (E_RNA)
where:
Base-Base interactions energy: -596.096
where: short stacking energy: -292.420
Base-Backbone interact. energy: 2.497
local terms energy: -370.658209
where:
bonds (distance) C4'-P energy: -78.961
bonds (distance) P-C4' energy: -93.794
flat angles C4'-P-C4' energy: -93.093
flat angles P-C4'-P energy: -54.985
tors. eta vs tors. theta energy: -49.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -695.827369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.827369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.827369 (E_RNA)
where:
Base-Base interactions energy: -374.442
where: short stacking energy: -190.368
Base-Backbone interact. energy: 3.172
local terms energy: -324.557311
where:
bonds (distance) C4'-P energy: -86.651
bonds (distance) P-C4' energy: -94.030
flat angles C4'-P-C4' energy: -88.678
flat angles P-C4'-P energy: -53.163
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -530.005541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.005541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.005541 (E_RNA)
where:
Base-Base interactions energy: -224.187
where: short stacking energy: -155.744
Base-Backbone interact. energy: -1.459
local terms energy: -304.359928
where:
bonds (distance) C4'-P energy: -82.288
bonds (distance) P-C4' energy: -98.104
flat angles C4'-P-C4' energy: -84.420
flat angles P-C4'-P energy: -51.986
tors. eta vs tors. theta energy: 12.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -2023.650190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.650190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.650190 (E_RNA)
where:
Base-Base interactions energy: -1373.002
where: short stacking energy: -592.667
Base-Backbone interact. energy: -1.587
local terms energy: -649.060933
where:
bonds (distance) C4'-P energy: -110.101
bonds (distance) P-C4' energy: -121.020
flat angles C4'-P-C4' energy: -138.668
flat angles P-C4'-P energy: -103.785
tors. eta vs tors. theta energy: -175.488
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: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1974.309124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.309124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.309124 (E_RNA)
where:
Base-Base interactions energy: -1356.973
where: short stacking energy: -555.918
Base-Backbone interact. energy: -1.487
local terms energy: -615.849610
where:
bonds (distance) C4'-P energy: -107.247
bonds (distance) P-C4' energy: -124.674
flat angles C4'-P-C4' energy: -133.744
flat angles P-C4'-P energy: -81.222
tors. eta vs tors. theta energy: -168.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -1905.663886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.663886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.663886 (E_RNA)
where:
Base-Base interactions energy: -1315.654
where: short stacking energy: -541.471
Base-Backbone interact. energy: 0.301
local terms energy: -590.311175
where:
bonds (distance) C4'-P energy: -106.536
bonds (distance) P-C4' energy: -105.435
flat angles C4'-P-C4' energy: -120.284
flat angles P-C4'-P energy: -92.508
tors. eta vs tors. theta energy: -165.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1791.549610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.549610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.549610 (E_RNA)
where:
Base-Base interactions energy: -1226.987
where: short stacking energy: -535.505
Base-Backbone interact. energy: 1.479
local terms energy: -566.041437
where:
bonds (distance) C4'-P energy: -102.723
bonds (distance) P-C4' energy: -110.825
flat angles C4'-P-C4' energy: -111.991
flat angles P-C4'-P energy: -83.199
tors. eta vs tors. theta energy: -157.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1795.199292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.199292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.199292 (E_RNA)
where:
Base-Base interactions energy: -1223.655
where: short stacking energy: -545.884
Base-Backbone interact. energy: -1.729
local terms energy: -569.815424
where:
bonds (distance) C4'-P energy: -93.888
bonds (distance) P-C4' energy: -116.348
flat angles C4'-P-C4' energy: -120.584
flat angles P-C4'-P energy: -73.555
tors. eta vs tors. theta energy: -165.441
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: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1384.941578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.941578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.941578 (E_RNA)
where:
Base-Base interactions energy: -892.952
where: short stacking energy: -392.314
Base-Backbone interact. energy: -3.634
local terms energy: -488.355166
where:
bonds (distance) C4'-P energy: -97.408
bonds (distance) P-C4' energy: -99.067
flat angles C4'-P-C4' energy: -113.632
flat angles P-C4'-P energy: -65.548
tors. eta vs tors. theta energy: -112.700
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: 7, replica: 1
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1025.609082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.609082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.609082 (E_RNA)
where:
Base-Base interactions energy: -621.022
where: short stacking energy: -282.296
Base-Backbone interact. energy: -0.920
local terms energy: -403.667002
where:
bonds (distance) C4'-P energy: -101.799
bonds (distance) P-C4' energy: -85.102
flat angles C4'-P-C4' energy: -107.253
flat angles P-C4'-P energy: -60.115
tors. eta vs tors. theta energy: -49.399
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: 210
Temperature: 1.250000
Total energy: -978.791128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.791128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.791128 (E_RNA)
where:
Base-Base interactions energy: -587.573
where: short stacking energy: -278.954
Base-Backbone interact. energy: 1.215
local terms energy: -392.432969
where:
bonds (distance) C4'-P energy: -84.950
bonds (distance) P-C4' energy: -98.254
flat angles C4'-P-C4' energy: -104.724
flat angles P-C4'-P energy: -54.632
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: 9, replica: 2
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -623.544992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.544992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.544992 (E_RNA)
where:
Base-Base interactions energy: -301.866
where: short stacking energy: -171.640
Base-Backbone interact. energy: -0.601
local terms energy: -321.078228
where:
bonds (distance) C4'-P energy: -88.584
bonds (distance) P-C4' energy: -97.764
flat angles C4'-P-C4' energy: -86.351
flat angles P-C4'-P energy: -54.209
tors. eta vs tors. theta energy: 5.830
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: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -549.294073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.294073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.294073 (E_RNA)
where:
Base-Base interactions energy: -226.955
where: short stacking energy: -130.614
Base-Backbone interact. energy: -0.110
local terms energy: -322.228586
where:
bonds (distance) C4'-P energy: -88.425
bonds (distance) P-C4' energy: -107.303
flat angles C4'-P-C4' energy: -80.020
flat angles P-C4'-P energy: -43.071
tors. eta vs tors. theta energy: -3.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -2036.496830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.496830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.496830 (E_RNA)
where:
Base-Base interactions energy: -1405.905
where: short stacking energy: -585.473
Base-Backbone interact. energy: -0.651
local terms energy: -629.940737
where:
bonds (distance) C4'-P energy: -117.813
bonds (distance) P-C4' energy: -117.518
flat angles C4'-P-C4' energy: -135.036
flat angles P-C4'-P energy: -87.968
tors. eta vs tors. theta energy: -171.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1991.495747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.495747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.495747 (E_RNA)
where:
Base-Base interactions energy: -1384.620
where: short stacking energy: -567.142
Base-Backbone interact. energy: -5.309
local terms energy: -601.567226
where:
bonds (distance) C4'-P energy: -105.858
bonds (distance) P-C4' energy: -111.496
flat angles C4'-P-C4' energy: -131.544
flat angles P-C4'-P energy: -88.671
tors. eta vs tors. theta energy: -163.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1926.342483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.342483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.342483 (E_RNA)
where:
Base-Base interactions energy: -1309.522
where: short stacking energy: -523.409
Base-Backbone interact. energy: 0.491
local terms energy: -617.311737
where:
bonds (distance) C4'-P energy: -105.753
bonds (distance) P-C4' energy: -118.410
flat angles C4'-P-C4' energy: -122.680
flat angles P-C4'-P energy: -102.062
tors. eta vs tors. theta energy: -168.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1860.264744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.264744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.264744 (E_RNA)
where:
Base-Base interactions energy: -1279.628
where: short stacking energy: -564.402
Base-Backbone interact. energy: -1.712
local terms energy: -578.924783
where:
bonds (distance) C4'-P energy: -93.618
bonds (distance) P-C4' energy: -122.719
flat angles C4'-P-C4' energy: -117.936
flat angles P-C4'-P energy: -83.305
tors. eta vs tors. theta energy: -161.347
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: 5, replica: 6
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1794.580217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.580217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.580217 (E_RNA)
where:
Base-Base interactions energy: -1238.185
where: short stacking energy: -537.462
Base-Backbone interact. energy: -5.348
local terms energy: -551.046558
where:
bonds (distance) C4'-P energy: -95.146
bonds (distance) P-C4' energy: -95.538
flat angles C4'-P-C4' energy: -119.921
flat angles P-C4'-P energy: -77.098
tors. eta vs tors. theta energy: -163.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1368.282458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.282458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.282458 (E_RNA)
where:
Base-Base interactions energy: -895.079
where: short stacking energy: -394.283
Base-Backbone interact. energy: -1.377
local terms energy: -471.825850
where:
bonds (distance) C4'-P energy: -82.089
bonds (distance) P-C4' energy: -108.632
flat angles C4'-P-C4' energy: -102.930
flat angles P-C4'-P energy: -70.712
tors. eta vs tors. theta energy: -107.464
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: 1
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1135.222123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.222123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.222123 (E_RNA)
where:
Base-Base interactions energy: -732.505
where: short stacking energy: -334.830
Base-Backbone interact. energy: -1.267
local terms energy: -401.450305
where:
bonds (distance) C4'-P energy: -85.215
bonds (distance) P-C4' energy: -96.142
flat angles C4'-P-C4' energy: -103.385
flat angles P-C4'-P energy: -55.754
tors. eta vs tors. theta energy: -60.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -992.276835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.276835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.276835 (E_RNA)
where:
Base-Base interactions energy: -583.676
where: short stacking energy: -277.621
Base-Backbone interact. energy: -0.146
local terms energy: -408.455083
where:
bonds (distance) C4'-P energy: -106.944
bonds (distance) P-C4' energy: -99.157
flat angles C4'-P-C4' energy: -99.277
flat angles P-C4'-P energy: -60.177
tors. eta vs tors. theta energy: -42.901
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: 2
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -676.157927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.157927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.157927 (E_RNA)
where:
Base-Base interactions energy: -337.922
where: short stacking energy: -189.735
Base-Backbone interact. energy: -0.461
local terms energy: -337.775350
where:
bonds (distance) C4'-P energy: -89.481
bonds (distance) P-C4' energy: -110.017
flat angles C4'-P-C4' energy: -75.934
flat angles P-C4'-P energy: -53.087
tors. eta vs tors. theta energy: -9.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -557.337679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.337679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.337679 (E_RNA)
where:
Base-Base interactions energy: -258.263
where: short stacking energy: -167.402
Base-Backbone interact. energy: -0.079
local terms energy: -298.995709
where:
bonds (distance) C4'-P energy: -76.162
bonds (distance) P-C4' energy: -102.019
flat angles C4'-P-C4' energy: -71.766
flat angles P-C4'-P energy: -62.581
tors. eta vs tors. theta energy: 13.533
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: 212
Temperature: 0.900000
Total energy: -2020.875071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.875071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.875071 (E_RNA)
where:
Base-Base interactions energy: -1389.047
where: short stacking energy: -591.657
Base-Backbone interact. energy: -4.190
local terms energy: -627.638373
where:
bonds (distance) C4'-P energy: -103.100
bonds (distance) P-C4' energy: -127.243
flat angles C4'-P-C4' energy: -129.663
flat angles P-C4'-P energy: -95.678
tors. eta vs tors. theta energy: -171.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1991.859571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.859571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.859571 (E_RNA)
where:
Base-Base interactions energy: -1354.919
where: short stacking energy: -568.211
Base-Backbone interact. energy: -3.704
local terms energy: -633.236505
where:
bonds (distance) C4'-P energy: -110.825
bonds (distance) P-C4' energy: -119.415
flat angles C4'-P-C4' energy: -140.511
flat angles P-C4'-P energy: -90.351
tors. eta vs tors. theta energy: -172.136
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: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1890.377585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.377585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.377585 (E_RNA)
where:
Base-Base interactions energy: -1298.691
where: short stacking energy: -545.080
Base-Backbone interact. energy: -4.244
local terms energy: -587.442681
where:
bonds (distance) C4'-P energy: -101.641
bonds (distance) P-C4' energy: -120.525
flat angles C4'-P-C4' energy: -127.164
flat angles P-C4'-P energy: -87.021
tors. eta vs tors. theta energy: -151.092
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: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1872.000013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.000013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.000013 (E_RNA)
where:
Base-Base interactions energy: -1308.990
where: short stacking energy: -530.013
Base-Backbone interact. energy: -2.729
local terms energy: -560.281971
where:
bonds (distance) C4'-P energy: -101.839
bonds (distance) P-C4' energy: -117.196
flat angles C4'-P-C4' energy: -117.838
flat angles P-C4'-P energy: -66.918
tors. eta vs tors. theta energy: -156.491
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: 6
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1760.107810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.107810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.107810 (E_RNA)
where:
Base-Base interactions energy: -1189.718
where: short stacking energy: -522.722
Base-Backbone interact. energy: -3.449
local terms energy: -566.940372
where:
bonds (distance) C4'-P energy: -96.432
bonds (distance) P-C4' energy: -135.242
flat angles C4'-P-C4' energy: -111.314
flat angles P-C4'-P energy: -73.225
tors. eta vs tors. theta energy: -150.728
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: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1381.926319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.926319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.926319 (E_RNA)
where:
Base-Base interactions energy: -900.422
where: short stacking energy: -418.895
Base-Backbone interact. energy: -3.108
local terms energy: -478.395606
where:
bonds (distance) C4'-P energy: -106.324
bonds (distance) P-C4' energy: -91.029
flat angles C4'-P-C4' energy: -107.499
flat angles P-C4'-P energy: -78.913
tors. eta vs tors. theta energy: -94.631
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: 7, replica: 1
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -1148.921455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.921455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.921455 (E_RNA)
where:
Base-Base interactions energy: -721.262
where: short stacking energy: -304.476
Base-Backbone interact. energy: -2.542
local terms energy: -425.117322
where:
bonds (distance) C4'-P energy: -83.184
bonds (distance) P-C4' energy: -113.627
flat angles C4'-P-C4' energy: -105.239
flat angles P-C4'-P energy: -59.203
tors. eta vs tors. theta energy: -63.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -981.698482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.698482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.698482 (E_RNA)
where:
Base-Base interactions energy: -601.986
where: short stacking energy: -312.106
Base-Backbone interact. energy: 4.648
local terms energy: -384.359995
where:
bonds (distance) C4'-P energy: -93.704
bonds (distance) P-C4' energy: -89.865
flat angles C4'-P-C4' energy: -101.331
flat angles P-C4'-P energy: -50.087
tors. eta vs tors. theta energy: -49.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -566.298930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.298930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.298930 (E_RNA)
where:
Base-Base interactions energy: -236.462
where: short stacking energy: -146.508
Base-Backbone interact. energy: -1.021
local terms energy: -328.816459
where:
bonds (distance) C4'-P energy: -88.953
bonds (distance) P-C4' energy: -109.471
flat angles C4'-P-C4' energy: -81.263
flat angles P-C4'-P energy: -50.911
tors. eta vs tors. theta energy: 1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -660.505305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.505305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.505305 (E_RNA)
where:
Base-Base interactions energy: -323.518
where: short stacking energy: -192.342
Base-Backbone interact. energy: -2.042
local terms energy: -334.944529
where:
bonds (distance) C4'-P energy: -91.678
bonds (distance) P-C4' energy: -105.065
flat angles C4'-P-C4' energy: -80.823
flat angles P-C4'-P energy: -47.211
tors. eta vs tors. theta energy: -10.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -2025.371969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.371969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.371969 (E_RNA)
where:
Base-Base interactions energy: -1412.406
where: short stacking energy: -600.765
Base-Backbone interact. energy: -1.024
local terms energy: -611.942315
where:
bonds (distance) C4'-P energy: -121.094
bonds (distance) P-C4' energy: -103.429
flat angles C4'-P-C4' energy: -125.438
flat angles P-C4'-P energy: -93.430
tors. eta vs tors. theta energy: -168.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1990.417487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.417487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.417487 (E_RNA)
where:
Base-Base interactions energy: -1373.990
where: short stacking energy: -569.241
Base-Backbone interact. energy: -5.065
local terms energy: -611.363304
where:
bonds (distance) C4'-P energy: -106.943
bonds (distance) P-C4' energy: -116.135
flat angles C4'-P-C4' energy: -130.977
flat angles P-C4'-P energy: -85.566
tors. eta vs tors. theta energy: -171.742
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: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1901.689347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.689347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.689347 (E_RNA)
where:
Base-Base interactions energy: -1300.801
where: short stacking energy: -555.767
Base-Backbone interact. energy: -1.733
local terms energy: -599.155101
where:
bonds (distance) C4'-P energy: -125.438
bonds (distance) P-C4' energy: -101.105
flat angles C4'-P-C4' energy: -123.254
flat angles P-C4'-P energy: -87.961
tors. eta vs tors. theta energy: -161.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -1857.788899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.788899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.788899 (E_RNA)
where:
Base-Base interactions energy: -1301.960
where: short stacking energy: -509.168
Base-Backbone interact. energy: -1.755
local terms energy: -554.073391
where:
bonds (distance) C4'-P energy: -96.660
bonds (distance) P-C4' energy: -110.998
flat angles C4'-P-C4' energy: -113.806
flat angles P-C4'-P energy: -82.348
tors. eta vs tors. theta energy: -150.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1797.637431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.637431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.637431 (E_RNA)
where:
Base-Base interactions energy: -1220.788
where: short stacking energy: -505.711
Base-Backbone interact. energy: -3.209
local terms energy: -573.640313
where:
bonds (distance) C4'-P energy: -105.824
bonds (distance) P-C4' energy: -107.761
flat angles C4'-P-C4' energy: -120.242
flat angles P-C4'-P energy: -82.184
tors. eta vs tors. theta energy: -157.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1315.290598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.290598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.290598 (E_RNA)
where:
Base-Base interactions energy: -852.807
where: short stacking energy: -384.842
Base-Backbone interact. energy: 0.497
local terms energy: -462.980484
where:
bonds (distance) C4'-P energy: -97.804
bonds (distance) P-C4' energy: -78.901
flat angles C4'-P-C4' energy: -107.528
flat angles P-C4'-P energy: -84.946
tors. eta vs tors. theta energy: -93.802
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: 7, replica: 1
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1251.128142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.128142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.128142 (E_RNA)
where:
Base-Base interactions energy: -793.411
where: short stacking energy: -352.603
Base-Backbone interact. energy: 6.201
local terms energy: -463.918439
where:
bonds (distance) C4'-P energy: -103.212
bonds (distance) P-C4' energy: -102.994
flat angles C4'-P-C4' energy: -106.525
flat angles P-C4'-P energy: -80.691
tors. eta vs tors. theta energy: -70.496
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: 213
Temperature: 1.250000
Total energy: -897.877773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.877773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.877773 (E_RNA)
where:
Base-Base interactions energy: -517.760
where: short stacking energy: -240.420
Base-Backbone interact. energy: -0.984
local terms energy: -379.134031
where:
bonds (distance) C4'-P energy: -82.989
bonds (distance) P-C4' energy: -96.791
flat angles C4'-P-C4' energy: -94.658
flat angles P-C4'-P energy: -66.052
tors. eta vs tors. theta energy: -38.644
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: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -569.773485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.773485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.773485 (E_RNA)
where:
Base-Base interactions energy: -240.423
where: short stacking energy: -154.868
Base-Backbone interact. energy: 4.508
local terms energy: -333.858021
where:
bonds (distance) C4'-P energy: -93.751
bonds (distance) P-C4' energy: -102.632
flat angles C4'-P-C4' energy: -85.782
flat angles P-C4'-P energy: -48.103
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: 2
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -559.436700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.436700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.436700 (E_RNA)
where:
Base-Base interactions energy: -244.928
where: short stacking energy: -134.814
Base-Backbone interact. energy: -3.660
local terms energy: -310.849341
where:
bonds (distance) C4'-P energy: -76.917
bonds (distance) P-C4' energy: -102.971
flat angles C4'-P-C4' energy: -97.451
flat angles P-C4'-P energy: -44.267
tors. eta vs tors. theta energy: 10.756
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: 1, replica: 8
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -2004.499767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.499767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.499767 (E_RNA)
where:
Base-Base interactions energy: -1384.997
where: short stacking energy: -580.538
Base-Backbone interact. energy: -5.442
local terms energy: -614.061457
where:
bonds (distance) C4'-P energy: -118.732
bonds (distance) P-C4' energy: -111.511
flat angles C4'-P-C4' energy: -133.505
flat angles P-C4'-P energy: -81.929
tors. eta vs tors. theta energy: -168.385
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: 214
Temperature: 0.950000
Total energy: -1987.144390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.144390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.144390 (E_RNA)
where:
Base-Base interactions energy: -1355.351
where: short stacking energy: -557.434
Base-Backbone interact. energy: -3.371
local terms energy: -628.422704
where:
bonds (distance) C4'-P energy: -118.161
bonds (distance) P-C4' energy: -127.456
flat angles C4'-P-C4' energy: -120.916
flat angles P-C4'-P energy: -90.724
tors. eta vs tors. theta energy: -171.165
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: 214
Temperature: 1.000000
Total energy: -1887.530148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.530148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.530148 (E_RNA)
where:
Base-Base interactions energy: -1269.098
where: short stacking energy: -539.761
Base-Backbone interact. energy: 2.562
local terms energy: -620.994636
where:
bonds (distance) C4'-P energy: -121.819
bonds (distance) P-C4' energy: -123.599
flat angles C4'-P-C4' energy: -120.471
flat angles P-C4'-P energy: -95.166
tors. eta vs tors. theta energy: -159.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1842.947626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.947626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.947626 (E_RNA)
where:
Base-Base interactions energy: -1245.226
where: short stacking energy: -530.607
Base-Backbone interact. energy: -1.678
local terms energy: -596.043735
where:
bonds (distance) C4'-P energy: -103.093
bonds (distance) P-C4' energy: -125.347
flat angles C4'-P-C4' energy: -118.543
flat angles P-C4'-P energy: -89.172
tors. eta vs tors. theta energy: -159.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1786.482258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.482258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.482258 (E_RNA)
where:
Base-Base interactions energy: -1216.210
where: short stacking energy: -498.234
Base-Backbone interact. energy: -0.379
local terms energy: -569.893313
where:
bonds (distance) C4'-P energy: -96.708
bonds (distance) P-C4' energy: -112.656
flat angles C4'-P-C4' energy: -112.263
flat angles P-C4'-P energy: -81.909
tors. eta vs tors. theta energy: -166.356
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: 6, replica: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1358.654779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.654779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.654779 (E_RNA)
where:
Base-Base interactions energy: -887.948
where: short stacking energy: -398.863
Base-Backbone interact. energy: -2.679
local terms energy: -468.028050
where:
bonds (distance) C4'-P energy: -91.237
bonds (distance) P-C4' energy: -105.760
flat angles C4'-P-C4' energy: -109.289
flat angles P-C4'-P energy: -63.019
tors. eta vs tors. theta energy: -98.724
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: 1
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1244.292479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.292479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.292479 (E_RNA)
where:
Base-Base interactions energy: -796.138
where: short stacking energy: -354.075
Base-Backbone interact. energy: 1.651
local terms energy: -449.805711
where:
bonds (distance) C4'-P energy: -81.963
bonds (distance) P-C4' energy: -98.714
flat angles C4'-P-C4' energy: -105.445
flat angles P-C4'-P energy: -71.066
tors. eta vs tors. theta energy: -92.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -872.601886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.601886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.601886 (E_RNA)
where:
Base-Base interactions energy: -521.642
where: short stacking energy: -254.567
Base-Backbone interact. energy: -1.035
local terms energy: -349.924883
where:
bonds (distance) C4'-P energy: -85.754
bonds (distance) P-C4' energy: -88.550
flat angles C4'-P-C4' energy: -80.138
flat angles P-C4'-P energy: -71.602
tors. eta vs tors. theta energy: -23.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -590.747419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.747419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.747419 (E_RNA)
where:
Base-Base interactions energy: -262.240
where: short stacking energy: -178.026
Base-Backbone interact. energy: 0.786
local terms energy: -329.293719
where:
bonds (distance) C4'-P energy: -102.007
bonds (distance) P-C4' energy: -105.874
flat angles C4'-P-C4' energy: -78.675
flat angles P-C4'-P energy: -44.430
tors. eta vs tors. theta energy: 1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -497.467165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.467165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.467165 (E_RNA)
where:
Base-Base interactions energy: -183.997
where: short stacking energy: -140.964
Base-Backbone interact. energy: 9.497
local terms energy: -322.967336
where:
bonds (distance) C4'-P energy: -80.616
bonds (distance) P-C4' energy: -108.367
flat angles C4'-P-C4' energy: -92.598
flat angles P-C4'-P energy: -57.637
tors. eta vs tors. theta energy: 16.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -2005.275668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.275668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.275668 (E_RNA)
where:
Base-Base interactions energy: -1381.016
where: short stacking energy: -572.035
Base-Backbone interact. energy: -3.832
local terms energy: -620.427506
where:
bonds (distance) C4'-P energy: -105.473
bonds (distance) P-C4' energy: -122.036
flat angles C4'-P-C4' energy: -134.262
flat angles P-C4'-P energy: -93.111
tors. eta vs tors. theta energy: -165.545
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: 2, replica: 9
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1990.495960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.495960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.495960 (E_RNA)
where:
Base-Base interactions energy: -1395.917
where: short stacking energy: -586.533
Base-Backbone interact. energy: -1.628
local terms energy: -592.951074
where:
bonds (distance) C4'-P energy: -95.108
bonds (distance) P-C4' energy: -115.970
flat angles C4'-P-C4' energy: -128.078
flat angles P-C4'-P energy: -90.511
tors. eta vs tors. theta energy: -163.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -1906.953024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.953024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.953024 (E_RNA)
where:
Base-Base interactions energy: -1317.625
where: short stacking energy: -561.692
Base-Backbone interact. energy: -0.487
local terms energy: -588.841113
where:
bonds (distance) C4'-P energy: -102.378
bonds (distance) P-C4' energy: -104.526
flat angles C4'-P-C4' energy: -129.138
flat angles P-C4'-P energy: -84.280
tors. eta vs tors. theta energy: -168.520
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: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1861.653405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.653405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.653405 (E_RNA)
where:
Base-Base interactions energy: -1278.309
where: short stacking energy: -535.843
Base-Backbone interact. energy: -1.635
local terms energy: -581.709279
where:
bonds (distance) C4'-P energy: -117.004
bonds (distance) P-C4' energy: -105.453
flat angles C4'-P-C4' energy: -126.048
flat angles P-C4'-P energy: -85.612
tors. eta vs tors. theta energy: -147.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1776.681775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.681775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.681775 (E_RNA)
where:
Base-Base interactions energy: -1219.128
where: short stacking energy: -516.042
Base-Backbone interact. energy: -1.667
local terms energy: -555.887362
where:
bonds (distance) C4'-P energy: -94.694
bonds (distance) P-C4' energy: -89.736
flat angles C4'-P-C4' energy: -124.702
flat angles P-C4'-P energy: -80.012
tors. eta vs tors. theta energy: -166.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1357.267405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.267405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.267405 (E_RNA)
where:
Base-Base interactions energy: -871.859
where: short stacking energy: -418.569
Base-Backbone interact. energy: 2.190
local terms energy: -487.599015
where:
bonds (distance) C4'-P energy: -96.636
bonds (distance) P-C4' energy: -88.500
flat angles C4'-P-C4' energy: -111.531
flat angles P-C4'-P energy: -79.837
tors. eta vs tors. theta energy: -111.096
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: 215
Temperature: 1.200000
Total energy: -1200.640896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.640896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.640896 (E_RNA)
where:
Base-Base interactions energy: -785.379
where: short stacking energy: -357.569
Base-Backbone interact. energy: -2.088
local terms energy: -413.173771
where:
bonds (distance) C4'-P energy: -79.600
bonds (distance) P-C4' energy: -97.923
flat angles C4'-P-C4' energy: -97.921
flat angles P-C4'-P energy: -73.335
tors. eta vs tors. theta energy: -64.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -845.499759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.499759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.499759 (E_RNA)
where:
Base-Base interactions energy: -474.340
where: short stacking energy: -223.648
Base-Backbone interact. energy: 0.194
local terms energy: -371.354270
where:
bonds (distance) C4'-P energy: -108.069
bonds (distance) P-C4' energy: -112.613
flat angles C4'-P-C4' energy: -76.523
flat angles P-C4'-P energy: -66.007
tors. eta vs tors. theta energy: -8.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -586.441098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.441098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.441098 (E_RNA)
where:
Base-Base interactions energy: -258.291
where: short stacking energy: -176.083
Base-Backbone interact. energy: -1.589
local terms energy: -326.561523
where:
bonds (distance) C4'-P energy: -94.988
bonds (distance) P-C4' energy: -105.321
flat angles C4'-P-C4' energy: -86.677
flat angles P-C4'-P energy: -47.936
tors. eta vs tors. theta energy: 8.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -504.319715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.319715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.319715 (E_RNA)
where:
Base-Base interactions energy: -222.864
where: short stacking energy: -131.054
Base-Backbone interact. energy: 9.022
local terms energy: -290.478508
where:
bonds (distance) C4'-P energy: -88.876
bonds (distance) P-C4' energy: -111.498
flat angles C4'-P-C4' energy: -67.686
flat angles P-C4'-P energy: -41.910
tors. eta vs tors. theta energy: 19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -2031.705319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2031.705319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2031.705319 (E_RNA)
where:
Base-Base interactions energy: -1412.626
where: short stacking energy: -598.799
Base-Backbone interact. energy: -3.559
local terms energy: -615.519935
where:
bonds (distance) C4'-P energy: -108.734
bonds (distance) P-C4' energy: -116.074
flat angles C4'-P-C4' energy: -129.401
flat angles P-C4'-P energy: -82.562
tors. eta vs tors. theta energy: -178.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1961.129124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.129124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.129124 (E_RNA)
where:
Base-Base interactions energy: -1354.671
where: short stacking energy: -557.263
Base-Backbone interact. energy: -4.410
local terms energy: -602.048899
where:
bonds (distance) C4'-P energy: -104.000
bonds (distance) P-C4' energy: -122.837
flat angles C4'-P-C4' energy: -125.116
flat angles P-C4'-P energy: -86.095
tors. eta vs tors. theta energy: -164.001
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: 5
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1911.104673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.104673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.104673 (E_RNA)
where:
Base-Base interactions energy: -1314.734
where: short stacking energy: -559.830
Base-Backbone interact. energy: -0.010
local terms energy: -596.360236
where:
bonds (distance) C4'-P energy: -107.372
bonds (distance) P-C4' energy: -103.988
flat angles C4'-P-C4' energy: -125.862
flat angles P-C4'-P energy: -93.281
tors. eta vs tors. theta energy: -165.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1863.500753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.500753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.500753 (E_RNA)
where:
Base-Base interactions energy: -1308.015
where: short stacking energy: -528.519
Base-Backbone interact. energy: -1.250
local terms energy: -554.236219
where:
bonds (distance) C4'-P energy: -104.839
bonds (distance) P-C4' energy: -111.561
flat angles C4'-P-C4' energy: -117.200
flat angles P-C4'-P energy: -71.303
tors. eta vs tors. theta energy: -149.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1801.680176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.680176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.680176 (E_RNA)
where:
Base-Base interactions energy: -1239.591
where: short stacking energy: -537.513
Base-Backbone interact. energy: -2.871
local terms energy: -559.217860
where:
bonds (distance) C4'-P energy: -96.374
bonds (distance) P-C4' energy: -103.628
flat angles C4'-P-C4' energy: -133.406
flat angles P-C4'-P energy: -72.763
tors. eta vs tors. theta energy: -153.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1373.614484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.614484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.614484 (E_RNA)
where:
Base-Base interactions energy: -906.537
where: short stacking energy: -415.805
Base-Backbone interact. energy: -2.049
local terms energy: -465.028803
where:
bonds (distance) C4'-P energy: -85.789
bonds (distance) P-C4' energy: -113.297
flat angles C4'-P-C4' energy: -107.863
flat angles P-C4'-P energy: -56.485
tors. eta vs tors. theta energy: -101.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1217.816686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.816686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.816686 (E_RNA)
where:
Base-Base interactions energy: -784.053
where: short stacking energy: -324.085
Base-Backbone interact. energy: 0.941
local terms energy: -434.704716
where:
bonds (distance) C4'-P energy: -102.609
bonds (distance) P-C4' energy: -108.173
flat angles C4'-P-C4' energy: -77.946
flat angles P-C4'-P energy: -66.307
tors. eta vs tors. theta energy: -79.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -893.386927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.386927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.386927 (E_RNA)
where:
Base-Base interactions energy: -511.643
where: short stacking energy: -258.091
Base-Backbone interact. energy: -0.562
local terms energy: -381.182300
where:
bonds (distance) C4'-P energy: -92.035
bonds (distance) P-C4' energy: -92.128
flat angles C4'-P-C4' energy: -93.818
flat angles P-C4'-P energy: -62.294
tors. eta vs tors. theta energy: -40.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -581.265244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.265244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.265244 (E_RNA)
where:
Base-Base interactions energy: -280.696
where: short stacking energy: -159.916
Base-Backbone interact. energy: -1.616
local terms energy: -298.953620
where:
bonds (distance) C4'-P energy: -94.235
bonds (distance) P-C4' energy: -100.369
flat angles C4'-P-C4' energy: -84.809
flat angles P-C4'-P energy: -33.235
tors. eta vs tors. theta energy: 13.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -462.445959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.445959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.445959 (E_RNA)
where:
Base-Base interactions energy: -164.285
where: short stacking energy: -131.693
Base-Backbone interact. energy: -1.394
local terms energy: -296.767178
where:
bonds (distance) C4'-P energy: -74.496
bonds (distance) P-C4' energy: -100.515
flat angles C4'-P-C4' energy: -76.305
flat angles P-C4'-P energy: -55.576
tors. eta vs tors. theta energy: 10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -2042.427224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.427224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.427224 (E_RNA)
where:
Base-Base interactions energy: -1395.340
where: short stacking energy: -586.888
Base-Backbone interact. energy: -1.268
local terms energy: -645.819736
where:
bonds (distance) C4'-P energy: -117.139
bonds (distance) P-C4' energy: -128.121
flat angles C4'-P-C4' energy: -133.012
flat angles P-C4'-P energy: -90.689
tors. eta vs tors. theta energy: -176.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -1958.667788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.667788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.667788 (E_RNA)
where:
Base-Base interactions energy: -1353.387
where: short stacking energy: -583.067
Base-Backbone interact. energy: -1.467
local terms energy: -603.814330
where:
bonds (distance) C4'-P energy: -114.897
bonds (distance) P-C4' energy: -99.636
flat angles C4'-P-C4' energy: -136.067
flat angles P-C4'-P energy: -85.422
tors. eta vs tors. theta energy: -167.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1901.555585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.555585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.555585 (E_RNA)
where:
Base-Base interactions energy: -1335.864
where: short stacking energy: -566.210
Base-Backbone interact. energy: 1.423
local terms energy: -567.114335
where:
bonds (distance) C4'-P energy: -91.802
bonds (distance) P-C4' energy: -114.978
flat angles C4'-P-C4' energy: -116.431
flat angles P-C4'-P energy: -81.648
tors. eta vs tors. theta energy: -162.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1852.077267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.077267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.077267 (E_RNA)
where:
Base-Base interactions energy: -1284.443
where: short stacking energy: -521.056
Base-Backbone interact. energy: -0.770
local terms energy: -566.864301
where:
bonds (distance) C4'-P energy: -108.483
bonds (distance) P-C4' energy: -109.808
flat angles C4'-P-C4' energy: -127.520
flat angles P-C4'-P energy: -74.266
tors. eta vs tors. theta energy: -146.787
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: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1794.639254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.639254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.639254 (E_RNA)
where:
Base-Base interactions energy: -1247.285
where: short stacking energy: -498.869
Base-Backbone interact. energy: -3.600
local terms energy: -543.754105
where:
bonds (distance) C4'-P energy: -97.286
bonds (distance) P-C4' energy: -112.383
flat angles C4'-P-C4' energy: -106.729
flat angles P-C4'-P energy: -82.417
tors. eta vs tors. theta energy: -144.940
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: 217
Temperature: 1.150000
Total energy: -1416.287012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.287012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.287012 (E_RNA)
where:
Base-Base interactions energy: -951.753
where: short stacking energy: -388.720
Base-Backbone interact. energy: -2.948
local terms energy: -461.586036
where:
bonds (distance) C4'-P energy: -93.540
bonds (distance) P-C4' energy: -98.362
flat angles C4'-P-C4' energy: -107.799
flat angles P-C4'-P energy: -70.460
tors. eta vs tors. theta energy: -91.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1246.974923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.974923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.974923 (E_RNA)
where:
Base-Base interactions energy: -792.766
where: short stacking energy: -350.406
Base-Backbone interact. energy: -1.782
local terms energy: -452.427176
where:
bonds (distance) C4'-P energy: -97.743
bonds (distance) P-C4' energy: -96.211
flat angles C4'-P-C4' energy: -109.427
flat angles P-C4'-P energy: -74.521
tors. eta vs tors. theta energy: -74.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -875.642725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.642725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.642725 (E_RNA)
where:
Base-Base interactions energy: -485.064
where: short stacking energy: -273.205
Base-Backbone interact. energy: -1.687
local terms energy: -388.892088
where:
bonds (distance) C4'-P energy: -97.589
bonds (distance) P-C4' energy: -105.263
flat angles C4'-P-C4' energy: -96.248
flat angles P-C4'-P energy: -52.396
tors. eta vs tors. theta energy: -37.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -622.015744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.015744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.015744 (E_RNA)
where:
Base-Base interactions energy: -289.218
where: short stacking energy: -177.173
Base-Backbone interact. energy: 1.346
local terms energy: -334.144207
where:
bonds (distance) C4'-P energy: -95.243
bonds (distance) P-C4' energy: -104.718
flat angles C4'-P-C4' energy: -90.713
flat angles P-C4'-P energy: -51.762
tors. eta vs tors. theta energy: 8.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -436.031606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.031606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.031606 (E_RNA)
where:
Base-Base interactions energy: -157.880
where: short stacking energy: -107.311
Base-Backbone interact. energy: -0.567
local terms energy: -277.584909
where:
bonds (distance) C4'-P energy: -73.667
bonds (distance) P-C4' energy: -107.225
flat angles C4'-P-C4' energy: -74.796
flat angles P-C4'-P energy: -43.436
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: 1, replica: 5
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -2025.571589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.571589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.571589 (E_RNA)
where:
Base-Base interactions energy: -1393.668
where: short stacking energy: -584.775
Base-Backbone interact. energy: -3.165
local terms energy: -628.738391
where:
bonds (distance) C4'-P energy: -112.182
bonds (distance) P-C4' energy: -118.864
flat angles C4'-P-C4' energy: -132.839
flat angles P-C4'-P energy: -92.443
tors. eta vs tors. theta energy: -172.410
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: 9
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1961.750690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.750690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.750690 (E_RNA)
where:
Base-Base interactions energy: -1355.238
where: short stacking energy: -591.768
Base-Backbone interact. energy: -2.965
local terms energy: -603.547775
where:
bonds (distance) C4'-P energy: -113.872
bonds (distance) P-C4' energy: -104.856
flat angles C4'-P-C4' energy: -124.164
flat angles P-C4'-P energy: -86.125
tors. eta vs tors. theta energy: -174.530
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: 8
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1925.624953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.624953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.624953 (E_RNA)
where:
Base-Base interactions energy: -1343.921
where: short stacking energy: -564.959
Base-Backbone interact. energy: -0.685
local terms energy: -581.018593
where:
bonds (distance) C4'-P energy: -101.101
bonds (distance) P-C4' energy: -109.479
flat angles C4'-P-C4' energy: -134.664
flat angles P-C4'-P energy: -65.389
tors. eta vs tors. theta energy: -170.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1868.071873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.071873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.071873 (E_RNA)
where:
Base-Base interactions energy: -1301.102
where: short stacking energy: -554.629
Base-Backbone interact. energy: 0.140
local terms energy: -567.110173
where:
bonds (distance) C4'-P energy: -94.532
bonds (distance) P-C4' energy: -105.225
flat angles C4'-P-C4' energy: -126.832
flat angles P-C4'-P energy: -76.905
tors. eta vs tors. theta energy: -163.615
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: 6
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1790.497716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.497716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.497716 (E_RNA)
where:
Base-Base interactions energy: -1240.278
where: short stacking energy: -533.916
Base-Backbone interact. energy: -0.940
local terms energy: -549.279554
where:
bonds (distance) C4'-P energy: -97.159
bonds (distance) P-C4' energy: -116.927
flat angles C4'-P-C4' energy: -121.979
flat angles P-C4'-P energy: -61.858
tors. eta vs tors. theta energy: -151.356
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: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1418.213008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.213008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.213008 (E_RNA)
where:
Base-Base interactions energy: -957.414
where: short stacking energy: -399.606
Base-Backbone interact. energy: -4.716
local terms energy: -456.082508
where:
bonds (distance) C4'-P energy: -90.329
bonds (distance) P-C4' energy: -102.922
flat angles C4'-P-C4' energy: -102.095
flat angles P-C4'-P energy: -64.738
tors. eta vs tors. theta energy: -95.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1239.724651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.724651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.724651 (E_RNA)
where:
Base-Base interactions energy: -805.057
where: short stacking energy: -349.757
Base-Backbone interact. energy: -2.015
local terms energy: -432.653194
where:
bonds (distance) C4'-P energy: -96.581
bonds (distance) P-C4' energy: -97.055
flat angles C4'-P-C4' energy: -112.154
flat angles P-C4'-P energy: -70.674
tors. eta vs tors. theta energy: -56.189
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: 218
Temperature: 1.250000
Total energy: -881.676807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.676807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.676807 (E_RNA)
where:
Base-Base interactions energy: -485.859
where: short stacking energy: -250.855
Base-Backbone interact. energy: -0.505
local terms energy: -395.313223
where:
bonds (distance) C4'-P energy: -116.355
bonds (distance) P-C4' energy: -93.641
flat angles C4'-P-C4' energy: -89.945
flat angles P-C4'-P energy: -75.163
tors. eta vs tors. theta energy: -20.209
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: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -626.292154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.292154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.292154 (E_RNA)
where:
Base-Base interactions energy: -273.990
where: short stacking energy: -195.279
Base-Backbone interact. energy: -1.282
local terms energy: -351.020173
where:
bonds (distance) C4'-P energy: -86.258
bonds (distance) P-C4' energy: -93.809
flat angles C4'-P-C4' energy: -90.948
flat angles P-C4'-P energy: -63.345
tors. eta vs tors. theta energy: -16.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -455.230945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.230945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.230945 (E_RNA)
where:
Base-Base interactions energy: -182.443
where: short stacking energy: -129.617
Base-Backbone interact. energy: -2.058
local terms energy: -270.730304
where:
bonds (distance) C4'-P energy: -81.649
bonds (distance) P-C4' energy: -99.620
flat angles C4'-P-C4' energy: -64.088
flat angles P-C4'-P energy: -46.962
tors. eta vs tors. theta energy: 21.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -2001.289833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.289833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.289833 (E_RNA)
where:
Base-Base interactions energy: -1380.932
where: short stacking energy: -604.291
Base-Backbone interact. energy: -1.298
local terms energy: -619.059707
where:
bonds (distance) C4'-P energy: -102.510
bonds (distance) P-C4' energy: -109.037
flat angles C4'-P-C4' energy: -143.209
flat angles P-C4'-P energy: -90.463
tors. eta vs tors. theta energy: -173.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1974.576316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.576316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.576316 (E_RNA)
where:
Base-Base interactions energy: -1366.113
where: short stacking energy: -574.915
Base-Backbone interact. energy: 2.883
local terms energy: -611.346196
where:
bonds (distance) C4'-P energy: -108.529
bonds (distance) P-C4' energy: -108.100
flat angles C4'-P-C4' energy: -124.273
flat angles P-C4'-P energy: -94.463
tors. eta vs tors. theta energy: -175.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1899.972659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.972659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.972659 (E_RNA)
where:
Base-Base interactions energy: -1304.320
where: short stacking energy: -574.607
Base-Backbone interact. energy: -1.532
local terms energy: -594.120779
where:
bonds (distance) C4'-P energy: -99.294
bonds (distance) P-C4' energy: -115.253
flat angles C4'-P-C4' energy: -133.206
flat angles P-C4'-P energy: -77.333
tors. eta vs tors. theta energy: -169.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1846.566298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.566298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.566298 (E_RNA)
where:
Base-Base interactions energy: -1276.146
where: short stacking energy: -543.060
Base-Backbone interact. energy: -0.983
local terms energy: -569.437566
where:
bonds (distance) C4'-P energy: -112.880
bonds (distance) P-C4' energy: -97.485
flat angles C4'-P-C4' energy: -128.189
flat angles P-C4'-P energy: -67.709
tors. eta vs tors. theta energy: -163.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1781.679988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.679988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.679988 (E_RNA)
where:
Base-Base interactions energy: -1242.154
where: short stacking energy: -506.239
Base-Backbone interact. energy: -0.672
local terms energy: -538.853569
where:
bonds (distance) C4'-P energy: -89.967
bonds (distance) P-C4' energy: -105.404
flat angles C4'-P-C4' energy: -125.931
flat angles P-C4'-P energy: -69.643
tors. eta vs tors. theta energy: -147.909
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: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1415.656536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.656536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.656536 (E_RNA)
where:
Base-Base interactions energy: -894.700
where: short stacking energy: -399.796
Base-Backbone interact. energy: -2.103
local terms energy: -518.853275
where:
bonds (distance) C4'-P energy: -112.573
bonds (distance) P-C4' energy: -111.907
flat angles C4'-P-C4' energy: -118.800
flat angles P-C4'-P energy: -78.215
tors. eta vs tors. theta energy: -97.358
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: 1
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1215.131999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.131999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.131999 (E_RNA)
where:
Base-Base interactions energy: -769.360
where: short stacking energy: -354.467
Base-Backbone interact. energy: -0.261
local terms energy: -445.511097
where:
bonds (distance) C4'-P energy: -84.709
bonds (distance) P-C4' energy: -113.299
flat angles C4'-P-C4' energy: -107.463
flat angles P-C4'-P energy: -58.670
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: 8, replica: 4
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -865.237572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.237572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.237572 (E_RNA)
where:
Base-Base interactions energy: -467.278
where: short stacking energy: -239.670
Base-Backbone interact. energy: -1.763
local terms energy: -396.196074
where:
bonds (distance) C4'-P energy: -103.074
bonds (distance) P-C4' energy: -88.149
flat angles C4'-P-C4' energy: -112.245
flat angles P-C4'-P energy: -65.263
tors. eta vs tors. theta energy: -27.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -653.692310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.692310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.692310 (E_RNA)
where:
Base-Base interactions energy: -339.634
where: short stacking energy: -183.124
Base-Backbone interact. energy: -0.059
local terms energy: -313.999832
where:
bonds (distance) C4'-P energy: -96.659
bonds (distance) P-C4' energy: -98.573
flat angles C4'-P-C4' energy: -73.291
flat angles P-C4'-P energy: -48.047
tors. eta vs tors. theta energy: 2.569
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: 10, replica: 2
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -435.733983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.733983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.733983 (E_RNA)
where:
Base-Base interactions energy: -130.977
where: short stacking energy: -114.382
Base-Backbone interact. energy: -0.364
local terms energy: -304.393220
where:
bonds (distance) C4'-P energy: -91.091
bonds (distance) P-C4' energy: -106.932
flat angles C4'-P-C4' energy: -86.524
flat angles P-C4'-P energy: -37.497
tors. eta vs tors. theta energy: 17.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -2019.818741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.818741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.818741 (E_RNA)
where:
Base-Base interactions energy: -1394.428
where: short stacking energy: -582.836
Base-Backbone interact. energy: -2.167
local terms energy: -623.223976
where:
bonds (distance) C4'-P energy: -120.285
bonds (distance) P-C4' energy: -119.991
flat angles C4'-P-C4' energy: -135.309
flat angles P-C4'-P energy: -73.740
tors. eta vs tors. theta energy: -173.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1984.539304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.539304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.539304 (E_RNA)
where:
Base-Base interactions energy: -1368.823
where: short stacking energy: -579.476
Base-Backbone interact. energy: 2.428
local terms energy: -618.144570
where:
bonds (distance) C4'-P energy: -109.274
bonds (distance) P-C4' energy: -119.906
flat angles C4'-P-C4' energy: -135.179
flat angles P-C4'-P energy: -91.295
tors. eta vs tors. theta energy: -162.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1944.241380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.241380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.241380 (E_RNA)
where:
Base-Base interactions energy: -1364.565
where: short stacking energy: -547.575
Base-Backbone interact. energy: 1.064
local terms energy: -580.739783
where:
bonds (distance) C4'-P energy: -102.022
bonds (distance) P-C4' energy: -114.665
flat angles C4'-P-C4' energy: -125.845
flat angles P-C4'-P energy: -80.687
tors. eta vs tors. theta energy: -157.520
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: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1859.685113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.685113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.685113 (E_RNA)
where:
Base-Base interactions energy: -1287.432
where: short stacking energy: -529.773
Base-Backbone interact. energy: -0.939
local terms energy: -571.314173
where:
bonds (distance) C4'-P energy: -104.544
bonds (distance) P-C4' energy: -112.121
flat angles C4'-P-C4' energy: -112.875
flat angles P-C4'-P energy: -82.234
tors. eta vs tors. theta energy: -159.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1696.003143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.003143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.003143 (E_RNA)
where:
Base-Base interactions energy: -1189.173
where: short stacking energy: -499.335
Base-Backbone interact. energy: 2.516
local terms energy: -509.346878
where:
bonds (distance) C4'-P energy: -91.084
bonds (distance) P-C4' energy: -95.014
flat angles C4'-P-C4' energy: -103.281
flat angles P-C4'-P energy: -79.049
tors. eta vs tors. theta energy: -140.919
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: 220
Temperature: 1.150000
Total energy: -1410.030383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.030383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.030383 (E_RNA)
where:
Base-Base interactions energy: -940.054
where: short stacking energy: -416.056
Base-Backbone interact. energy: -3.101
local terms energy: -466.875002
where:
bonds (distance) C4'-P energy: -93.406
bonds (distance) P-C4' energy: -101.401
flat angles C4'-P-C4' energy: -102.473
flat angles P-C4'-P energy: -71.957
tors. eta vs tors. theta energy: -97.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1213.802901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.802901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.802901 (E_RNA)
where:
Base-Base interactions energy: -795.375
where: short stacking energy: -348.937
Base-Backbone interact. energy: 1.349
local terms energy: -419.777570
where:
bonds (distance) C4'-P energy: -97.823
bonds (distance) P-C4' energy: -118.964
flat angles C4'-P-C4' energy: -84.351
flat angles P-C4'-P energy: -61.242
tors. eta vs tors. theta energy: -57.397
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: 220
Temperature: 1.250000
Total energy: -885.380648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.380648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.380648 (E_RNA)
where:
Base-Base interactions energy: -497.986
where: short stacking energy: -264.653
Base-Backbone interact. energy: -1.643
local terms energy: -385.751430
where:
bonds (distance) C4'-P energy: -106.269
bonds (distance) P-C4' energy: -80.257
flat angles C4'-P-C4' energy: -102.428
flat angles P-C4'-P energy: -57.699
tors. eta vs tors. theta energy: -39.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -732.399743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.399743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.399743 (E_RNA)
where:
Base-Base interactions energy: -404.553
where: short stacking energy: -231.285
Base-Backbone interact. energy: 0.339
local terms energy: -328.186054
where:
bonds (distance) C4'-P energy: -80.664
bonds (distance) P-C4' energy: -96.936
flat angles C4'-P-C4' energy: -100.055
flat angles P-C4'-P energy: -37.698
tors. eta vs tors. theta energy: -12.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -443.522230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.522230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.522230 (E_RNA)
where:
Base-Base interactions energy: -118.876
where: short stacking energy: -108.658
Base-Backbone interact. energy: -1.144
local terms energy: -323.502088
where:
bonds (distance) C4'-P energy: -84.429
bonds (distance) P-C4' energy: -111.411
flat angles C4'-P-C4' energy: -93.215
flat angles P-C4'-P energy: -60.039
tors. eta vs tors. theta energy: 25.592
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: 8
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -2001.145616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.145616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.145616 (E_RNA)
where:
Base-Base interactions energy: -1376.147
where: short stacking energy: -591.021
Base-Backbone interact. energy: -1.405
local terms energy: -623.594443
where:
bonds (distance) C4'-P energy: -105.755
bonds (distance) P-C4' energy: -124.667
flat angles C4'-P-C4' energy: -136.718
flat angles P-C4'-P energy: -85.965
tors. eta vs tors. theta energy: -170.490
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: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1986.394398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.394398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.394398 (E_RNA)
where:
Base-Base interactions energy: -1400.144
where: short stacking energy: -564.902
Base-Backbone interact. energy: 2.321
local terms energy: -588.571906
where:
bonds (distance) C4'-P energy: -117.534
bonds (distance) P-C4' energy: -106.087
flat angles C4'-P-C4' energy: -117.888
flat angles P-C4'-P energy: -83.925
tors. eta vs tors. theta energy: -163.138
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: 5
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1920.481608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.481608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.481608 (E_RNA)
where:
Base-Base interactions energy: -1330.817
where: short stacking energy: -552.533
Base-Backbone interact. energy: -0.480
local terms energy: -589.184649
where:
bonds (distance) C4'-P energy: -109.412
bonds (distance) P-C4' energy: -107.682
flat angles C4'-P-C4' energy: -133.519
flat angles P-C4'-P energy: -86.802
tors. eta vs tors. theta energy: -151.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1872.495263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.495263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.495263 (E_RNA)
where:
Base-Base interactions energy: -1306.440
where: short stacking energy: -520.699
Base-Backbone interact. energy: -1.765
local terms energy: -564.290282
where:
bonds (distance) C4'-P energy: -91.197
bonds (distance) P-C4' energy: -123.672
flat angles C4'-P-C4' energy: -123.404
flat angles P-C4'-P energy: -81.938
tors. eta vs tors. theta energy: -144.080
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: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1695.695970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.695970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.695970 (E_RNA)
where:
Base-Base interactions energy: -1139.768
where: short stacking energy: -494.199
Base-Backbone interact. energy: -5.864
local terms energy: -550.064572
where:
bonds (distance) C4'-P energy: -112.703
bonds (distance) P-C4' energy: -103.819
flat angles C4'-P-C4' energy: -112.684
flat angles P-C4'-P energy: -73.682
tors. eta vs tors. theta energy: -147.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1401.784416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.784416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.784416 (E_RNA)
where:
Base-Base interactions energy: -918.365
where: short stacking energy: -406.392
Base-Backbone interact. energy: -0.027
local terms energy: -483.392545
where:
bonds (distance) C4'-P energy: -101.266
bonds (distance) P-C4' energy: -100.107
flat angles C4'-P-C4' energy: -111.985
flat angles P-C4'-P energy: -76.091
tors. eta vs tors. theta energy: -93.945
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: 1
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1241.876819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.876819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.876819 (E_RNA)
where:
Base-Base interactions energy: -822.064
where: short stacking energy: -367.213
Base-Backbone interact. energy: 2.835
local terms energy: -422.648690
where:
bonds (distance) C4'-P energy: -99.296
bonds (distance) P-C4' energy: -109.537
flat angles C4'-P-C4' energy: -98.387
flat angles P-C4'-P energy: -41.931
tors. eta vs tors. theta energy: -73.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -910.520284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.520284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.520284 (E_RNA)
where:
Base-Base interactions energy: -526.585
where: short stacking energy: -276.201
Base-Backbone interact. energy: 0.665
local terms energy: -384.599992
where:
bonds (distance) C4'-P energy: -91.893
bonds (distance) P-C4' energy: -101.205
flat angles C4'-P-C4' energy: -90.616
flat angles P-C4'-P energy: -65.965
tors. eta vs tors. theta energy: -34.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -713.892544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.892544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.892544 (E_RNA)
where:
Base-Base interactions energy: -363.754
where: short stacking energy: -194.179
Base-Backbone interact. energy: 2.545
local terms energy: -352.682899
where:
bonds (distance) C4'-P energy: -100.897
bonds (distance) P-C4' energy: -100.698
flat angles C4'-P-C4' energy: -89.730
flat angles P-C4'-P energy: -47.571
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -443.007228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.007228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.007228 (E_RNA)
where:
Base-Base interactions energy: -154.735
where: short stacking energy: -140.735
Base-Backbone interact. energy: -2.273
local terms energy: -285.999169
where:
bonds (distance) C4'-P energy: -85.317
bonds (distance) P-C4' energy: -93.681
flat angles C4'-P-C4' energy: -73.720
flat angles P-C4'-P energy: -49.893
tors. eta vs tors. theta energy: 16.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1977.563211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.563211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.563211 (E_RNA)
where:
Base-Base interactions energy: -1357.686
where: short stacking energy: -559.827
Base-Backbone interact. energy: 0.329
local terms energy: -620.205811
where:
bonds (distance) C4'-P energy: -109.099
bonds (distance) P-C4' energy: -129.491
flat angles C4'-P-C4' energy: -127.603
flat angles P-C4'-P energy: -95.463
tors. eta vs tors. theta energy: -158.550
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: 222
Temperature: 0.950000
Total energy: -1989.155691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.155691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.155691 (E_RNA)
where:
Base-Base interactions energy: -1376.121
where: short stacking energy: -556.359
Base-Backbone interact. energy: -1.441
local terms energy: -611.593971
where:
bonds (distance) C4'-P energy: -105.215
bonds (distance) P-C4' energy: -116.569
flat angles C4'-P-C4' energy: -136.956
flat angles P-C4'-P energy: -85.948
tors. eta vs tors. theta energy: -166.906
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: 222
Temperature: 1.000000
Total energy: -1921.599361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.599361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.599361 (E_RNA)
where:
Base-Base interactions energy: -1323.730
where: short stacking energy: -568.104
Base-Backbone interact. energy: 0.786
local terms energy: -598.654765
where:
bonds (distance) C4'-P energy: -111.952
bonds (distance) P-C4' energy: -112.715
flat angles C4'-P-C4' energy: -124.212
flat angles P-C4'-P energy: -81.417
tors. eta vs tors. theta energy: -168.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1812.757843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.757843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.757843 (E_RNA)
where:
Base-Base interactions energy: -1222.753
where: short stacking energy: -521.462
Base-Backbone interact. energy: -2.859
local terms energy: -587.146168
where:
bonds (distance) C4'-P energy: -117.768
bonds (distance) P-C4' energy: -111.903
flat angles C4'-P-C4' energy: -131.133
flat angles P-C4'-P energy: -73.220
tors. eta vs tors. theta energy: -153.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1710.319989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.319989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.319989 (E_RNA)
where:
Base-Base interactions energy: -1177.069
where: short stacking energy: -498.794
Base-Backbone interact. energy: -2.667
local terms energy: -530.583565
where:
bonds (distance) C4'-P energy: -106.757
bonds (distance) P-C4' energy: -92.310
flat angles C4'-P-C4' energy: -125.774
flat angles P-C4'-P energy: -61.978
tors. eta vs tors. theta energy: -143.764
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: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1436.278838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.278838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.278838 (E_RNA)
where:
Base-Base interactions energy: -960.293
where: short stacking energy: -403.167
Base-Backbone interact. energy: -1.066
local terms energy: -474.919463
where:
bonds (distance) C4'-P energy: -94.980
bonds (distance) P-C4' energy: -84.669
flat angles C4'-P-C4' energy: -105.543
flat angles P-C4'-P energy: -76.458
tors. eta vs tors. theta energy: -113.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1219.691908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.691908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.691908 (E_RNA)
where:
Base-Base interactions energy: -772.566
where: short stacking energy: -355.016
Base-Backbone interact. energy: -2.551
local terms energy: -444.574195
where:
bonds (distance) C4'-P energy: -104.580
bonds (distance) P-C4' energy: -111.118
flat angles C4'-P-C4' energy: -101.155
flat angles P-C4'-P energy: -62.425
tors. eta vs tors. theta energy: -65.296
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: 8, replica: 4
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -970.151634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.151634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.151634 (E_RNA)
where:
Base-Base interactions energy: -560.329
where: short stacking energy: -274.570
Base-Backbone interact. energy: 13.976
local terms energy: -423.797946
where:
bonds (distance) C4'-P energy: -93.511
bonds (distance) P-C4' energy: -90.701
flat angles C4'-P-C4' energy: -106.993
flat angles P-C4'-P energy: -82.746
tors. eta vs tors. theta energy: -49.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -723.606985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.606985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.606985 (E_RNA)
where:
Base-Base interactions energy: -404.537
where: short stacking energy: -231.427
Base-Backbone interact. energy: -3.355
local terms energy: -315.715915
where:
bonds (distance) C4'-P energy: -99.120
bonds (distance) P-C4' energy: -83.076
flat angles C4'-P-C4' energy: -73.434
flat angles P-C4'-P energy: -47.688
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -449.024995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.024995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.024995 (E_RNA)
where:
Base-Base interactions energy: -162.410
where: short stacking energy: -125.610
Base-Backbone interact. energy: -0.133
local terms energy: -286.482609
where:
bonds (distance) C4'-P energy: -98.684
bonds (distance) P-C4' energy: -89.838
flat angles C4'-P-C4' energy: -73.816
flat angles P-C4'-P energy: -35.562
tors. eta vs tors. theta energy: 11.418
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: 8
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -2006.347866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.347866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.347866 (E_RNA)
where:
Base-Base interactions energy: -1385.901
where: short stacking energy: -558.914
Base-Backbone interact. energy: -0.531
local terms energy: -619.916077
where:
bonds (distance) C4'-P energy: -122.675
bonds (distance) P-C4' energy: -118.584
flat angles C4'-P-C4' energy: -126.474
flat angles P-C4'-P energy: -89.601
tors. eta vs tors. theta energy: -162.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -2003.224732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.224732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.224732 (E_RNA)
where:
Base-Base interactions energy: -1393.195
where: short stacking energy: -608.187
Base-Backbone interact. energy: -1.520
local terms energy: -608.509331
where:
bonds (distance) C4'-P energy: -115.122
bonds (distance) P-C4' energy: -107.495
flat angles C4'-P-C4' energy: -139.506
flat angles P-C4'-P energy: -74.556
tors. eta vs tors. theta energy: -171.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -1904.514240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.514240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.514240 (E_RNA)
where:
Base-Base interactions energy: -1291.773
where: short stacking energy: -545.168
Base-Backbone interact. energy: -0.562
local terms energy: -612.179712
where:
bonds (distance) C4'-P energy: -99.394
bonds (distance) P-C4' energy: -131.627
flat angles C4'-P-C4' energy: -126.081
flat angles P-C4'-P energy: -88.329
tors. eta vs tors. theta energy: -166.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1788.570577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.570577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.570577 (E_RNA)
where:
Base-Base interactions energy: -1238.353
where: short stacking energy: -535.061
Base-Backbone interact. energy: -4.944
local terms energy: -545.273367
where:
bonds (distance) C4'-P energy: -99.950
bonds (distance) P-C4' energy: -115.551
flat angles C4'-P-C4' energy: -113.155
flat angles P-C4'-P energy: -71.083
tors. eta vs tors. theta energy: -145.535
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: 5
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1765.335919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.335919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.335919 (E_RNA)
where:
Base-Base interactions energy: -1215.227
where: short stacking energy: -518.602
Base-Backbone interact. energy: -1.146
local terms energy: -548.963193
where:
bonds (distance) C4'-P energy: -92.810
bonds (distance) P-C4' energy: -113.262
flat angles C4'-P-C4' energy: -121.831
flat angles P-C4'-P energy: -78.914
tors. eta vs tors. theta energy: -142.147
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: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1373.682539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.682539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.682539 (E_RNA)
where:
Base-Base interactions energy: -919.958
where: short stacking energy: -387.955
Base-Backbone interact. energy: -1.788
local terms energy: -451.937276
where:
bonds (distance) C4'-P energy: -104.422
bonds (distance) P-C4' energy: -91.969
flat angles C4'-P-C4' energy: -101.922
flat angles P-C4'-P energy: -60.599
tors. eta vs tors. theta energy: -93.025
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: 1
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1191.206136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.206136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.206136 (E_RNA)
where:
Base-Base interactions energy: -777.251
where: short stacking energy: -334.454
Base-Backbone interact. energy: -2.841
local terms energy: -411.114079
where:
bonds (distance) C4'-P energy: -83.535
bonds (distance) P-C4' energy: -107.821
flat angles C4'-P-C4' energy: -81.402
flat angles P-C4'-P energy: -70.623
tors. eta vs tors. theta energy: -67.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -951.773916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.773916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.773916 (E_RNA)
where:
Base-Base interactions energy: -561.697
where: short stacking energy: -276.516
Base-Backbone interact. energy: 3.227
local terms energy: -393.303475
where:
bonds (distance) C4'-P energy: -78.016
bonds (distance) P-C4' energy: -109.325
flat angles C4'-P-C4' energy: -105.370
flat angles P-C4'-P energy: -52.749
tors. eta vs tors. theta energy: -47.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -725.440246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.440246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.440246 (E_RNA)
where:
Base-Base interactions energy: -385.988
where: short stacking energy: -201.521
Base-Backbone interact. energy: -0.370
local terms energy: -339.082137
where:
bonds (distance) C4'-P energy: -91.361
bonds (distance) P-C4' energy: -103.800
flat angles C4'-P-C4' energy: -96.403
flat angles P-C4'-P energy: -49.593
tors. eta vs tors. theta energy: 2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -456.294843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.294843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.294843 (E_RNA)
where:
Base-Base interactions energy: -162.462
where: short stacking energy: -119.382
Base-Backbone interact. energy: -1.368
local terms energy: -292.464528
where:
bonds (distance) C4'-P energy: -85.660
bonds (distance) P-C4' energy: -99.201
flat angles C4'-P-C4' energy: -84.787
flat angles P-C4'-P energy: -42.765
tors. eta vs tors. theta energy: 19.948
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: 8
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -2001.224076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.224076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.224076 (E_RNA)
where:
Base-Base interactions energy: -1374.455
where: short stacking energy: -574.533
Base-Backbone interact. energy: -2.874
local terms energy: -623.895604
where:
bonds (distance) C4'-P energy: -114.676
bonds (distance) P-C4' energy: -128.045
flat angles C4'-P-C4' energy: -140.044
flat angles P-C4'-P energy: -72.782
tors. eta vs tors. theta energy: -168.349
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: 224
Temperature: 0.950000
Total energy: -1985.269920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.269920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.269920 (E_RNA)
where:
Base-Base interactions energy: -1378.015
where: short stacking energy: -590.911
Base-Backbone interact. energy: 4.862
local terms energy: -612.117369
where:
bonds (distance) C4'-P energy: -113.346
bonds (distance) P-C4' energy: -116.449
flat angles C4'-P-C4' energy: -127.584
flat angles P-C4'-P energy: -79.802
tors. eta vs tors. theta energy: -174.937
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: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1897.227379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.227379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.227379 (E_RNA)
where:
Base-Base interactions energy: -1348.211
where: short stacking energy: -553.058
Base-Backbone interact. energy: -1.296
local terms energy: -547.720729
where:
bonds (distance) C4'-P energy: -98.886
bonds (distance) P-C4' energy: -95.473
flat angles C4'-P-C4' energy: -111.029
flat angles P-C4'-P energy: -80.879
tors. eta vs tors. theta energy: -161.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1814.865064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.865064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.865064 (E_RNA)
where:
Base-Base interactions energy: -1236.445
where: short stacking energy: -526.227
Base-Backbone interact. energy: -3.833
local terms energy: -574.586647
where:
bonds (distance) C4'-P energy: -96.365
bonds (distance) P-C4' energy: -103.139
flat angles C4'-P-C4' energy: -140.971
flat angles P-C4'-P energy: -74.910
tors. eta vs tors. theta energy: -159.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1740.003573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.003573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.003573 (E_RNA)
where:
Base-Base interactions energy: -1197.690
where: short stacking energy: -490.456
Base-Backbone interact. energy: -1.575
local terms energy: -540.737824
where:
bonds (distance) C4'-P energy: -107.587
bonds (distance) P-C4' energy: -103.138
flat angles C4'-P-C4' energy: -120.394
flat angles P-C4'-P energy: -65.668
tors. eta vs tors. theta energy: -143.950
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: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1304.223304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.223304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.223304 (E_RNA)
where:
Base-Base interactions energy: -838.565
where: short stacking energy: -360.945
Base-Backbone interact. energy: -4.155
local terms energy: -461.502968
where:
bonds (distance) C4'-P energy: -102.287
bonds (distance) P-C4' energy: -122.533
flat angles C4'-P-C4' energy: -106.329
flat angles P-C4'-P energy: -53.723
tors. eta vs tors. theta energy: -76.631
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: 7, replica: 1
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1234.903393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.903393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.903393 (E_RNA)
where:
Base-Base interactions energy: -802.274
where: short stacking energy: -355.935
Base-Backbone interact. energy: 1.205
local terms energy: -433.834609
where:
bonds (distance) C4'-P energy: -77.292
bonds (distance) P-C4' energy: -113.308
flat angles C4'-P-C4' energy: -106.042
flat angles P-C4'-P energy: -54.488
tors. eta vs tors. theta energy: -82.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -905.467799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.467799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.467799 (E_RNA)
where:
Base-Base interactions energy: -515.611
where: short stacking energy: -259.547
Base-Backbone interact. energy: -2.827
local terms energy: -387.030162
where:
bonds (distance) C4'-P energy: -84.935
bonds (distance) P-C4' energy: -97.151
flat angles C4'-P-C4' energy: -92.622
flat angles P-C4'-P energy: -66.148
tors. eta vs tors. theta energy: -46.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -706.232645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.232645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.232645 (E_RNA)
where:
Base-Base interactions energy: -374.965
where: short stacking energy: -212.196
Base-Backbone interact. energy: -1.791
local terms energy: -329.476657
where:
bonds (distance) C4'-P energy: -92.089
bonds (distance) P-C4' energy: -85.540
flat angles C4'-P-C4' energy: -83.086
flat angles P-C4'-P energy: -52.412
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -521.505058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.505058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.505058 (E_RNA)
where:
Base-Base interactions energy: -221.781
where: short stacking energy: -147.780
Base-Backbone interact. energy: 0.963
local terms energy: -300.687449
where:
bonds (distance) C4'-P energy: -93.964
bonds (distance) P-C4' energy: -101.409
flat angles C4'-P-C4' energy: -75.015
flat angles P-C4'-P energy: -46.608
tors. eta vs tors. theta energy: 16.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -2018.734475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.734475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.734475 (E_RNA)
where:
Base-Base interactions energy: -1421.839
where: short stacking energy: -565.563
Base-Backbone interact. energy: -1.347
local terms energy: -595.549228
where:
bonds (distance) C4'-P energy: -115.170
bonds (distance) P-C4' energy: -111.247
flat angles C4'-P-C4' energy: -130.549
flat angles P-C4'-P energy: -83.344
tors. eta vs tors. theta energy: -155.239
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: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1980.876060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.876060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.876060 (E_RNA)
where:
Base-Base interactions energy: -1367.829
where: short stacking energy: -557.164
Base-Backbone interact. energy: -3.191
local terms energy: -609.855985
where:
bonds (distance) C4'-P energy: -116.063
bonds (distance) P-C4' energy: -114.492
flat angles C4'-P-C4' energy: -124.545
flat angles P-C4'-P energy: -88.852
tors. eta vs tors. theta energy: -165.904
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: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1912.262838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.262838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.262838 (E_RNA)
where:
Base-Base interactions energy: -1317.224
where: short stacking energy: -533.143
Base-Backbone interact. energy: -3.874
local terms energy: -591.164813
where:
bonds (distance) C4'-P energy: -112.398
bonds (distance) P-C4' energy: -113.128
flat angles C4'-P-C4' energy: -122.645
flat angles P-C4'-P energy: -80.857
tors. eta vs tors. theta energy: -162.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1822.909989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.909989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.909989 (E_RNA)
where:
Base-Base interactions energy: -1238.717
where: short stacking energy: -515.957
Base-Backbone interact. energy: -4.138
local terms energy: -580.055109
where:
bonds (distance) C4'-P energy: -98.539
bonds (distance) P-C4' energy: -107.208
flat angles C4'-P-C4' energy: -121.802
flat angles P-C4'-P energy: -90.608
tors. eta vs tors. theta energy: -161.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1756.313795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.313795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.313795 (E_RNA)
where:
Base-Base interactions energy: -1204.040
where: short stacking energy: -511.786
Base-Backbone interact. energy: -2.947
local terms energy: -549.327064
where:
bonds (distance) C4'-P energy: -103.518
bonds (distance) P-C4' energy: -115.094
flat angles C4'-P-C4' energy: -120.692
flat angles P-C4'-P energy: -68.641
tors. eta vs tors. theta energy: -141.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1303.720663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.720663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.720663 (E_RNA)
where:
Base-Base interactions energy: -855.569
where: short stacking energy: -393.245
Base-Backbone interact. energy: -1.282
local terms energy: -446.869359
where:
bonds (distance) C4'-P energy: -100.804
bonds (distance) P-C4' energy: -90.860
flat angles C4'-P-C4' energy: -94.635
flat angles P-C4'-P energy: -79.897
tors. eta vs tors. theta energy: -80.672
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: 1
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1242.670254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.670254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.670254 (E_RNA)
where:
Base-Base interactions energy: -814.400
where: short stacking energy: -349.727
Base-Backbone interact. energy: 1.738
local terms energy: -430.008913
where:
bonds (distance) C4'-P energy: -93.658
bonds (distance) P-C4' energy: -109.526
flat angles C4'-P-C4' energy: -93.574
flat angles P-C4'-P energy: -58.431
tors. eta vs tors. theta energy: -74.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -875.784784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.784784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.784784 (E_RNA)
where:
Base-Base interactions energy: -520.436
where: short stacking energy: -264.101
Base-Backbone interact. energy: 3.642
local terms energy: -358.991367
where:
bonds (distance) C4'-P energy: -89.122
bonds (distance) P-C4' energy: -100.911
flat angles C4'-P-C4' energy: -83.020
flat angles P-C4'-P energy: -45.746
tors. eta vs tors. theta energy: -40.192
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: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -729.532111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.532111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.532111 (E_RNA)
where:
Base-Base interactions energy: -414.611
where: short stacking energy: -212.755
Base-Backbone interact. energy: -2.140
local terms energy: -312.780802
where:
bonds (distance) C4'-P energy: -104.116
bonds (distance) P-C4' energy: -75.207
flat angles C4'-P-C4' energy: -81.469
flat angles P-C4'-P energy: -51.059
tors. eta vs tors. theta energy: -0.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -485.445076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.445076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.445076 (E_RNA)
where:
Base-Base interactions energy: -188.602
where: short stacking energy: -143.222
Base-Backbone interact. energy: -1.223
local terms energy: -295.619674
where:
bonds (distance) C4'-P energy: -86.624
bonds (distance) P-C4' energy: -102.713
flat angles C4'-P-C4' energy: -75.023
flat angles P-C4'-P energy: -52.299
tors. eta vs tors. theta energy: 21.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -2046.115849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.115849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.115849 (E_RNA)
where:
Base-Base interactions energy: -1419.501
where: short stacking energy: -576.329
Base-Backbone interact. energy: -4.144
local terms energy: -622.470703
where:
bonds (distance) C4'-P energy: -103.913
bonds (distance) P-C4' energy: -129.913
flat angles C4'-P-C4' energy: -127.727
flat angles P-C4'-P energy: -91.722
tors. eta vs tors. theta energy: -169.196
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: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1967.189693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.189693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.189693 (E_RNA)
where:
Base-Base interactions energy: -1363.054
where: short stacking energy: -565.477
Base-Backbone interact. energy: -2.714
local terms energy: -601.421112
where:
bonds (distance) C4'-P energy: -114.534
bonds (distance) P-C4' energy: -107.332
flat angles C4'-P-C4' energy: -130.424
flat angles P-C4'-P energy: -80.550
tors. eta vs tors. theta energy: -168.581
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: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1939.377915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.377915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.377915 (E_RNA)
where:
Base-Base interactions energy: -1334.814
where: short stacking energy: -574.478
Base-Backbone interact. energy: -1.337
local terms energy: -603.226778
where:
bonds (distance) C4'-P energy: -115.248
bonds (distance) P-C4' energy: -105.695
flat angles C4'-P-C4' energy: -128.666
flat angles P-C4'-P energy: -86.698
tors. eta vs tors. theta energy: -166.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1824.511862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.511862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.511862 (E_RNA)
where:
Base-Base interactions energy: -1236.109
where: short stacking energy: -543.085
Base-Backbone interact. energy: -2.496
local terms energy: -585.907127
where:
bonds (distance) C4'-P energy: -92.818
bonds (distance) P-C4' energy: -119.512
flat angles C4'-P-C4' energy: -128.452
flat angles P-C4'-P energy: -89.099
tors. eta vs tors. theta energy: -156.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1774.185350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.185350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.185350 (E_RNA)
where:
Base-Base interactions energy: -1229.857
where: short stacking energy: -525.293
Base-Backbone interact. energy: 1.644
local terms energy: -545.972413
where:
bonds (distance) C4'-P energy: -101.812
bonds (distance) P-C4' energy: -100.665
flat angles C4'-P-C4' energy: -116.103
flat angles P-C4'-P energy: -82.610
tors. eta vs tors. theta energy: -144.783
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: 226
Temperature: 1.150000
Total energy: -1341.339594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.339594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.339594 (E_RNA)
where:
Base-Base interactions energy: -883.649
where: short stacking energy: -402.423
Base-Backbone interact. energy: -5.037
local terms energy: -452.654039
where:
bonds (distance) C4'-P energy: -95.444
bonds (distance) P-C4' energy: -95.252
flat angles C4'-P-C4' energy: -112.940
flat angles P-C4'-P energy: -65.000
tors. eta vs tors. theta energy: -84.018
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: 1
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1247.881185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.881185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.881185 (E_RNA)
where:
Base-Base interactions energy: -810.202
where: short stacking energy: -376.014
Base-Backbone interact. energy: 1.246
local terms energy: -438.925064
where:
bonds (distance) C4'-P energy: -103.963
bonds (distance) P-C4' energy: -86.922
flat angles C4'-P-C4' energy: -107.328
flat angles P-C4'-P energy: -65.303
tors. eta vs tors. theta energy: -75.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -934.325136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.325136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.325136 (E_RNA)
where:
Base-Base interactions energy: -553.837
where: short stacking energy: -250.920
Base-Backbone interact. energy: -1.156
local terms energy: -379.332027
where:
bonds (distance) C4'-P energy: -99.378
bonds (distance) P-C4' energy: -106.988
flat angles C4'-P-C4' energy: -87.557
flat angles P-C4'-P energy: -66.478
tors. eta vs tors. theta energy: -18.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -761.613532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.613532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.613532 (E_RNA)
where:
Base-Base interactions energy: -405.262
where: short stacking energy: -206.897
Base-Backbone interact. energy: -3.306
local terms energy: -353.044766
where:
bonds (distance) C4'-P energy: -108.560
bonds (distance) P-C4' energy: -85.400
flat angles C4'-P-C4' energy: -94.637
flat angles P-C4'-P energy: -54.839
tors. eta vs tors. theta energy: -9.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -479.615649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.615649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.615649 (E_RNA)
where:
Base-Base interactions energy: -159.590
where: short stacking energy: -109.786
Base-Backbone interact. energy: -3.438
local terms energy: -316.587861
where:
bonds (distance) C4'-P energy: -85.949
bonds (distance) P-C4' energy: -107.107
flat angles C4'-P-C4' energy: -99.606
flat angles P-C4'-P energy: -47.731
tors. eta vs tors. theta energy: 23.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -2043.381768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.381768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.381768 (E_RNA)
where:
Base-Base interactions energy: -1408.099
where: short stacking energy: -602.106
Base-Backbone interact. energy: -3.336
local terms energy: -631.946973
where:
bonds (distance) C4'-P energy: -120.263
bonds (distance) P-C4' energy: -123.388
flat angles C4'-P-C4' energy: -132.161
flat angles P-C4'-P energy: -87.550
tors. eta vs tors. theta energy: -168.585
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: 227
Temperature: 0.950000
Total energy: -1964.813027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.813027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.813027 (E_RNA)
where:
Base-Base interactions energy: -1358.349
where: short stacking energy: -580.299
Base-Backbone interact. energy: -0.865
local terms energy: -605.598967
where:
bonds (distance) C4'-P energy: -121.035
bonds (distance) P-C4' energy: -107.813
flat angles C4'-P-C4' energy: -125.914
flat angles P-C4'-P energy: -87.666
tors. eta vs tors. theta energy: -163.171
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: 227
Temperature: 1.000000
Total energy: -1937.956383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.956383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.956383 (E_RNA)
where:
Base-Base interactions energy: -1362.609
where: short stacking energy: -564.497
Base-Backbone interact. energy: -2.010
local terms energy: -573.337597
where:
bonds (distance) C4'-P energy: -110.527
bonds (distance) P-C4' energy: -103.518
flat angles C4'-P-C4' energy: -126.037
flat angles P-C4'-P energy: -69.006
tors. eta vs tors. theta energy: -164.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1830.654503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.654503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.654503 (E_RNA)
where:
Base-Base interactions energy: -1264.377
where: short stacking energy: -506.784
Base-Backbone interact. energy: -2.256
local terms energy: -564.021856
where:
bonds (distance) C4'-P energy: -104.129
bonds (distance) P-C4' energy: -117.446
flat angles C4'-P-C4' energy: -122.460
flat angles P-C4'-P energy: -71.169
tors. eta vs tors. theta energy: -148.818
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: 6
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1780.845248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.845248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.845248 (E_RNA)
where:
Base-Base interactions energy: -1198.326
where: short stacking energy: -515.723
Base-Backbone interact. energy: -4.636
local terms energy: -577.884045
where:
bonds (distance) C4'-P energy: -108.443
bonds (distance) P-C4' energy: -110.671
flat angles C4'-P-C4' energy: -120.822
flat angles P-C4'-P energy: -76.553
tors. eta vs tors. theta energy: -161.395
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: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1310.832532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.832532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.832532 (E_RNA)
where:
Base-Base interactions energy: -846.831
where: short stacking energy: -399.264
Base-Backbone interact. energy: -2.980
local terms energy: -461.021586
where:
bonds (distance) C4'-P energy: -91.482
bonds (distance) P-C4' energy: -99.689
flat angles C4'-P-C4' energy: -97.032
flat angles P-C4'-P energy: -74.683
tors. eta vs tors. theta energy: -98.135
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: 227
Temperature: 1.200000
Total energy: -1231.379340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.379340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.379340 (E_RNA)
where:
Base-Base interactions energy: -793.636
where: short stacking energy: -363.822
Base-Backbone interact. energy: -2.252
local terms energy: -435.490916
where:
bonds (distance) C4'-P energy: -96.418
bonds (distance) P-C4' energy: -87.316
flat angles C4'-P-C4' energy: -100.176
flat angles P-C4'-P energy: -75.867
tors. eta vs tors. theta energy: -75.714
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: 227
Temperature: 1.250000
Total energy: -913.923153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.923153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.923153 (E_RNA)
where:
Base-Base interactions energy: -537.815
where: short stacking energy: -267.356
Base-Backbone interact. energy: 1.322
local terms energy: -377.429623
where:
bonds (distance) C4'-P energy: -95.275
bonds (distance) P-C4' energy: -87.865
flat angles C4'-P-C4' energy: -97.768
flat angles P-C4'-P energy: -67.403
tors. eta vs tors. theta energy: -29.118
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: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -731.168311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.168311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.168311 (E_RNA)
where:
Base-Base interactions energy: -387.829
where: short stacking energy: -190.928
Base-Backbone interact. energy: 0.470
local terms energy: -343.809043
where:
bonds (distance) C4'-P energy: -87.891
bonds (distance) P-C4' energy: -100.516
flat angles C4'-P-C4' energy: -92.090
flat angles P-C4'-P energy: -56.063
tors. eta vs tors. theta energy: -7.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -492.057912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.057912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.057912 (E_RNA)
where:
Base-Base interactions energy: -199.281
where: short stacking energy: -125.713
Base-Backbone interact. energy: 3.584
local terms energy: -296.361488
where:
bonds (distance) C4'-P energy: -95.387
bonds (distance) P-C4' energy: -110.756
flat angles C4'-P-C4' energy: -74.168
flat angles P-C4'-P energy: -48.840
tors. eta vs tors. theta energy: 32.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -2026.085864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.085864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.085864 (E_RNA)
where:
Base-Base interactions energy: -1408.877
where: short stacking energy: -579.298
Base-Backbone interact. energy: -1.566
local terms energy: -615.643178
where:
bonds (distance) C4'-P energy: -107.638
bonds (distance) P-C4' energy: -131.682
flat angles C4'-P-C4' energy: -137.624
flat angles P-C4'-P energy: -80.080
tors. eta vs tors. theta energy: -158.619
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: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1973.676408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.676408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.676408 (E_RNA)
where:
Base-Base interactions energy: -1365.531
where: short stacking energy: -575.277
Base-Backbone interact. energy: 3.248
local terms energy: -611.393324
where:
bonds (distance) C4'-P energy: -112.083
bonds (distance) P-C4' energy: -108.488
flat angles C4'-P-C4' energy: -124.832
flat angles P-C4'-P energy: -98.526
tors. eta vs tors. theta energy: -167.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1939.006553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.006553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.006553 (E_RNA)
where:
Base-Base interactions energy: -1333.382
where: short stacking energy: -559.060
Base-Backbone interact. energy: 5.237
local terms energy: -610.861935
where:
bonds (distance) C4'-P energy: -118.170
bonds (distance) P-C4' energy: -105.910
flat angles C4'-P-C4' energy: -131.958
flat angles P-C4'-P energy: -95.519
tors. eta vs tors. theta energy: -159.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1812.517968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.517968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.517968 (E_RNA)
where:
Base-Base interactions energy: -1257.218
where: short stacking energy: -526.111
Base-Backbone interact. energy: -2.038
local terms energy: -553.262093
where:
bonds (distance) C4'-P energy: -102.688
bonds (distance) P-C4' energy: -114.550
flat angles C4'-P-C4' energy: -119.218
flat angles P-C4'-P energy: -78.253
tors. eta vs tors. theta energy: -138.552
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: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1751.350742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.350742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.350742 (E_RNA)
where:
Base-Base interactions energy: -1215.473
where: short stacking energy: -532.737
Base-Backbone interact. energy: -1.691
local terms energy: -534.187242
where:
bonds (distance) C4'-P energy: -96.288
bonds (distance) P-C4' energy: -96.518
flat angles C4'-P-C4' energy: -111.505
flat angles P-C4'-P energy: -70.699
tors. eta vs tors. theta energy: -159.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1329.364142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.364142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.364142 (E_RNA)
where:
Base-Base interactions energy: -857.853
where: short stacking energy: -386.236
Base-Backbone interact. energy: -0.701
local terms energy: -470.809902
where:
bonds (distance) C4'-P energy: -93.794
bonds (distance) P-C4' energy: -101.287
flat angles C4'-P-C4' energy: -112.016
flat angles P-C4'-P energy: -64.932
tors. eta vs tors. theta energy: -98.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1176.751785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.751785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.751785 (E_RNA)
where:
Base-Base interactions energy: -748.041
where: short stacking energy: -314.001
Base-Backbone interact. energy: -1.599
local terms energy: -427.111333
where:
bonds (distance) C4'-P energy: -105.171
bonds (distance) P-C4' energy: -100.077
flat angles C4'-P-C4' energy: -103.555
flat angles P-C4'-P energy: -61.546
tors. eta vs tors. theta energy: -56.762
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: 228
Temperature: 1.250000
Total energy: -886.204709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.204709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.204709 (E_RNA)
where:
Base-Base interactions energy: -514.674
where: short stacking energy: -238.134
Base-Backbone interact. energy: -2.655
local terms energy: -368.875589
where:
bonds (distance) C4'-P energy: -94.574
bonds (distance) P-C4' energy: -100.584
flat angles C4'-P-C4' energy: -87.716
flat angles P-C4'-P energy: -54.189
tors. eta vs tors. theta energy: -31.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -543.312817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.312817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.312817 (E_RNA)
where:
Base-Base interactions energy: -232.418
where: short stacking energy: -150.622
Base-Backbone interact. energy: -4.479
local terms energy: -306.415239
where:
bonds (distance) C4'-P energy: -103.355
bonds (distance) P-C4' energy: -97.001
flat angles C4'-P-C4' energy: -83.131
flat angles P-C4'-P energy: -36.245
tors. eta vs tors. theta energy: 13.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -733.550982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.550982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.550982 (E_RNA)
where:
Base-Base interactions energy: -409.187
where: short stacking energy: -238.293
Base-Backbone interact. energy: -1.557
local terms energy: -322.806455
where:
bonds (distance) C4'-P energy: -76.582
bonds (distance) P-C4' energy: -93.722
flat angles C4'-P-C4' energy: -92.389
flat angles P-C4'-P energy: -45.531
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -2026.675876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.675876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.675876 (E_RNA)
where:
Base-Base interactions energy: -1415.601
where: short stacking energy: -608.419
Base-Backbone interact. energy: -0.645
local terms energy: -610.430273
where:
bonds (distance) C4'-P energy: -102.366
bonds (distance) P-C4' energy: -114.843
flat angles C4'-P-C4' energy: -136.441
flat angles P-C4'-P energy: -92.012
tors. eta vs tors. theta energy: -164.768
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: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1965.007310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.007310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.007310 (E_RNA)
where:
Base-Base interactions energy: -1372.214
where: short stacking energy: -576.005
Base-Backbone interact. energy: -1.789
local terms energy: -591.004674
where:
bonds (distance) C4'-P energy: -116.716
bonds (distance) P-C4' energy: -123.149
flat angles C4'-P-C4' energy: -110.074
flat angles P-C4'-P energy: -79.045
tors. eta vs tors. theta energy: -162.021
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: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1957.547679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.547679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.547679 (E_RNA)
where:
Base-Base interactions energy: -1339.958
where: short stacking energy: -579.760
Base-Backbone interact. energy: 0.243
local terms energy: -617.833445
where:
bonds (distance) C4'-P energy: -114.182
bonds (distance) P-C4' energy: -119.730
flat angles C4'-P-C4' energy: -129.726
flat angles P-C4'-P energy: -100.420
tors. eta vs tors. theta energy: -153.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1814.331142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.331142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.331142 (E_RNA)
where:
Base-Base interactions energy: -1259.982
where: short stacking energy: -532.411
Base-Backbone interact. energy: 0.189
local terms energy: -554.537683
where:
bonds (distance) C4'-P energy: -102.642
bonds (distance) P-C4' energy: -98.784
flat angles C4'-P-C4' energy: -118.516
flat angles P-C4'-P energy: -79.038
tors. eta vs tors. theta energy: -155.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1743.819257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.819257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.819257 (E_RNA)
where:
Base-Base interactions energy: -1173.184
where: short stacking energy: -497.364
Base-Backbone interact. energy: -1.439
local terms energy: -569.196272
where:
bonds (distance) C4'-P energy: -92.082
bonds (distance) P-C4' energy: -105.498
flat angles C4'-P-C4' energy: -129.660
flat angles P-C4'-P energy: -88.787
tors. eta vs tors. theta energy: -153.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1376.679915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.679915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.679915 (E_RNA)
where:
Base-Base interactions energy: -891.385
where: short stacking energy: -407.017
Base-Backbone interact. energy: -2.334
local terms energy: -482.961403
where:
bonds (distance) C4'-P energy: -95.792
bonds (distance) P-C4' energy: -93.010
flat angles C4'-P-C4' energy: -113.424
flat angles P-C4'-P energy: -75.608
tors. eta vs tors. theta energy: -105.127
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: 229
Temperature: 1.200000
Total energy: -1183.626639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.626639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.626639 (E_RNA)
where:
Base-Base interactions energy: -748.167
where: short stacking energy: -305.447
Base-Backbone interact. energy: 3.755
local terms energy: -439.214918
where:
bonds (distance) C4'-P energy: -111.518
bonds (distance) P-C4' energy: -99.042
flat angles C4'-P-C4' energy: -104.211
flat angles P-C4'-P energy: -66.561
tors. eta vs tors. theta energy: -57.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -944.385644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.385644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.385644 (E_RNA)
where:
Base-Base interactions energy: -564.043
where: short stacking energy: -259.164
Base-Backbone interact. energy: -3.410
local terms energy: -376.932702
where:
bonds (distance) C4'-P energy: -87.883
bonds (distance) P-C4' energy: -101.380
flat angles C4'-P-C4' energy: -90.476
flat angles P-C4'-P energy: -67.599
tors. eta vs tors. theta energy: -29.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -474.882214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.882214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.882214 (E_RNA)
where:
Base-Base interactions energy: -169.924
where: short stacking energy: -134.352
Base-Backbone interact. energy: -3.510
local terms energy: -301.447451
where:
bonds (distance) C4'-P energy: -85.037
bonds (distance) P-C4' energy: -108.265
flat angles C4'-P-C4' energy: -80.709
flat angles P-C4'-P energy: -51.432
tors. eta vs tors. theta energy: 23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -635.741670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.741670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.741670 (E_RNA)
where:
Base-Base interactions energy: -317.054
where: short stacking energy: -169.586
Base-Backbone interact. energy: 0.390
local terms energy: -319.077738
where:
bonds (distance) C4'-P energy: -94.894
bonds (distance) P-C4' energy: -114.711
flat angles C4'-P-C4' energy: -71.020
flat angles P-C4'-P energy: -44.513
tors. eta vs tors. theta energy: 6.060
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: 1, replica: 8
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -2052.712451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.712451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.712451 (E_RNA)
where:
Base-Base interactions energy: -1423.064
where: short stacking energy: -587.026
Base-Backbone interact. energy: -5.532
local terms energy: -624.116856
where:
bonds (distance) C4'-P energy: -111.833
bonds (distance) P-C4' energy: -122.124
flat angles C4'-P-C4' energy: -123.908
flat angles P-C4'-P energy: -86.857
tors. eta vs tors. theta energy: -179.394
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: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1993.687523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.687523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.687523 (E_RNA)
where:
Base-Base interactions energy: -1390.144
where: short stacking energy: -590.613
Base-Backbone interact. energy: -0.608
local terms energy: -602.935226
where:
bonds (distance) C4'-P energy: -102.381
bonds (distance) P-C4' energy: -116.509
flat angles C4'-P-C4' energy: -129.342
flat angles P-C4'-P energy: -80.980
tors. eta vs tors. theta energy: -173.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1919.645593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.645593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.645593 (E_RNA)
where:
Base-Base interactions energy: -1344.142
where: short stacking energy: -557.633
Base-Backbone interact. energy: -0.761
local terms energy: -574.742521
where:
bonds (distance) C4'-P energy: -110.189
bonds (distance) P-C4' energy: -108.452
flat angles C4'-P-C4' energy: -124.841
flat angles P-C4'-P energy: -80.079
tors. eta vs tors. theta energy: -151.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1872.004280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.004280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.004280 (E_RNA)
where:
Base-Base interactions energy: -1284.815
where: short stacking energy: -532.214
Base-Backbone interact. energy: -0.149
local terms energy: -587.040970
where:
bonds (distance) C4'-P energy: -103.497
bonds (distance) P-C4' energy: -98.675
flat angles C4'-P-C4' energy: -127.306
flat angles P-C4'-P energy: -96.337
tors. eta vs tors. theta energy: -161.226
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: 6
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1729.059129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.059129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.059129 (E_RNA)
where:
Base-Base interactions energy: -1181.568
where: short stacking energy: -502.304
Base-Backbone interact. energy: 0.233
local terms energy: -547.724323
where:
bonds (distance) C4'-P energy: -96.332
bonds (distance) P-C4' energy: -107.420
flat angles C4'-P-C4' energy: -113.725
flat angles P-C4'-P energy: -73.455
tors. eta vs tors. theta energy: -156.793
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: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1393.763664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.763664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.763664 (E_RNA)
where:
Base-Base interactions energy: -900.158
where: short stacking energy: -410.458
Base-Backbone interact. energy: 1.027
local terms energy: -494.632602
where:
bonds (distance) C4'-P energy: -95.179
bonds (distance) P-C4' energy: -112.897
flat angles C4'-P-C4' energy: -113.232
flat angles P-C4'-P energy: -64.620
tors. eta vs tors. theta energy: -108.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1193.742904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.742904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.742904 (E_RNA)
where:
Base-Base interactions energy: -736.376
where: short stacking energy: -328.547
Base-Backbone interact. energy: -0.990
local terms energy: -456.377066
where:
bonds (distance) C4'-P energy: -99.607
bonds (distance) P-C4' energy: -108.274
flat angles C4'-P-C4' energy: -101.751
flat angles P-C4'-P energy: -74.228
tors. eta vs tors. theta energy: -72.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -970.098903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.098903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.098903 (E_RNA)
where:
Base-Base interactions energy: -588.741
where: short stacking energy: -275.006
Base-Backbone interact. energy: 0.550
local terms energy: -381.907831
where:
bonds (distance) C4'-P energy: -95.705
bonds (distance) P-C4' energy: -103.251
flat angles C4'-P-C4' energy: -96.351
flat angles P-C4'-P energy: -55.476
tors. eta vs tors. theta energy: -31.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -691.038866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.038866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.038866 (E_RNA)
where:
Base-Base interactions energy: -345.854
where: short stacking energy: -196.491
Base-Backbone interact. energy: -2.869
local terms energy: -342.315820
where:
bonds (distance) C4'-P energy: -90.421
bonds (distance) P-C4' energy: -91.240
flat angles C4'-P-C4' energy: -86.869
flat angles P-C4'-P energy: -58.135
tors. eta vs tors. theta energy: -15.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -460.333104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.333104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.333104 (E_RNA)
where:
Base-Base interactions energy: -141.213
where: short stacking energy: -120.262
Base-Backbone interact. energy: 0.297
local terms energy: -319.417337
where:
bonds (distance) C4'-P energy: -86.627
bonds (distance) P-C4' energy: -111.393
flat angles C4'-P-C4' energy: -82.334
flat angles P-C4'-P energy: -47.055
tors. eta vs tors. theta energy: 7.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -2028.187477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.187477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.187477 (E_RNA)
where:
Base-Base interactions energy: -1408.409
where: short stacking energy: -592.443
Base-Backbone interact. energy: 0.471
local terms energy: -620.249467
where:
bonds (distance) C4'-P energy: -122.578
bonds (distance) P-C4' energy: -99.193
flat angles C4'-P-C4' energy: -131.834
flat angles P-C4'-P energy: -98.109
tors. eta vs tors. theta energy: -168.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -2010.135978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.135978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.135978 (E_RNA)
where:
Base-Base interactions energy: -1400.863
where: short stacking energy: -600.309
Base-Backbone interact. energy: -3.122
local terms energy: -606.151469
where:
bonds (distance) C4'-P energy: -115.300
bonds (distance) P-C4' energy: -108.934
flat angles C4'-P-C4' energy: -126.694
flat angles P-C4'-P energy: -80.048
tors. eta vs tors. theta energy: -175.175
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: 9
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1920.593232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.593232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.593232 (E_RNA)
where:
Base-Base interactions energy: -1335.792
where: short stacking energy: -562.617
Base-Backbone interact. energy: -1.376
local terms energy: -583.425659
where:
bonds (distance) C4'-P energy: -103.928
bonds (distance) P-C4' energy: -113.592
flat angles C4'-P-C4' energy: -119.406
flat angles P-C4'-P energy: -79.107
tors. eta vs tors. theta energy: -167.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1882.831806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.831806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.831806 (E_RNA)
where:
Base-Base interactions energy: -1287.030
where: short stacking energy: -549.495
Base-Backbone interact. energy: 4.139
local terms energy: -599.940735
where:
bonds (distance) C4'-P energy: -104.967
bonds (distance) P-C4' energy: -116.819
flat angles C4'-P-C4' energy: -127.804
flat angles P-C4'-P energy: -93.019
tors. eta vs tors. theta energy: -157.332
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: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1713.767776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.767776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.767776 (E_RNA)
where:
Base-Base interactions energy: -1171.170
where: short stacking energy: -499.710
Base-Backbone interact. energy: 1.230
local terms energy: -543.827537
where:
bonds (distance) C4'-P energy: -102.904
bonds (distance) P-C4' energy: -98.589
flat angles C4'-P-C4' energy: -110.424
flat angles P-C4'-P energy: -74.971
tors. eta vs tors. theta energy: -156.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1374.242648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.242648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.242648 (E_RNA)
where:
Base-Base interactions energy: -916.738
where: short stacking energy: -403.905
Base-Backbone interact. energy: 0.488
local terms energy: -457.992876
where:
bonds (distance) C4'-P energy: -87.603
bonds (distance) P-C4' energy: -109.411
flat angles C4'-P-C4' energy: -100.282
flat angles P-C4'-P energy: -72.408
tors. eta vs tors. theta energy: -88.289
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: 7, replica: 1
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1170.480279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.480279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.480279 (E_RNA)
where:
Base-Base interactions energy: -735.102
where: short stacking energy: -334.939
Base-Backbone interact. energy: -0.582
local terms energy: -434.796016
where:
bonds (distance) C4'-P energy: -108.676
bonds (distance) P-C4' energy: -96.261
flat angles C4'-P-C4' energy: -108.899
flat angles P-C4'-P energy: -68.584
tors. eta vs tors. theta energy: -52.376
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: 231
Temperature: 1.250000
Total energy: -923.482837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.482837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.482837 (E_RNA)
where:
Base-Base interactions energy: -549.563
where: short stacking energy: -260.327
Base-Backbone interact. energy: 7.858
local terms energy: -381.778248
where:
bonds (distance) C4'-P energy: -97.005
bonds (distance) P-C4' energy: -102.074
flat angles C4'-P-C4' energy: -81.087
flat angles P-C4'-P energy: -55.655
tors. eta vs tors. theta energy: -45.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -641.781678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.781678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.781678 (E_RNA)
where:
Base-Base interactions energy: -307.204
where: short stacking energy: -175.224
Base-Backbone interact. energy: 0.328
local terms energy: -334.906018
where:
bonds (distance) C4'-P energy: -102.607
bonds (distance) P-C4' energy: -90.972
flat angles C4'-P-C4' energy: -92.322
flat angles P-C4'-P energy: -57.901
tors. eta vs tors. theta energy: 8.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -465.287876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.287876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.287876 (E_RNA)
where:
Base-Base interactions energy: -178.067
where: short stacking energy: -141.511
Base-Backbone interact. energy: 5.780
local terms energy: -293.001421
where:
bonds (distance) C4'-P energy: -99.595
bonds (distance) P-C4' energy: -87.619
flat angles C4'-P-C4' energy: -78.031
flat angles P-C4'-P energy: -40.793
tors. eta vs tors. theta energy: 13.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -2054.762691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.762691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.762691 (E_RNA)
where:
Base-Base interactions energy: -1444.183
where: short stacking energy: -613.088
Base-Backbone interact. energy: -1.303
local terms energy: -609.277018
where:
bonds (distance) C4'-P energy: -98.411
bonds (distance) P-C4' energy: -119.913
flat angles C4'-P-C4' energy: -133.883
flat angles P-C4'-P energy: -85.549
tors. eta vs tors. theta energy: -171.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1960.578396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.578396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.578396 (E_RNA)
where:
Base-Base interactions energy: -1348.169
where: short stacking energy: -565.320
Base-Backbone interact. energy: -1.560
local terms energy: -610.849273
where:
bonds (distance) C4'-P energy: -117.953
bonds (distance) P-C4' energy: -129.086
flat angles C4'-P-C4' energy: -124.399
flat angles P-C4'-P energy: -75.444
tors. eta vs tors. theta energy: -163.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1951.299226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.299226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.299226 (E_RNA)
where:
Base-Base interactions energy: -1361.568
where: short stacking energy: -562.250
Base-Backbone interact. energy: -3.655
local terms energy: -586.076158
where:
bonds (distance) C4'-P energy: -115.372
bonds (distance) P-C4' energy: -109.098
flat angles C4'-P-C4' energy: -123.680
flat angles P-C4'-P energy: -75.649
tors. eta vs tors. theta energy: -162.277
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: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1854.865967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.865967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.865967 (E_RNA)
where:
Base-Base interactions energy: -1268.753
where: short stacking energy: -528.364
Base-Backbone interact. energy: -3.779
local terms energy: -582.333756
where:
bonds (distance) C4'-P energy: -92.676
bonds (distance) P-C4' energy: -114.039
flat angles C4'-P-C4' energy: -134.456
flat angles P-C4'-P energy: -79.703
tors. eta vs tors. theta energy: -161.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1725.336579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.336579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.336579 (E_RNA)
where:
Base-Base interactions energy: -1199.250
where: short stacking energy: -492.261
Base-Backbone interact. energy: -1.435
local terms energy: -524.651651
where:
bonds (distance) C4'-P energy: -110.231
bonds (distance) P-C4' energy: -88.257
flat angles C4'-P-C4' energy: -100.329
flat angles P-C4'-P energy: -79.436
tors. eta vs tors. theta energy: -146.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1471.764278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.764278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.764278 (E_RNA)
where:
Base-Base interactions energy: -970.166
where: short stacking energy: -426.438
Base-Backbone interact. energy: -2.306
local terms energy: -499.292768
where:
bonds (distance) C4'-P energy: -107.217
bonds (distance) P-C4' energy: -87.336
flat angles C4'-P-C4' energy: -117.086
flat angles P-C4'-P energy: -78.653
tors. eta vs tors. theta energy: -109.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1231.697316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.697316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.697316 (E_RNA)
where:
Base-Base interactions energy: -760.119
where: short stacking energy: -345.403
Base-Backbone interact. energy: 7.467
local terms energy: -479.045308
where:
bonds (distance) C4'-P energy: -105.483
bonds (distance) P-C4' energy: -117.145
flat angles C4'-P-C4' energy: -105.502
flat angles P-C4'-P energy: -74.681
tors. eta vs tors. theta energy: -76.235
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: 232
Temperature: 1.250000
Total energy: -858.984958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.984958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.984958 (E_RNA)
where:
Base-Base interactions energy: -497.933
where: short stacking energy: -249.746
Base-Backbone interact. energy: 0.900
local terms energy: -361.952124
where:
bonds (distance) C4'-P energy: -116.969
bonds (distance) P-C4' energy: -66.710
flat angles C4'-P-C4' energy: -91.099
flat angles P-C4'-P energy: -66.694
tors. eta vs tors. theta energy: -20.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -679.023787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.023787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.023787 (E_RNA)
where:
Base-Base interactions energy: -334.532
where: short stacking energy: -175.184
Base-Backbone interact. energy: 1.551
local terms energy: -346.042622
where:
bonds (distance) C4'-P energy: -105.747
bonds (distance) P-C4' energy: -86.834
flat angles C4'-P-C4' energy: -75.227
flat angles P-C4'-P energy: -73.821
tors. eta vs tors. theta energy: -4.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -465.550965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.550965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.550965 (E_RNA)
where:
Base-Base interactions energy: -157.293
where: short stacking energy: -120.886
Base-Backbone interact. energy: 2.930
local terms energy: -311.187273
where:
bonds (distance) C4'-P energy: -98.476
bonds (distance) P-C4' energy: -94.234
flat angles C4'-P-C4' energy: -84.566
flat angles P-C4'-P energy: -53.960
tors. eta vs tors. theta energy: 20.049
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: 8
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -2021.606001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.606001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.606001 (E_RNA)
where:
Base-Base interactions energy: -1405.903
where: short stacking energy: -587.997
Base-Backbone interact. energy: -1.748
local terms energy: -613.954874
where:
bonds (distance) C4'-P energy: -117.836
bonds (distance) P-C4' energy: -117.577
flat angles C4'-P-C4' energy: -129.006
flat angles P-C4'-P energy: -86.947
tors. eta vs tors. theta energy: -162.588
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: 2, replica: 9
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -1991.407650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.407650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.407650 (E_RNA)
where:
Base-Base interactions energy: -1391.151
where: short stacking energy: -559.624
Base-Backbone interact. energy: -3.753
local terms energy: -596.503629
where:
bonds (distance) C4'-P energy: -96.917
bonds (distance) P-C4' energy: -119.950
flat angles C4'-P-C4' energy: -131.723
flat angles P-C4'-P energy: -76.462
tors. eta vs tors. theta energy: -171.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1939.718697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.718697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.718697 (E_RNA)
where:
Base-Base interactions energy: -1321.945
where: short stacking energy: -551.019
Base-Backbone interact. energy: -1.917
local terms energy: -615.857015
where:
bonds (distance) C4'-P energy: -106.190
bonds (distance) P-C4' energy: -112.190
flat angles C4'-P-C4' energy: -135.711
flat angles P-C4'-P energy: -93.278
tors. eta vs tors. theta energy: -168.487
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: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1842.298101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.298101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.298101 (E_RNA)
where:
Base-Base interactions energy: -1280.652
where: short stacking energy: -540.704
Base-Backbone interact. energy: -2.662
local terms energy: -558.984153
where:
bonds (distance) C4'-P energy: -107.962
bonds (distance) P-C4' energy: -106.459
flat angles C4'-P-C4' energy: -114.205
flat angles P-C4'-P energy: -74.563
tors. eta vs tors. theta energy: -155.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1713.861248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.861248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.861248 (E_RNA)
where:
Base-Base interactions energy: -1167.145
where: short stacking energy: -498.061
Base-Backbone interact. energy: -1.296
local terms energy: -545.420053
where:
bonds (distance) C4'-P energy: -99.458
bonds (distance) P-C4' energy: -111.208
flat angles C4'-P-C4' energy: -113.854
flat angles P-C4'-P energy: -71.760
tors. eta vs tors. theta energy: -149.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1435.863046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.863046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.863046 (E_RNA)
where:
Base-Base interactions energy: -920.652
where: short stacking energy: -385.130
Base-Backbone interact. energy: -2.462
local terms energy: -512.749355
where:
bonds (distance) C4'-P energy: -112.283
bonds (distance) P-C4' energy: -110.817
flat angles C4'-P-C4' energy: -108.238
flat angles P-C4'-P energy: -77.942
tors. eta vs tors. theta energy: -103.469
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: 233
Temperature: 1.200000
Total energy: -1227.844271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.844271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.844271 (E_RNA)
where:
Base-Base interactions energy: -770.636
where: short stacking energy: -343.836
Base-Backbone interact. energy: -2.207
local terms energy: -455.001574
where:
bonds (distance) C4'-P energy: -97.494
bonds (distance) P-C4' energy: -97.721
flat angles C4'-P-C4' energy: -118.251
flat angles P-C4'-P energy: -61.763
tors. eta vs tors. theta energy: -79.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -875.058861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.058861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.058861 (E_RNA)
where:
Base-Base interactions energy: -496.863
where: short stacking energy: -254.090
Base-Backbone interact. energy: 1.502
local terms energy: -379.698371
where:
bonds (distance) C4'-P energy: -81.727
bonds (distance) P-C4' energy: -98.055
flat angles C4'-P-C4' energy: -99.239
flat angles P-C4'-P energy: -78.579
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -690.848646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.848646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.848646 (E_RNA)
where:
Base-Base interactions energy: -328.179
where: short stacking energy: -182.852
Base-Backbone interact. energy: -2.568
local terms energy: -360.101642
where:
bonds (distance) C4'-P energy: -103.515
bonds (distance) P-C4' energy: -109.921
flat angles C4'-P-C4' energy: -91.729
flat angles P-C4'-P energy: -46.114
tors. eta vs tors. theta energy: -8.822
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: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -472.280986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.280986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.280986 (E_RNA)
where:
Base-Base interactions energy: -182.594
where: short stacking energy: -136.855
Base-Backbone interact. energy: 1.836
local terms energy: -291.522834
where:
bonds (distance) C4'-P energy: -90.657
bonds (distance) P-C4' energy: -97.244
flat angles C4'-P-C4' energy: -85.604
flat angles P-C4'-P energy: -40.582
tors. eta vs tors. theta energy: 22.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -2050.524899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.524899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.524899 (E_RNA)
where:
Base-Base interactions energy: -1423.562
where: short stacking energy: -605.422
Base-Backbone interact. energy: -2.168
local terms energy: -624.794163
where:
bonds (distance) C4'-P energy: -119.041
bonds (distance) P-C4' energy: -115.161
flat angles C4'-P-C4' energy: -123.970
flat angles P-C4'-P energy: -86.288
tors. eta vs tors. theta energy: -180.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1982.912896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.912896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.912896 (E_RNA)
where:
Base-Base interactions energy: -1366.362
where: short stacking energy: -567.298
Base-Backbone interact. energy: -4.569
local terms energy: -611.982218
where:
bonds (distance) C4'-P energy: -117.010
bonds (distance) P-C4' energy: -108.044
flat angles C4'-P-C4' energy: -131.670
flat angles P-C4'-P energy: -86.403
tors. eta vs tors. theta energy: -168.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1949.656657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.656657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.656657 (E_RNA)
where:
Base-Base interactions energy: -1341.451
where: short stacking energy: -554.366
Base-Backbone interact. energy: -1.258
local terms energy: -606.947381
where:
bonds (distance) C4'-P energy: -116.028
bonds (distance) P-C4' energy: -107.897
flat angles C4'-P-C4' energy: -137.737
flat angles P-C4'-P energy: -88.573
tors. eta vs tors. theta energy: -156.712
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: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1854.761488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.761488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.761488 (E_RNA)
where:
Base-Base interactions energy: -1275.994
where: short stacking energy: -544.796
Base-Backbone interact. energy: -1.913
local terms energy: -576.854603
where:
bonds (distance) C4'-P energy: -98.665
bonds (distance) P-C4' energy: -115.164
flat angles C4'-P-C4' energy: -129.505
flat angles P-C4'-P energy: -72.810
tors. eta vs tors. theta energy: -160.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1740.638333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.638333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.638333 (E_RNA)
where:
Base-Base interactions energy: -1178.494
where: short stacking energy: -507.753
Base-Backbone interact. energy: -1.425
local terms energy: -560.719271
where:
bonds (distance) C4'-P energy: -98.527
bonds (distance) P-C4' energy: -101.314
flat angles C4'-P-C4' energy: -134.979
flat angles P-C4'-P energy: -74.352
tors. eta vs tors. theta energy: -151.547
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: 3
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1446.608331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.608331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.608331 (E_RNA)
where:
Base-Base interactions energy: -947.469
where: short stacking energy: -423.141
Base-Backbone interact. energy: -5.830
local terms energy: -493.310095
where:
bonds (distance) C4'-P energy: -102.936
bonds (distance) P-C4' energy: -103.232
flat angles C4'-P-C4' energy: -110.536
flat angles P-C4'-P energy: -75.975
tors. eta vs tors. theta energy: -100.631
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: 7, replica: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1252.468758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.468758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.468758 (E_RNA)
where:
Base-Base interactions energy: -788.759
where: short stacking energy: -353.285
Base-Backbone interact. energy: -5.588
local terms energy: -458.121772
where:
bonds (distance) C4'-P energy: -94.608
bonds (distance) P-C4' energy: -111.008
flat angles C4'-P-C4' energy: -114.454
flat angles P-C4'-P energy: -75.420
tors. eta vs tors. theta energy: -62.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -848.113676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.113676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.113676 (E_RNA)
where:
Base-Base interactions energy: -468.765
where: short stacking energy: -243.219
Base-Backbone interact. energy: -0.484
local terms energy: -378.864828
where:
bonds (distance) C4'-P energy: -101.002
bonds (distance) P-C4' energy: -101.935
flat angles C4'-P-C4' energy: -91.023
flat angles P-C4'-P energy: -58.236
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: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -662.993331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.993331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.993331 (E_RNA)
where:
Base-Base interactions energy: -339.928
where: short stacking energy: -201.569
Base-Backbone interact. energy: -3.551
local terms energy: -319.514683
where:
bonds (distance) C4'-P energy: -93.274
bonds (distance) P-C4' energy: -93.932
flat angles C4'-P-C4' energy: -73.215
flat angles P-C4'-P energy: -55.518
tors. eta vs tors. theta energy: -3.576
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: 10, replica: 2
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -481.362550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.362550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.362550 (E_RNA)
where:
Base-Base interactions energy: -180.522
where: short stacking energy: -119.999
Base-Backbone interact. energy: 3.995
local terms energy: -304.835957
where:
bonds (distance) C4'-P energy: -106.569
bonds (distance) P-C4' energy: -81.723
flat angles C4'-P-C4' energy: -67.197
flat angles P-C4'-P energy: -67.320
tors. eta vs tors. theta energy: 17.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -2040.188522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2040.188522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2040.188522 (E_RNA)
where:
Base-Base interactions energy: -1423.402
where: short stacking energy: -597.074
Base-Backbone interact. energy: -3.925
local terms energy: -612.861564
where:
bonds (distance) C4'-P energy: -96.495
bonds (distance) P-C4' energy: -118.166
flat angles C4'-P-C4' energy: -125.531
flat angles P-C4'-P energy: -99.415
tors. eta vs tors. theta energy: -173.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1944.227332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.227332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.227332 (E_RNA)
where:
Base-Base interactions energy: -1345.849
where: short stacking energy: -574.899
Base-Backbone interact. energy: -1.660
local terms energy: -596.717950
where:
bonds (distance) C4'-P energy: -112.722
bonds (distance) P-C4' energy: -95.778
flat angles C4'-P-C4' energy: -138.485
flat angles P-C4'-P energy: -80.613
tors. eta vs tors. theta energy: -169.119
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: 235
Temperature: 1.000000
Total energy: -1928.733886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.733886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.733886 (E_RNA)
where:
Base-Base interactions energy: -1333.869
where: short stacking energy: -557.279
Base-Backbone interact. energy: -5.946
local terms energy: -588.918884
where:
bonds (distance) C4'-P energy: -113.192
bonds (distance) P-C4' energy: -110.759
flat angles C4'-P-C4' energy: -122.395
flat angles P-C4'-P energy: -89.761
tors. eta vs tors. theta energy: -152.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1894.395466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.395466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.395466 (E_RNA)
where:
Base-Base interactions energy: -1292.045
where: short stacking energy: -545.381
Base-Backbone interact. energy: -3.848
local terms energy: -598.502670
where:
bonds (distance) C4'-P energy: -91.343
bonds (distance) P-C4' energy: -120.033
flat angles C4'-P-C4' energy: -132.915
flat angles P-C4'-P energy: -84.065
tors. eta vs tors. theta energy: -170.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1709.065919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.065919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.065919 (E_RNA)
where:
Base-Base interactions energy: -1169.821
where: short stacking energy: -511.033
Base-Backbone interact. energy: 1.572
local terms energy: -540.817217
where:
bonds (distance) C4'-P energy: -108.655
bonds (distance) P-C4' energy: -95.347
flat angles C4'-P-C4' energy: -116.909
flat angles P-C4'-P energy: -67.735
tors. eta vs tors. theta energy: -152.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1426.793405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.793405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.793405 (E_RNA)
where:
Base-Base interactions energy: -942.438
where: short stacking energy: -412.061
Base-Backbone interact. energy: -0.564
local terms energy: -483.791270
where:
bonds (distance) C4'-P energy: -93.510
bonds (distance) P-C4' energy: -108.623
flat angles C4'-P-C4' energy: -109.217
flat angles P-C4'-P energy: -56.694
tors. eta vs tors. theta energy: -115.746
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: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1211.431114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.431114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.431114 (E_RNA)
where:
Base-Base interactions energy: -760.077
where: short stacking energy: -353.832
Base-Backbone interact. energy: -0.060
local terms energy: -451.293803
where:
bonds (distance) C4'-P energy: -101.141
bonds (distance) P-C4' energy: -113.332
flat angles C4'-P-C4' energy: -114.211
flat angles P-C4'-P energy: -55.820
tors. eta vs tors. theta energy: -66.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -906.125854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.125854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.125854 (E_RNA)
where:
Base-Base interactions energy: -512.255
where: short stacking energy: -242.087
Base-Backbone interact. energy: 3.727
local terms energy: -397.597633
where:
bonds (distance) C4'-P energy: -108.049
bonds (distance) P-C4' energy: -97.183
flat angles C4'-P-C4' energy: -95.406
flat angles P-C4'-P energy: -66.745
tors. eta vs tors. theta energy: -30.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -670.738579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.738579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.738579 (E_RNA)
where:
Base-Base interactions energy: -349.758
where: short stacking energy: -192.361
Base-Backbone interact. energy: 3.849
local terms energy: -324.829371
where:
bonds (distance) C4'-P energy: -96.579
bonds (distance) P-C4' energy: -98.476
flat angles C4'-P-C4' energy: -74.141
flat angles P-C4'-P energy: -45.850
tors. eta vs tors. theta energy: -9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -444.053808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.053808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.053808 (E_RNA)
where:
Base-Base interactions energy: -147.523
where: short stacking energy: -128.737
Base-Backbone interact. energy: -3.179
local terms energy: -293.351114
where:
bonds (distance) C4'-P energy: -86.720
bonds (distance) P-C4' energy: -89.251
flat angles C4'-P-C4' energy: -85.052
flat angles P-C4'-P energy: -42.529
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: 1, replica: 8
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -2061.909079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.909079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.909079 (E_RNA)
where:
Base-Base interactions energy: -1440.732
where: short stacking energy: -600.525
Base-Backbone interact. energy: 0.056
local terms energy: -621.232978
where:
bonds (distance) C4'-P energy: -102.329
bonds (distance) P-C4' energy: -123.776
flat angles C4'-P-C4' energy: -139.459
flat angles P-C4'-P energy: -86.921
tors. eta vs tors. theta energy: -168.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1983.979947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.979947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.979947 (E_RNA)
where:
Base-Base interactions energy: -1378.952
where: short stacking energy: -585.750
Base-Backbone interact. energy: -7.857
local terms energy: -597.170956
where:
bonds (distance) C4'-P energy: -107.768
bonds (distance) P-C4' energy: -115.190
flat angles C4'-P-C4' energy: -127.232
flat angles P-C4'-P energy: -82.261
tors. eta vs tors. theta energy: -164.721
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: 5
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -1919.292922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.292922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.292922 (E_RNA)
where:
Base-Base interactions energy: -1337.981
where: short stacking energy: -571.202
Base-Backbone interact. energy: -1.068
local terms energy: -580.243983
where:
bonds (distance) C4'-P energy: -99.217
bonds (distance) P-C4' energy: -112.971
flat angles C4'-P-C4' energy: -125.670
flat angles P-C4'-P energy: -79.955
tors. eta vs tors. theta energy: -162.432
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: 9
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1855.918775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.918775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.918775 (E_RNA)
where:
Base-Base interactions energy: -1303.592
where: short stacking energy: -532.616
Base-Backbone interact. energy: -2.420
local terms energy: -549.907205
where:
bonds (distance) C4'-P energy: -95.560
bonds (distance) P-C4' energy: -95.896
flat angles C4'-P-C4' energy: -125.974
flat angles P-C4'-P energy: -70.371
tors. eta vs tors. theta energy: -162.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1754.404547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.404547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.404547 (E_RNA)
where:
Base-Base interactions energy: -1198.536
where: short stacking energy: -488.205
Base-Backbone interact. energy: -3.831
local terms energy: -552.038146
where:
bonds (distance) C4'-P energy: -91.063
bonds (distance) P-C4' energy: -108.894
flat angles C4'-P-C4' energy: -122.927
flat angles P-C4'-P energy: -82.844
tors. eta vs tors. theta energy: -146.310
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: 3
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1405.027471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.027471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.027471 (E_RNA)
where:
Base-Base interactions energy: -937.724
where: short stacking energy: -408.373
Base-Backbone interact. energy: 1.897
local terms energy: -469.200440
where:
bonds (distance) C4'-P energy: -85.495
bonds (distance) P-C4' energy: -92.987
flat angles C4'-P-C4' energy: -127.881
flat angles P-C4'-P energy: -53.249
tors. eta vs tors. theta energy: -109.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1150.649258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.649258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.649258 (E_RNA)
where:
Base-Base interactions energy: -705.496
where: short stacking energy: -351.352
Base-Backbone interact. energy: -1.854
local terms energy: -443.299478
where:
bonds (distance) C4'-P energy: -103.399
bonds (distance) P-C4' energy: -95.975
flat angles C4'-P-C4' energy: -103.437
flat angles P-C4'-P energy: -61.746
tors. eta vs tors. theta energy: -78.742
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: 4
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -909.715447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.715447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.715447 (E_RNA)
where:
Base-Base interactions energy: -507.626
where: short stacking energy: -275.133
Base-Backbone interact. energy: -1.140
local terms energy: -400.949483
where:
bonds (distance) C4'-P energy: -107.435
bonds (distance) P-C4' energy: -94.588
flat angles C4'-P-C4' energy: -98.597
flat angles P-C4'-P energy: -57.349
tors. eta vs tors. theta energy: -42.981
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: 9, replica: 10
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -721.772512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.772512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.772512 (E_RNA)
where:
Base-Base interactions energy: -364.379
where: short stacking energy: -196.662
Base-Backbone interact. energy: 7.433
local terms energy: -364.826948
where:
bonds (distance) C4'-P energy: -89.709
bonds (distance) P-C4' energy: -113.202
flat angles C4'-P-C4' energy: -86.742
flat angles P-C4'-P energy: -60.173
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -437.305406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.305406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.305406 (E_RNA)
where:
Base-Base interactions energy: -143.183
where: short stacking energy: -126.863
Base-Backbone interact. energy: 1.304
local terms energy: -295.425868
where:
bonds (distance) C4'-P energy: -91.677
bonds (distance) P-C4' energy: -97.556
flat angles C4'-P-C4' energy: -82.313
flat angles P-C4'-P energy: -38.151
tors. eta vs tors. theta energy: 14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -2069.603705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.603705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.603705 (E_RNA)
where:
Base-Base interactions energy: -1445.520
where: short stacking energy: -611.996
Base-Backbone interact. energy: 1.546
local terms energy: -625.629919
where:
bonds (distance) C4'-P energy: -111.739
bonds (distance) P-C4' energy: -119.213
flat angles C4'-P-C4' energy: -130.941
flat angles P-C4'-P energy: -85.745
tors. eta vs tors. theta energy: -177.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -2004.149961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.149961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.149961 (E_RNA)
where:
Base-Base interactions energy: -1386.775
where: short stacking energy: -591.246
Base-Backbone interact. energy: -3.225
local terms energy: -614.149547
where:
bonds (distance) C4'-P energy: -113.797
bonds (distance) P-C4' energy: -106.419
flat angles C4'-P-C4' energy: -133.158
flat angles P-C4'-P energy: -84.981
tors. eta vs tors. theta energy: -175.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1933.430956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.430956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.430956 (E_RNA)
where:
Base-Base interactions energy: -1349.789
where: short stacking energy: -568.028
Base-Backbone interact. energy: -2.426
local terms energy: -581.215416
where:
bonds (distance) C4'-P energy: -100.407
bonds (distance) P-C4' energy: -116.806
flat angles C4'-P-C4' energy: -116.799
flat angles P-C4'-P energy: -80.868
tors. eta vs tors. theta energy: -166.336
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: 9
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1823.338784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.338784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.338784 (E_RNA)
where:
Base-Base interactions energy: -1257.148
where: short stacking energy: -557.584
Base-Backbone interact. energy: -0.703
local terms energy: -565.487094
where:
bonds (distance) C4'-P energy: -98.104
bonds (distance) P-C4' energy: -111.267
flat angles C4'-P-C4' energy: -123.933
flat angles P-C4'-P energy: -73.390
tors. eta vs tors. theta energy: -158.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1721.805142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.805142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.805142 (E_RNA)
where:
Base-Base interactions energy: -1173.198
where: short stacking energy: -478.910
Base-Backbone interact. energy: -1.021
local terms energy: -547.585998
where:
bonds (distance) C4'-P energy: -116.777
bonds (distance) P-C4' energy: -93.014
flat angles C4'-P-C4' energy: -131.808
flat angles P-C4'-P energy: -69.000
tors. eta vs tors. theta energy: -136.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1403.700610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.700610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.700610 (E_RNA)
where:
Base-Base interactions energy: -931.028
where: short stacking energy: -392.140
Base-Backbone interact. energy: -5.092
local terms energy: -467.581084
where:
bonds (distance) C4'-P energy: -103.740
bonds (distance) P-C4' energy: -100.808
flat angles C4'-P-C4' energy: -110.944
flat angles P-C4'-P energy: -61.620
tors. eta vs tors. theta energy: -90.469
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: 237
Temperature: 1.200000
Total energy: -1138.822795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.822795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.822795 (E_RNA)
where:
Base-Base interactions energy: -715.508
where: short stacking energy: -336.057
Base-Backbone interact. energy: -2.253
local terms energy: -421.062519
where:
bonds (distance) C4'-P energy: -97.454
bonds (distance) P-C4' energy: -102.102
flat angles C4'-P-C4' energy: -94.024
flat angles P-C4'-P energy: -61.261
tors. eta vs tors. theta energy: -66.221
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: 4
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -875.980447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.980447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.980447 (E_RNA)
where:
Base-Base interactions energy: -507.998
where: short stacking energy: -261.238
Base-Backbone interact. energy: -1.982
local terms energy: -366.000124
where:
bonds (distance) C4'-P energy: -89.378
bonds (distance) P-C4' energy: -81.735
flat angles C4'-P-C4' energy: -97.437
flat angles P-C4'-P energy: -71.506
tors. eta vs tors. theta energy: -25.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -695.958975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.958975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.958975 (E_RNA)
where:
Base-Base interactions energy: -347.357
where: short stacking energy: -193.304
Base-Backbone interact. energy: 1.194
local terms energy: -349.796179
where:
bonds (distance) C4'-P energy: -94.710
bonds (distance) P-C4' energy: -112.206
flat angles C4'-P-C4' energy: -88.022
flat angles P-C4'-P energy: -44.675
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -441.350902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.350902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.350902 (E_RNA)
where:
Base-Base interactions energy: -141.919
where: short stacking energy: -121.473
Base-Backbone interact. energy: 0.809
local terms energy: -300.240214
where:
bonds (distance) C4'-P energy: -100.673
bonds (distance) P-C4' energy: -84.419
flat angles C4'-P-C4' energy: -88.208
flat angles P-C4'-P energy: -50.498
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: 1, replica: 8
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -2057.115238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.115238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.115238 (E_RNA)
where:
Base-Base interactions energy: -1446.110
where: short stacking energy: -602.057
Base-Backbone interact. energy: 4.752
local terms energy: -615.757128
where:
bonds (distance) C4'-P energy: -111.092
bonds (distance) P-C4' energy: -116.558
flat angles C4'-P-C4' energy: -127.127
flat angles P-C4'-P energy: -82.281
tors. eta vs tors. theta energy: -178.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1978.674055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.674055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.674055 (E_RNA)
where:
Base-Base interactions energy: -1366.557
where: short stacking energy: -575.282
Base-Backbone interact. energy: -1.215
local terms energy: -610.902035
where:
bonds (distance) C4'-P energy: -109.014
bonds (distance) P-C4' energy: -111.718
flat angles C4'-P-C4' energy: -124.488
flat angles P-C4'-P energy: -95.230
tors. eta vs tors. theta energy: -170.452
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: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1912.297860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.297860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.297860 (E_RNA)
where:
Base-Base interactions energy: -1311.138
where: short stacking energy: -544.784
Base-Backbone interact. energy: -3.229
local terms energy: -597.930427
where:
bonds (distance) C4'-P energy: -109.578
bonds (distance) P-C4' energy: -115.283
flat angles C4'-P-C4' energy: -130.516
flat angles P-C4'-P energy: -79.420
tors. eta vs tors. theta energy: -163.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1869.025074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.025074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.025074 (E_RNA)
where:
Base-Base interactions energy: -1294.911
where: short stacking energy: -536.597
Base-Backbone interact. energy: 2.573
local terms energy: -576.687512
where:
bonds (distance) C4'-P energy: -107.515
bonds (distance) P-C4' energy: -107.859
flat angles C4'-P-C4' energy: -119.768
flat angles P-C4'-P energy: -86.345
tors. eta vs tors. theta energy: -155.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1758.843161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.843161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.843161 (E_RNA)
where:
Base-Base interactions energy: -1172.274
where: short stacking energy: -489.250
Base-Backbone interact. energy: -3.177
local terms energy: -583.392343
where:
bonds (distance) C4'-P energy: -109.538
bonds (distance) P-C4' energy: -113.861
flat angles C4'-P-C4' energy: -120.209
flat angles P-C4'-P energy: -77.879
tors. eta vs tors. theta energy: -161.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1396.520665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.520665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.520665 (E_RNA)
where:
Base-Base interactions energy: -908.235
where: short stacking energy: -392.558
Base-Backbone interact. energy: 1.539
local terms energy: -489.825268
where:
bonds (distance) C4'-P energy: -107.124
bonds (distance) P-C4' energy: -105.906
flat angles C4'-P-C4' energy: -115.375
flat angles P-C4'-P energy: -62.734
tors. eta vs tors. theta energy: -98.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1167.271388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.271388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.271388 (E_RNA)
where:
Base-Base interactions energy: -747.207
where: short stacking energy: -339.915
Base-Backbone interact. energy: 0.227
local terms energy: -420.291307
where:
bonds (distance) C4'-P energy: -90.066
bonds (distance) P-C4' energy: -105.574
flat angles C4'-P-C4' energy: -97.397
flat angles P-C4'-P energy: -63.212
tors. eta vs tors. theta energy: -64.043
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: 238
Temperature: 1.250000
Total energy: -846.170200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.170200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.170200 (E_RNA)
where:
Base-Base interactions energy: -487.852
where: short stacking energy: -233.947
Base-Backbone interact. energy: 0.350
local terms energy: -358.668445
where:
bonds (distance) C4'-P energy: -88.959
bonds (distance) P-C4' energy: -104.990
flat angles C4'-P-C4' energy: -79.784
flat angles P-C4'-P energy: -64.198
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -690.374871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.374871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.374871 (E_RNA)
where:
Base-Base interactions energy: -324.922
where: short stacking energy: -180.091
Base-Backbone interact. energy: 1.510
local terms energy: -366.962821
where:
bonds (distance) C4'-P energy: -96.211
bonds (distance) P-C4' energy: -120.220
flat angles C4'-P-C4' energy: -79.130
flat angles P-C4'-P energy: -61.528
tors. eta vs tors. theta energy: -9.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -492.092116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.092116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.092116 (E_RNA)
where:
Base-Base interactions energy: -195.034
where: short stacking energy: -145.020
Base-Backbone interact. energy: 2.138
local terms energy: -299.196869
where:
bonds (distance) C4'-P energy: -84.342
bonds (distance) P-C4' energy: -97.248
flat angles C4'-P-C4' energy: -77.886
flat angles P-C4'-P energy: -61.534
tors. eta vs tors. theta energy: 21.814
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: 1, replica: 8
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -2048.997421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.997421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.997421 (E_RNA)
where:
Base-Base interactions energy: -1433.092
where: short stacking energy: -598.151
Base-Backbone interact. energy: 2.837
local terms energy: -618.742619
where:
bonds (distance) C4'-P energy: -113.005
bonds (distance) P-C4' energy: -128.882
flat angles C4'-P-C4' energy: -124.414
flat angles P-C4'-P energy: -75.974
tors. eta vs tors. theta energy: -176.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1962.830903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.830903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.830903 (E_RNA)
where:
Base-Base interactions energy: -1381.701
where: short stacking energy: -574.760
Base-Backbone interact. energy: -2.108
local terms energy: -579.022379
where:
bonds (distance) C4'-P energy: -110.515
bonds (distance) P-C4' energy: -112.732
flat angles C4'-P-C4' energy: -116.043
flat angles P-C4'-P energy: -73.181
tors. eta vs tors. theta energy: -166.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1894.064816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.064816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.064816 (E_RNA)
where:
Base-Base interactions energy: -1286.657
where: short stacking energy: -540.770
Base-Backbone interact. energy: -3.314
local terms energy: -604.093977
where:
bonds (distance) C4'-P energy: -106.481
bonds (distance) P-C4' energy: -113.786
flat angles C4'-P-C4' energy: -125.586
flat angles P-C4'-P energy: -94.061
tors. eta vs tors. theta energy: -164.181
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: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1895.090579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.090579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.090579 (E_RNA)
where:
Base-Base interactions energy: -1325.498
where: short stacking energy: -559.115
Base-Backbone interact. energy: 1.965
local terms energy: -571.558095
where:
bonds (distance) C4'-P energy: -96.270
bonds (distance) P-C4' energy: -104.946
flat angles C4'-P-C4' energy: -122.657
flat angles P-C4'-P energy: -88.974
tors. eta vs tors. theta energy: -158.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1754.128883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.128883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.128883 (E_RNA)
where:
Base-Base interactions energy: -1210.506
where: short stacking energy: -515.619
Base-Backbone interact. energy: -3.551
local terms energy: -540.072116
where:
bonds (distance) C4'-P energy: -108.578
bonds (distance) P-C4' energy: -107.813
flat angles C4'-P-C4' energy: -112.147
flat angles P-C4'-P energy: -65.750
tors. eta vs tors. theta energy: -145.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1346.784477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.784477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.784477 (E_RNA)
where:
Base-Base interactions energy: -872.711
where: short stacking energy: -395.336
Base-Backbone interact. energy: 2.455
local terms energy: -476.528948
where:
bonds (distance) C4'-P energy: -92.686
bonds (distance) P-C4' energy: -108.521
flat angles C4'-P-C4' energy: -101.671
flat angles P-C4'-P energy: -64.853
tors. eta vs tors. theta energy: -108.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1184.614340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.614340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.614340 (E_RNA)
where:
Base-Base interactions energy: -742.165
where: short stacking energy: -373.451
Base-Backbone interact. energy: -1.222
local terms energy: -441.227117
where:
bonds (distance) C4'-P energy: -92.066
bonds (distance) P-C4' energy: -105.250
flat angles C4'-P-C4' energy: -102.297
flat angles P-C4'-P energy: -48.375
tors. eta vs tors. theta energy: -93.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -892.870267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.870267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.870267 (E_RNA)
where:
Base-Base interactions energy: -483.975
where: short stacking energy: -249.372
Base-Backbone interact. energy: 3.096
local terms energy: -411.992039
where:
bonds (distance) C4'-P energy: -111.510
bonds (distance) P-C4' energy: -106.064
flat angles C4'-P-C4' energy: -95.299
flat angles P-C4'-P energy: -64.756
tors. eta vs tors. theta energy: -34.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -655.157507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.157507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.157507 (E_RNA)
where:
Base-Base interactions energy: -322.391
where: short stacking energy: -195.102
Base-Backbone interact. energy: 1.637
local terms energy: -334.403192
where:
bonds (distance) C4'-P energy: -100.781
bonds (distance) P-C4' energy: -101.968
flat angles C4'-P-C4' energy: -85.614
flat angles P-C4'-P energy: -42.139
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -452.832523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.832523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.832523 (E_RNA)
where:
Base-Base interactions energy: -165.735
where: short stacking energy: -106.645
Base-Backbone interact. energy: 2.574
local terms energy: -289.671463
where:
bonds (distance) C4'-P energy: -86.067
bonds (distance) P-C4' energy: -102.109
flat angles C4'-P-C4' energy: -78.051
flat angles P-C4'-P energy: -51.267
tors. eta vs tors. theta energy: 27.822
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: 8
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -2100.508982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.508982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.508982 (E_RNA)
where:
Base-Base interactions energy: -1466.164
where: short stacking energy: -614.071
Base-Backbone interact. energy: -5.049
local terms energy: -629.295675
where:
bonds (distance) C4'-P energy: -117.539
bonds (distance) P-C4' energy: -120.623
flat angles C4'-P-C4' energy: -132.128
flat angles P-C4'-P energy: -79.650
tors. eta vs tors. theta energy: -179.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -2010.739874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.739874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.739874 (E_RNA)
where:
Base-Base interactions energy: -1421.197
where: short stacking energy: -571.675
Base-Backbone interact. energy: 1.513
local terms energy: -591.056432
where:
bonds (distance) C4'-P energy: -116.851
bonds (distance) P-C4' energy: -102.405
flat angles C4'-P-C4' energy: -137.135
flat angles P-C4'-P energy: -81.671
tors. eta vs tors. theta energy: -152.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1938.310694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.310694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.310694 (E_RNA)
where:
Base-Base interactions energy: -1353.233
where: short stacking energy: -564.095
Base-Backbone interact. energy: 3.489
local terms energy: -588.566785
where:
bonds (distance) C4'-P energy: -108.744
bonds (distance) P-C4' energy: -102.522
flat angles C4'-P-C4' energy: -129.421
flat angles P-C4'-P energy: -81.746
tors. eta vs tors. theta energy: -166.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1845.951136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.951136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.951136 (E_RNA)
where:
Base-Base interactions energy: -1279.570
where: short stacking energy: -533.533
Base-Backbone interact. energy: -2.471
local terms energy: -563.909679
where:
bonds (distance) C4'-P energy: -105.608
bonds (distance) P-C4' energy: -98.572
flat angles C4'-P-C4' energy: -133.371
flat angles P-C4'-P energy: -79.895
tors. eta vs tors. theta energy: -146.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1704.710705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.710705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.710705 (E_RNA)
where:
Base-Base interactions energy: -1164.643
where: short stacking energy: -524.019
Base-Backbone interact. energy: -3.631
local terms energy: -536.436980
where:
bonds (distance) C4'-P energy: -96.858
bonds (distance) P-C4' energy: -105.355
flat angles C4'-P-C4' energy: -106.170
flat angles P-C4'-P energy: -78.710
tors. eta vs tors. theta energy: -149.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1358.574203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.574203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.574203 (E_RNA)
where:
Base-Base interactions energy: -892.755
where: short stacking energy: -366.817
Base-Backbone interact. energy: -2.160
local terms energy: -463.659249
where:
bonds (distance) C4'-P energy: -98.199
bonds (distance) P-C4' energy: -105.235
flat angles C4'-P-C4' energy: -101.065
flat angles P-C4'-P energy: -68.727
tors. eta vs tors. theta energy: -90.433
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: 1
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1254.784402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.784402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.784402 (E_RNA)
where:
Base-Base interactions energy: -777.883
where: short stacking energy: -347.298
Base-Backbone interact. energy: -2.714
local terms energy: -474.186871
where:
bonds (distance) C4'-P energy: -112.280
bonds (distance) P-C4' energy: -108.381
flat angles C4'-P-C4' energy: -111.882
flat angles P-C4'-P energy: -67.216
tors. eta vs tors. theta energy: -74.428
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: 4
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -947.057546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.057546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.057546 (E_RNA)
where:
Base-Base interactions energy: -527.407
where: short stacking energy: -237.418
Base-Backbone interact. energy: -0.541
local terms energy: -419.109727
where:
bonds (distance) C4'-P energy: -111.699
bonds (distance) P-C4' energy: -109.984
flat angles C4'-P-C4' energy: -93.837
flat angles P-C4'-P energy: -57.760
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: 9, replica: 10
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -704.138513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.138513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.138513 (E_RNA)
where:
Base-Base interactions energy: -352.814
where: short stacking energy: -228.217
Base-Backbone interact. energy: -0.770
local terms energy: -350.554461
where:
bonds (distance) C4'-P energy: -90.569
bonds (distance) P-C4' energy: -106.881
flat angles C4'-P-C4' energy: -82.783
flat angles P-C4'-P energy: -41.715
tors. eta vs tors. theta energy: -28.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -431.188884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.188884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.188884 (E_RNA)
where:
Base-Base interactions energy: -158.576
where: short stacking energy: -137.527
Base-Backbone interact. energy: -0.070
local terms energy: -272.543425
where:
bonds (distance) C4'-P energy: -89.979
bonds (distance) P-C4' energy: -100.846
flat angles C4'-P-C4' energy: -71.043
flat angles P-C4'-P energy: -40.625
tors. eta vs tors. theta energy: 29.950
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: 1, replica: 8
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -2054.524271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.524271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.524271 (E_RNA)
where:
Base-Base interactions energy: -1441.546
where: short stacking energy: -594.435
Base-Backbone interact. energy: -3.196
local terms energy: -609.781457
where:
bonds (distance) C4'-P energy: -100.554
bonds (distance) P-C4' energy: -122.590
flat angles C4'-P-C4' energy: -138.439
flat angles P-C4'-P energy: -81.243
tors. eta vs tors. theta energy: -166.956
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: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -2016.520279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2016.520279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2016.520279 (E_RNA)
where:
Base-Base interactions energy: -1421.796
where: short stacking energy: -583.938
Base-Backbone interact. energy: -0.991
local terms energy: -593.733936
where:
bonds (distance) C4'-P energy: -108.603
bonds (distance) P-C4' energy: -114.156
flat angles C4'-P-C4' energy: -109.428
flat angles P-C4'-P energy: -88.632
tors. eta vs tors. theta energy: -172.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1957.804852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.804852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.804852 (E_RNA)
where:
Base-Base interactions energy: -1368.047
where: short stacking energy: -585.277
Base-Backbone interact. energy: 0.003
local terms energy: -589.760720
where:
bonds (distance) C4'-P energy: -112.939
bonds (distance) P-C4' energy: -104.666
flat angles C4'-P-C4' energy: -125.693
flat angles P-C4'-P energy: -82.280
tors. eta vs tors. theta energy: -164.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1856.616799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.616799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.616799 (E_RNA)
where:
Base-Base interactions energy: -1291.415
where: short stacking energy: -535.998
Base-Backbone interact. energy: 2.178
local terms energy: -567.379375
where:
bonds (distance) C4'-P energy: -115.264
bonds (distance) P-C4' energy: -102.810
flat angles C4'-P-C4' energy: -114.882
flat angles P-C4'-P energy: -88.983
tors. eta vs tors. theta energy: -145.440
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: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1691.063775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.063775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.063775 (E_RNA)
where:
Base-Base interactions energy: -1163.623
where: short stacking energy: -485.570
Base-Backbone interact. energy: -2.822
local terms energy: -524.618511
where:
bonds (distance) C4'-P energy: -93.525
bonds (distance) P-C4' energy: -110.436
flat angles C4'-P-C4' energy: -114.178
flat angles P-C4'-P energy: -61.365
tors. eta vs tors. theta energy: -145.115
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: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1349.769192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.769192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.769192 (E_RNA)
where:
Base-Base interactions energy: -875.651
where: short stacking energy: -396.003
Base-Backbone interact. energy: 3.203
local terms energy: -477.321566
where:
bonds (distance) C4'-P energy: -89.961
bonds (distance) P-C4' energy: -102.583
flat angles C4'-P-C4' energy: -109.536
flat angles P-C4'-P energy: -77.268
tors. eta vs tors. theta energy: -97.973
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: 241
Temperature: 1.200000
Total energy: -1193.169821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.169821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.169821 (E_RNA)
where:
Base-Base interactions energy: -754.638
where: short stacking energy: -339.051
Base-Backbone interact. energy: 0.525
local terms energy: -439.056717
where:
bonds (distance) C4'-P energy: -106.756
bonds (distance) P-C4' energy: -104.124
flat angles C4'-P-C4' energy: -99.571
flat angles P-C4'-P energy: -60.487
tors. eta vs tors. theta energy: -68.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1009.931688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.931688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.931688 (E_RNA)
where:
Base-Base interactions energy: -641.393
where: short stacking energy: -304.551
Base-Backbone interact. energy: 5.893
local terms energy: -374.431647
where:
bonds (distance) C4'-P energy: -72.528
bonds (distance) P-C4' energy: -101.190
flat angles C4'-P-C4' energy: -109.229
flat angles P-C4'-P energy: -44.995
tors. eta vs tors. theta energy: -46.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -762.282320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.282320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.282320 (E_RNA)
where:
Base-Base interactions energy: -412.776
where: short stacking energy: -200.602
Base-Backbone interact. energy: -2.188
local terms energy: -347.318099
where:
bonds (distance) C4'-P energy: -99.167
bonds (distance) P-C4' energy: -90.217
flat angles C4'-P-C4' energy: -101.370
flat angles P-C4'-P energy: -44.042
tors. eta vs tors. theta energy: -12.522
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: 2
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -473.477786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.477786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.477786 (E_RNA)
where:
Base-Base interactions energy: -159.899
where: short stacking energy: -116.574
Base-Backbone interact. energy: 2.322
local terms energy: -315.900856
where:
bonds (distance) C4'-P energy: -92.883
bonds (distance) P-C4' energy: -105.072
flat angles C4'-P-C4' energy: -83.119
flat angles P-C4'-P energy: -44.611
tors. eta vs tors. theta energy: 9.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -2061.762609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2061.762609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2061.762609 (E_RNA)
where:
Base-Base interactions energy: -1434.915
where: short stacking energy: -587.836
Base-Backbone interact. energy: -4.017
local terms energy: -622.829788
where:
bonds (distance) C4'-P energy: -115.918
bonds (distance) P-C4' energy: -124.038
flat angles C4'-P-C4' energy: -131.476
flat angles P-C4'-P energy: -78.781
tors. eta vs tors. theta energy: -172.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1988.835560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.835560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.835560 (E_RNA)
where:
Base-Base interactions energy: -1351.233
where: short stacking energy: -580.412
Base-Backbone interact. energy: -0.419
local terms energy: -637.183991
where:
bonds (distance) C4'-P energy: -120.381
bonds (distance) P-C4' energy: -116.796
flat angles C4'-P-C4' energy: -132.515
flat angles P-C4'-P energy: -91.125
tors. eta vs tors. theta energy: -176.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1935.804667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.804667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.804667 (E_RNA)
where:
Base-Base interactions energy: -1349.916
where: short stacking energy: -570.504
Base-Backbone interact. energy: 0.199
local terms energy: -586.087646
where:
bonds (distance) C4'-P energy: -114.715
bonds (distance) P-C4' energy: -100.573
flat angles C4'-P-C4' energy: -123.929
flat angles P-C4'-P energy: -81.036
tors. eta vs tors. theta energy: -165.834
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: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1843.967947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.967947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.967947 (E_RNA)
where:
Base-Base interactions energy: -1263.205
where: short stacking energy: -547.617
Base-Backbone interact. energy: -1.404
local terms energy: -579.358382
where:
bonds (distance) C4'-P energy: -110.790
bonds (distance) P-C4' energy: -98.767
flat angles C4'-P-C4' energy: -131.049
flat angles P-C4'-P energy: -91.107
tors. eta vs tors. theta energy: -147.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1722.420086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.420086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.420086 (E_RNA)
where:
Base-Base interactions energy: -1169.635
where: short stacking energy: -495.423
Base-Backbone interact. energy: -3.428
local terms energy: -549.357209
where:
bonds (distance) C4'-P energy: -88.868
bonds (distance) P-C4' energy: -116.912
flat angles C4'-P-C4' energy: -122.938
flat angles P-C4'-P energy: -78.922
tors. eta vs tors. theta energy: -141.718
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: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1394.796116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.796116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.796116 (E_RNA)
where:
Base-Base interactions energy: -902.646
where: short stacking energy: -360.102
Base-Backbone interact. energy: 1.564
local terms energy: -493.714522
where:
bonds (distance) C4'-P energy: -109.340
bonds (distance) P-C4' energy: -107.553
flat angles C4'-P-C4' energy: -100.324
flat angles P-C4'-P energy: -77.357
tors. eta vs tors. theta energy: -99.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1247.958960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.958960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.958960 (E_RNA)
where:
Base-Base interactions energy: -790.734
where: short stacking energy: -348.692
Base-Backbone interact. energy: 2.000
local terms energy: -459.225578
where:
bonds (distance) C4'-P energy: -97.163
bonds (distance) P-C4' energy: -109.561
flat angles C4'-P-C4' energy: -100.235
flat angles P-C4'-P energy: -74.569
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: 8, replica: 4
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1019.631736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.631736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.631736 (E_RNA)
where:
Base-Base interactions energy: -613.426
where: short stacking energy: -291.055
Base-Backbone interact. energy: -0.026
local terms energy: -406.179816
where:
bonds (distance) C4'-P energy: -103.308
bonds (distance) P-C4' energy: -93.790
flat angles C4'-P-C4' energy: -106.258
flat angles P-C4'-P energy: -58.997
tors. eta vs tors. theta energy: -43.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -735.287890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.287890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.287890 (E_RNA)
where:
Base-Base interactions energy: -392.582
where: short stacking energy: -211.013
Base-Backbone interact. energy: 0.552
local terms energy: -343.257804
where:
bonds (distance) C4'-P energy: -94.293
bonds (distance) P-C4' energy: -98.436
flat angles C4'-P-C4' energy: -92.079
flat angles P-C4'-P energy: -41.320
tors. eta vs tors. theta energy: -17.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -445.613113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.613113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.613113 (E_RNA)
where:
Base-Base interactions energy: -144.067
where: short stacking energy: -109.157
Base-Backbone interact. energy: 0.803
local terms energy: -302.349257
where:
bonds (distance) C4'-P energy: -80.410
bonds (distance) P-C4' energy: -113.824
flat angles C4'-P-C4' energy: -79.289
flat angles P-C4'-P energy: -59.153
tors. eta vs tors. theta energy: 30.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -2057.301237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.301237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.301237 (E_RNA)
where:
Base-Base interactions energy: -1438.983
where: short stacking energy: -613.189
Base-Backbone interact. energy: 0.789
local terms energy: -619.106666
where:
bonds (distance) C4'-P energy: -109.719
bonds (distance) P-C4' energy: -122.996
flat angles C4'-P-C4' energy: -130.820
flat angles P-C4'-P energy: -77.172
tors. eta vs tors. theta energy: -178.400
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: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -2035.222734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.222734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.222734 (E_RNA)
where:
Base-Base interactions energy: -1418.599
where: short stacking energy: -579.904
Base-Backbone interact. energy: -4.456
local terms energy: -612.167308
where:
bonds (distance) C4'-P energy: -108.308
bonds (distance) P-C4' energy: -104.341
flat angles C4'-P-C4' energy: -136.350
flat angles P-C4'-P energy: -88.645
tors. eta vs tors. theta energy: -174.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1969.774412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.774412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.774412 (E_RNA)
where:
Base-Base interactions energy: -1361.900
where: short stacking energy: -565.179
Base-Backbone interact. energy: -1.897
local terms energy: -605.977630
where:
bonds (distance) C4'-P energy: -104.691
bonds (distance) P-C4' energy: -107.617
flat angles C4'-P-C4' energy: -133.553
flat angles P-C4'-P energy: -79.131
tors. eta vs tors. theta energy: -180.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1873.066675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.066675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.066675 (E_RNA)
where:
Base-Base interactions energy: -1308.350
where: short stacking energy: -544.190
Base-Backbone interact. energy: -1.818
local terms energy: -562.898001
where:
bonds (distance) C4'-P energy: -110.745
bonds (distance) P-C4' energy: -100.696
flat angles C4'-P-C4' energy: -112.817
flat angles P-C4'-P energy: -72.974
tors. eta vs tors. theta energy: -165.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1738.220069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.220069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.220069 (E_RNA)
where:
Base-Base interactions energy: -1192.746
where: short stacking energy: -516.106
Base-Backbone interact. energy: -1.310
local terms energy: -544.164224
where:
bonds (distance) C4'-P energy: -90.670
bonds (distance) P-C4' energy: -105.449
flat angles C4'-P-C4' energy: -118.633
flat angles P-C4'-P energy: -69.181
tors. eta vs tors. theta energy: -160.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1429.978741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.978741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.978741 (E_RNA)
where:
Base-Base interactions energy: -942.576
where: short stacking energy: -399.204
Base-Backbone interact. energy: -2.135
local terms energy: -485.267768
where:
bonds (distance) C4'-P energy: -92.145
bonds (distance) P-C4' energy: -105.183
flat angles C4'-P-C4' energy: -101.834
flat angles P-C4'-P energy: -66.899
tors. eta vs tors. theta energy: -119.207
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: 243
Temperature: 1.200000
Total energy: -1197.895778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.895778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.895778 (E_RNA)
where:
Base-Base interactions energy: -760.938
where: short stacking energy: -318.774
Base-Backbone interact. energy: -3.263
local terms energy: -433.695206
where:
bonds (distance) C4'-P energy: -93.606
bonds (distance) P-C4' energy: -109.884
flat angles C4'-P-C4' energy: -97.594
flat angles P-C4'-P energy: -70.141
tors. eta vs tors. theta energy: -62.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1019.075942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.075942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.075942 (E_RNA)
where:
Base-Base interactions energy: -637.815
where: short stacking energy: -298.399
Base-Backbone interact. energy: -1.180
local terms energy: -380.081176
where:
bonds (distance) C4'-P energy: -86.006
bonds (distance) P-C4' energy: -106.480
flat angles C4'-P-C4' energy: -89.049
flat angles P-C4'-P energy: -54.404
tors. eta vs tors. theta energy: -44.143
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: 9, replica: 10
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -759.848235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.848235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.848235 (E_RNA)
where:
Base-Base interactions energy: -415.593
where: short stacking energy: -208.085
Base-Backbone interact. energy: 2.080
local terms energy: -346.334890
where:
bonds (distance) C4'-P energy: -102.663
bonds (distance) P-C4' energy: -105.335
flat angles C4'-P-C4' energy: -90.803
flat angles P-C4'-P energy: -47.377
tors. eta vs tors. theta energy: -0.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -447.452182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.452182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.452182 (E_RNA)
where:
Base-Base interactions energy: -130.044
where: short stacking energy: -107.130
Base-Backbone interact. energy: 0.127
local terms energy: -317.534769
where:
bonds (distance) C4'-P energy: -95.980
bonds (distance) P-C4' energy: -104.941
flat angles C4'-P-C4' energy: -70.475
flat angles P-C4'-P energy: -55.318
tors. eta vs tors. theta energy: 9.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -2060.354579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.354579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.354579 (E_RNA)
where:
Base-Base interactions energy: -1451.095
where: short stacking energy: -607.058
Base-Backbone interact. energy: -3.294
local terms energy: -605.965493
where:
bonds (distance) C4'-P energy: -107.286
bonds (distance) P-C4' energy: -108.634
flat angles C4'-P-C4' energy: -127.678
flat angles P-C4'-P energy: -88.136
tors. eta vs tors. theta energy: -174.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -2010.232805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.232805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.232805 (E_RNA)
where:
Base-Base interactions energy: -1392.264
where: short stacking energy: -592.397
Base-Backbone interact. energy: -0.055
local terms energy: -617.914118
where:
bonds (distance) C4'-P energy: -112.080
bonds (distance) P-C4' energy: -118.290
flat angles C4'-P-C4' energy: -128.999
flat angles P-C4'-P energy: -83.398
tors. eta vs tors. theta energy: -175.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1958.445136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.445136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.445136 (E_RNA)
where:
Base-Base interactions energy: -1343.851
where: short stacking energy: -559.385
Base-Backbone interact. energy: -4.462
local terms energy: -610.132169
where:
bonds (distance) C4'-P energy: -103.914
bonds (distance) P-C4' energy: -110.004
flat angles C4'-P-C4' energy: -133.095
flat angles P-C4'-P energy: -82.354
tors. eta vs tors. theta energy: -180.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1895.685794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.685794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.685794 (E_RNA)
where:
Base-Base interactions energy: -1306.010
where: short stacking energy: -542.002
Base-Backbone interact. energy: -3.782
local terms energy: -585.893538
where:
bonds (distance) C4'-P energy: -113.586
bonds (distance) P-C4' energy: -107.632
flat angles C4'-P-C4' energy: -118.096
flat angles P-C4'-P energy: -83.209
tors. eta vs tors. theta energy: -163.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1714.659301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.659301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.659301 (E_RNA)
where:
Base-Base interactions energy: -1152.626
where: short stacking energy: -499.474
Base-Backbone interact. energy: -2.135
local terms energy: -559.898373
where:
bonds (distance) C4'-P energy: -102.923
bonds (distance) P-C4' energy: -105.814
flat angles C4'-P-C4' energy: -113.336
flat angles P-C4'-P energy: -90.841
tors. eta vs tors. theta energy: -146.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1456.639349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.639349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.639349 (E_RNA)
where:
Base-Base interactions energy: -956.215
where: short stacking energy: -419.479
Base-Backbone interact. energy: -4.471
local terms energy: -495.952954
where:
bonds (distance) C4'-P energy: -96.340
bonds (distance) P-C4' energy: -111.827
flat angles C4'-P-C4' energy: -105.837
flat angles P-C4'-P energy: -70.585
tors. eta vs tors. theta energy: -111.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1274.589578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.589578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.589578 (E_RNA)
where:
Base-Base interactions energy: -818.739
where: short stacking energy: -360.180
Base-Backbone interact. energy: -0.094
local terms energy: -455.756587
where:
bonds (distance) C4'-P energy: -103.478
bonds (distance) P-C4' energy: -103.927
flat angles C4'-P-C4' energy: -93.078
flat angles P-C4'-P energy: -70.810
tors. eta vs tors. theta energy: -84.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1009.681157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.681157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.681157 (E_RNA)
where:
Base-Base interactions energy: -588.371
where: short stacking energy: -267.861
Base-Backbone interact. energy: 0.392
local terms energy: -421.702271
where:
bonds (distance) C4'-P energy: -100.025
bonds (distance) P-C4' energy: -99.559
flat angles C4'-P-C4' energy: -104.630
flat angles P-C4'-P energy: -55.080
tors. eta vs tors. theta energy: -62.409
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: 10
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -751.787463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.787463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.787463 (E_RNA)
where:
Base-Base interactions energy: -404.520
where: short stacking energy: -210.843
Base-Backbone interact. energy: -1.387
local terms energy: -345.880842
where:
bonds (distance) C4'-P energy: -84.796
bonds (distance) P-C4' energy: -94.933
flat angles C4'-P-C4' energy: -96.639
flat angles P-C4'-P energy: -44.173
tors. eta vs tors. theta energy: -25.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -447.707054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.707054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.707054 (E_RNA)
where:
Base-Base interactions energy: -153.084
where: short stacking energy: -97.709
Base-Backbone interact. energy: -0.678
local terms energy: -293.945201
where:
bonds (distance) C4'-P energy: -99.788
bonds (distance) P-C4' energy: -99.351
flat angles C4'-P-C4' energy: -79.523
flat angles P-C4'-P energy: -47.584
tors. eta vs tors. theta energy: 32.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -2036.035073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.035073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.035073 (E_RNA)
where:
Base-Base interactions energy: -1399.795
where: short stacking energy: -580.281
Base-Backbone interact. energy: -4.480
local terms energy: -631.759640
where:
bonds (distance) C4'-P energy: -122.656
bonds (distance) P-C4' energy: -111.170
flat angles C4'-P-C4' energy: -137.913
flat angles P-C4'-P energy: -82.613
tors. eta vs tors. theta energy: -177.407
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: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1993.307452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.307452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.307452 (E_RNA)
where:
Base-Base interactions energy: -1373.204
where: short stacking energy: -610.173
Base-Backbone interact. energy: -1.698
local terms energy: -618.405736
where:
bonds (distance) C4'-P energy: -108.423
bonds (distance) P-C4' energy: -112.269
flat angles C4'-P-C4' energy: -134.356
flat angles P-C4'-P energy: -89.169
tors. eta vs tors. theta energy: -174.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1933.892835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.892835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.892835 (E_RNA)
where:
Base-Base interactions energy: -1336.590
where: short stacking energy: -560.545
Base-Backbone interact. energy: -2.460
local terms energy: -594.843205
where:
bonds (distance) C4'-P energy: -114.807
bonds (distance) P-C4' energy: -116.379
flat angles C4'-P-C4' energy: -125.034
flat angles P-C4'-P energy: -69.629
tors. eta vs tors. theta energy: -168.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1866.108650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.108650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.108650 (E_RNA)
where:
Base-Base interactions energy: -1293.935
where: short stacking energy: -559.233
Base-Backbone interact. energy: -3.475
local terms energy: -568.698099
where:
bonds (distance) C4'-P energy: -103.233
bonds (distance) P-C4' energy: -117.079
flat angles C4'-P-C4' energy: -119.328
flat angles P-C4'-P energy: -66.222
tors. eta vs tors. theta energy: -162.835
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: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1757.206272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.206272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.206272 (E_RNA)
where:
Base-Base interactions energy: -1230.818
where: short stacking energy: -498.449
Base-Backbone interact. energy: -0.422
local terms energy: -525.966549
where:
bonds (distance) C4'-P energy: -103.015
bonds (distance) P-C4' energy: -101.661
flat angles C4'-P-C4' energy: -110.814
flat angles P-C4'-P energy: -66.223
tors. eta vs tors. theta energy: -144.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1461.136378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.136378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.136378 (E_RNA)
where:
Base-Base interactions energy: -988.516
where: short stacking energy: -437.753
Base-Backbone interact. energy: -1.328
local terms energy: -471.293252
where:
bonds (distance) C4'-P energy: -85.760
bonds (distance) P-C4' energy: -85.788
flat angles C4'-P-C4' energy: -112.921
flat angles P-C4'-P energy: -76.692
tors. eta vs tors. theta energy: -110.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1192.646703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.646703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.646703 (E_RNA)
where:
Base-Base interactions energy: -773.407
where: short stacking energy: -346.825
Base-Backbone interact. energy: -4.323
local terms energy: -414.916174
where:
bonds (distance) C4'-P energy: -94.571
bonds (distance) P-C4' energy: -89.098
flat angles C4'-P-C4' energy: -107.480
flat angles P-C4'-P energy: -67.666
tors. eta vs tors. theta energy: -56.101
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: 245
Temperature: 1.250000
Total energy: -1023.734013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.734013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.734013 (E_RNA)
where:
Base-Base interactions energy: -627.474
where: short stacking energy: -301.095
Base-Backbone interact. energy: -2.413
local terms energy: -393.846981
where:
bonds (distance) C4'-P energy: -90.649
bonds (distance) P-C4' energy: -94.376
flat angles C4'-P-C4' energy: -96.456
flat angles P-C4'-P energy: -64.440
tors. eta vs tors. theta energy: -47.925
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: 10
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -730.602399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.602399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.602399 (E_RNA)
where:
Base-Base interactions energy: -403.181
where: short stacking energy: -207.812
Base-Backbone interact. energy: 1.110
local terms energy: -328.532092
where:
bonds (distance) C4'-P energy: -102.974
bonds (distance) P-C4' energy: -98.412
flat angles C4'-P-C4' energy: -84.763
flat angles P-C4'-P energy: -41.407
tors. eta vs tors. theta energy: -0.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -466.211388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.211388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.211388 (E_RNA)
where:
Base-Base interactions energy: -173.987
where: short stacking energy: -124.003
Base-Backbone interact. energy: -1.012
local terms energy: -291.212418
where:
bonds (distance) C4'-P energy: -101.954
bonds (distance) P-C4' energy: -99.501
flat angles C4'-P-C4' energy: -67.311
flat angles P-C4'-P energy: -54.099
tors. eta vs tors. theta energy: 31.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -2051.545309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.545309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.545309 (E_RNA)
where:
Base-Base interactions energy: -1415.893
where: short stacking energy: -578.034
Base-Backbone interact. energy: -3.680
local terms energy: -631.972389
where:
bonds (distance) C4'-P energy: -123.368
bonds (distance) P-C4' energy: -119.267
flat angles C4'-P-C4' energy: -129.096
flat angles P-C4'-P energy: -86.060
tors. eta vs tors. theta energy: -174.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -2023.923647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.923647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.923647 (E_RNA)
where:
Base-Base interactions energy: -1391.965
where: short stacking energy: -588.282
Base-Backbone interact. energy: -3.627
local terms energy: -628.330925
where:
bonds (distance) C4'-P energy: -114.482
bonds (distance) P-C4' energy: -118.168
flat angles C4'-P-C4' energy: -133.047
flat angles P-C4'-P energy: -89.861
tors. eta vs tors. theta energy: -172.774
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: 8
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1954.803036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.803036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.803036 (E_RNA)
where:
Base-Base interactions energy: -1355.248
where: short stacking energy: -557.644
Base-Backbone interact. energy: -7.236
local terms energy: -592.318546
where:
bonds (distance) C4'-P energy: -102.343
bonds (distance) P-C4' energy: -118.891
flat angles C4'-P-C4' energy: -131.182
flat angles P-C4'-P energy: -76.191
tors. eta vs tors. theta energy: -163.712
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: 4, replica: 5
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1823.769556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.769556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.769556 (E_RNA)
where:
Base-Base interactions energy: -1261.170
where: short stacking energy: -506.680
Base-Backbone interact. energy: -1.951
local terms energy: -560.648231
where:
bonds (distance) C4'-P energy: -103.565
bonds (distance) P-C4' energy: -107.041
flat angles C4'-P-C4' energy: -124.188
flat angles P-C4'-P energy: -80.435
tors. eta vs tors. theta energy: -145.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1743.031352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.031352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.031352 (E_RNA)
where:
Base-Base interactions energy: -1211.629
where: short stacking energy: -509.800
Base-Backbone interact. energy: -0.934
local terms energy: -530.468223
where:
bonds (distance) C4'-P energy: -98.381
bonds (distance) P-C4' energy: -106.315
flat angles C4'-P-C4' energy: -111.474
flat angles P-C4'-P energy: -74.116
tors. eta vs tors. theta energy: -140.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1463.836318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.836318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.836318 (E_RNA)
where:
Base-Base interactions energy: -966.858
where: short stacking energy: -415.155
Base-Backbone interact. energy: -1.150
local terms energy: -495.828759
where:
bonds (distance) C4'-P energy: -97.884
bonds (distance) P-C4' energy: -102.758
flat angles C4'-P-C4' energy: -111.836
flat angles P-C4'-P energy: -73.643
tors. eta vs tors. theta energy: -109.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1147.687753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.687753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.687753 (E_RNA)
where:
Base-Base interactions energy: -764.704
where: short stacking energy: -329.688
Base-Backbone interact. energy: 3.396
local terms energy: -386.379507
where:
bonds (distance) C4'-P energy: -78.326
bonds (distance) P-C4' energy: -87.070
flat angles C4'-P-C4' energy: -111.425
flat angles P-C4'-P energy: -48.035
tors. eta vs tors. theta energy: -61.523
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: 246
Temperature: 1.250000
Total energy: -1001.696298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.696298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.696298 (E_RNA)
where:
Base-Base interactions energy: -613.619
where: short stacking energy: -303.999
Base-Backbone interact. energy: -0.208
local terms energy: -387.869657
where:
bonds (distance) C4'-P energy: -107.560
bonds (distance) P-C4' energy: -79.749
flat angles C4'-P-C4' energy: -79.618
flat angles P-C4'-P energy: -70.946
tors. eta vs tors. theta energy: -49.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -687.703233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.703233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.703233 (E_RNA)
where:
Base-Base interactions energy: -362.116
where: short stacking energy: -200.963
Base-Backbone interact. energy: -2.709
local terms energy: -322.878476
where:
bonds (distance) C4'-P energy: -88.172
bonds (distance) P-C4' energy: -96.043
flat angles C4'-P-C4' energy: -93.283
flat angles P-C4'-P energy: -49.314
tors. eta vs tors. theta energy: 3.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -444.164099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.164099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.164099 (E_RNA)
where:
Base-Base interactions energy: -136.538
where: short stacking energy: -113.959
Base-Backbone interact. energy: -3.986
local terms energy: -303.639857
where:
bonds (distance) C4'-P energy: -84.593
bonds (distance) P-C4' energy: -104.191
flat angles C4'-P-C4' energy: -88.771
flat angles P-C4'-P energy: -49.207
tors. eta vs tors. theta energy: 23.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -2033.246046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.246046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.246046 (E_RNA)
where:
Base-Base interactions energy: -1401.313
where: short stacking energy: -586.886
Base-Backbone interact. energy: -1.742
local terms energy: -630.190622
where:
bonds (distance) C4'-P energy: -118.505
bonds (distance) P-C4' energy: -124.447
flat angles C4'-P-C4' energy: -131.881
flat angles P-C4'-P energy: -83.808
tors. eta vs tors. theta energy: -171.549
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: 247
Temperature: 0.950000
Total energy: -2015.607142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.607142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.607142 (E_RNA)
where:
Base-Base interactions energy: -1388.398
where: short stacking energy: -579.354
Base-Backbone interact. energy: -4.962
local terms energy: -622.247149
where:
bonds (distance) C4'-P energy: -111.324
bonds (distance) P-C4' energy: -128.749
flat angles C4'-P-C4' energy: -131.850
flat angles P-C4'-P energy: -82.670
tors. eta vs tors. theta energy: -167.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1941.394918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.394918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.394918 (E_RNA)
where:
Base-Base interactions energy: -1358.818
where: short stacking energy: -559.733
Base-Backbone interact. energy: -0.742
local terms energy: -581.834423
where:
bonds (distance) C4'-P energy: -89.855
bonds (distance) P-C4' energy: -118.499
flat angles C4'-P-C4' energy: -129.129
flat angles P-C4'-P energy: -75.622
tors. eta vs tors. theta energy: -168.730
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: 5
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1830.339841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.339841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.339841 (E_RNA)
where:
Base-Base interactions energy: -1261.966
where: short stacking energy: -519.471
Base-Backbone interact. energy: -1.883
local terms energy: -566.490845
where:
bonds (distance) C4'-P energy: -102.250
bonds (distance) P-C4' energy: -117.958
flat angles C4'-P-C4' energy: -120.958
flat angles P-C4'-P energy: -81.205
tors. eta vs tors. theta energy: -144.120
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: 5, replica: 6
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1716.208938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.208938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.208938 (E_RNA)
where:
Base-Base interactions energy: -1172.118
where: short stacking energy: -475.904
Base-Backbone interact. energy: -2.531
local terms energy: -541.560268
where:
bonds (distance) C4'-P energy: -101.633
bonds (distance) P-C4' energy: -104.931
flat angles C4'-P-C4' energy: -120.343
flat angles P-C4'-P energy: -67.828
tors. eta vs tors. theta energy: -146.824
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: 3
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1450.974001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.974001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.974001 (E_RNA)
where:
Base-Base interactions energy: -964.976
where: short stacking energy: -409.645
Base-Backbone interact. energy: -5.002
local terms energy: -480.996343
where:
bonds (distance) C4'-P energy: -78.914
bonds (distance) P-C4' energy: -94.101
flat angles C4'-P-C4' energy: -116.861
flat angles P-C4'-P energy: -76.977
tors. eta vs tors. theta energy: -114.143
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: 7, replica: 1
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1139.811953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.811953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.811953 (E_RNA)
where:
Base-Base interactions energy: -725.215
where: short stacking energy: -338.564
Base-Backbone interact. energy: -1.668
local terms energy: -412.928242
where:
bonds (distance) C4'-P energy: -83.587
bonds (distance) P-C4' energy: -106.258
flat angles C4'-P-C4' energy: -106.693
flat angles P-C4'-P energy: -60.639
tors. eta vs tors. theta energy: -55.751
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: 4
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -970.497026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.497026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.497026 (E_RNA)
where:
Base-Base interactions energy: -588.570
where: short stacking energy: -272.698
Base-Backbone interact. energy: 1.330
local terms energy: -383.256872
where:
bonds (distance) C4'-P energy: -102.145
bonds (distance) P-C4' energy: -97.429
flat angles C4'-P-C4' energy: -87.418
flat angles P-C4'-P energy: -60.561
tors. eta vs tors. theta energy: -35.704
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: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -663.513972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.513972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.513972 (E_RNA)
where:
Base-Base interactions energy: -330.724
where: short stacking energy: -178.621
Base-Backbone interact. energy: 1.381
local terms energy: -334.170956
where:
bonds (distance) C4'-P energy: -95.667
bonds (distance) P-C4' energy: -100.996
flat angles C4'-P-C4' energy: -82.950
flat angles P-C4'-P energy: -47.773
tors. eta vs tors. theta energy: -6.785
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: 2
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -438.111305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.111305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.111305 (E_RNA)
where:
Base-Base interactions energy: -125.237
where: short stacking energy: -102.108
Base-Backbone interact. energy: 0.701
local terms energy: -313.575379
where:
bonds (distance) C4'-P energy: -90.191
bonds (distance) P-C4' energy: -113.959
flat angles C4'-P-C4' energy: -75.666
flat angles P-C4'-P energy: -55.834
tors. eta vs tors. theta energy: 22.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -2047.274868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.274868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.274868 (E_RNA)
where:
Base-Base interactions energy: -1434.462
where: short stacking energy: -604.278
Base-Backbone interact. energy: -1.697
local terms energy: -611.115184
where:
bonds (distance) C4'-P energy: -108.496
bonds (distance) P-C4' energy: -119.790
flat angles C4'-P-C4' energy: -127.602
flat angles P-C4'-P energy: -84.183
tors. eta vs tors. theta energy: -171.044
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: 248
Temperature: 0.950000
Total energy: -2042.451356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.451356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.451356 (E_RNA)
where:
Base-Base interactions energy: -1424.933
where: short stacking energy: -580.492
Base-Backbone interact. energy: -0.778
local terms energy: -616.739955
where:
bonds (distance) C4'-P energy: -99.644
bonds (distance) P-C4' energy: -124.170
flat angles C4'-P-C4' energy: -139.628
flat angles P-C4'-P energy: -89.094
tors. eta vs tors. theta energy: -164.204
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: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1930.588881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.588881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.588881 (E_RNA)
where:
Base-Base interactions energy: -1353.349
where: short stacking energy: -549.050
Base-Backbone interact. energy: -2.475
local terms energy: -574.765092
where:
bonds (distance) C4'-P energy: -98.175
bonds (distance) P-C4' energy: -99.792
flat angles C4'-P-C4' energy: -134.227
flat angles P-C4'-P energy: -77.685
tors. eta vs tors. theta energy: -164.887
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: 5
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1858.498553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.498553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.498553 (E_RNA)
where:
Base-Base interactions energy: -1276.617
where: short stacking energy: -525.545
Base-Backbone interact. energy: -0.106
local terms energy: -581.775319
where:
bonds (distance) C4'-P energy: -104.994
bonds (distance) P-C4' energy: -118.977
flat angles C4'-P-C4' energy: -128.781
flat angles P-C4'-P energy: -86.731
tors. eta vs tors. theta energy: -142.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1668.383466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.383466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.383466 (E_RNA)
where:
Base-Base interactions energy: -1118.935
where: short stacking energy: -458.749
Base-Backbone interact. energy: 2.329
local terms energy: -551.777069
where:
bonds (distance) C4'-P energy: -106.596
bonds (distance) P-C4' energy: -114.768
flat angles C4'-P-C4' energy: -111.465
flat angles P-C4'-P energy: -86.122
tors. eta vs tors. theta energy: -132.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1467.027034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.027034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.027034 (E_RNA)
where:
Base-Base interactions energy: -960.162
where: short stacking energy: -434.812
Base-Backbone interact. energy: -1.490
local terms energy: -505.375356
where:
bonds (distance) C4'-P energy: -90.675
bonds (distance) P-C4' energy: -107.021
flat angles C4'-P-C4' energy: -116.818
flat angles P-C4'-P energy: -74.559
tors. eta vs tors. theta energy: -116.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1186.442136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.442136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.442136 (E_RNA)
where:
Base-Base interactions energy: -784.133
where: short stacking energy: -341.470
Base-Backbone interact. energy: -2.470
local terms energy: -399.838822
where:
bonds (distance) C4'-P energy: -94.381
bonds (distance) P-C4' energy: -79.023
flat angles C4'-P-C4' energy: -100.627
flat angles P-C4'-P energy: -45.889
tors. eta vs tors. theta energy: -79.919
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: 248
Temperature: 1.250000
Total energy: -973.343430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.343430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.343430 (E_RNA)
where:
Base-Base interactions energy: -592.404
where: short stacking energy: -284.757
Base-Backbone interact. energy: 3.442
local terms energy: -384.381330
where:
bonds (distance) C4'-P energy: -91.906
bonds (distance) P-C4' energy: -105.037
flat angles C4'-P-C4' energy: -91.130
flat angles P-C4'-P energy: -44.917
tors. eta vs tors. theta energy: -51.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -606.468955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.468955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.468955 (E_RNA)
where:
Base-Base interactions energy: -298.056
where: short stacking energy: -158.732
Base-Backbone interact. energy: -0.432
local terms energy: -307.980650
where:
bonds (distance) C4'-P energy: -85.942
bonds (distance) P-C4' energy: -98.415
flat angles C4'-P-C4' energy: -73.233
flat angles P-C4'-P energy: -51.132
tors. eta vs tors. theta energy: 0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -467.539834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.539834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.539834 (E_RNA)
where:
Base-Base interactions energy: -200.986
where: short stacking energy: -144.742
Base-Backbone interact. energy: 7.066
local terms energy: -273.619786
where:
bonds (distance) C4'-P energy: -77.517
bonds (distance) P-C4' energy: -102.599
flat angles C4'-P-C4' energy: -88.581
flat angles P-C4'-P energy: -15.837
tors. eta vs tors. theta energy: 10.914
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: 7
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -2045.872901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.872901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.872901 (E_RNA)
where:
Base-Base interactions energy: -1443.751
where: short stacking energy: -606.721
Base-Backbone interact. energy: -2.014
local terms energy: -600.107684
where:
bonds (distance) C4'-P energy: -110.601
bonds (distance) P-C4' energy: -122.532
flat angles C4'-P-C4' energy: -121.310
flat angles P-C4'-P energy: -76.399
tors. eta vs tors. theta energy: -169.266
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: 9
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -2019.097817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.097817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.097817 (E_RNA)
where:
Base-Base interactions energy: -1408.032
where: short stacking energy: -579.793
Base-Backbone interact. energy: -2.374
local terms energy: -608.691964
where:
bonds (distance) C4'-P energy: -111.455
bonds (distance) P-C4' energy: -122.136
flat angles C4'-P-C4' energy: -136.571
flat angles P-C4'-P energy: -75.633
tors. eta vs tors. theta energy: -162.896
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: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1896.131701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.131701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.131701 (E_RNA)
where:
Base-Base interactions energy: -1305.515
where: short stacking energy: -548.549
Base-Backbone interact. energy: -1.573
local terms energy: -589.043456
where:
bonds (distance) C4'-P energy: -103.340
bonds (distance) P-C4' energy: -109.283
flat angles C4'-P-C4' energy: -130.651
flat angles P-C4'-P energy: -78.345
tors. eta vs tors. theta energy: -167.424
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: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1848.117822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.117822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.117822 (E_RNA)
where:
Base-Base interactions energy: -1288.805
where: short stacking energy: -544.651
Base-Backbone interact. energy: -4.235
local terms energy: -555.077664
where:
bonds (distance) C4'-P energy: -108.233
bonds (distance) P-C4' energy: -102.895
flat angles C4'-P-C4' energy: -111.835
flat angles P-C4'-P energy: -78.193
tors. eta vs tors. theta energy: -153.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1649.145764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.145764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.145764 (E_RNA)
where:
Base-Base interactions energy: -1119.655
where: short stacking energy: -466.868
Base-Backbone interact. energy: -1.084
local terms energy: -528.406501
where:
bonds (distance) C4'-P energy: -97.934
bonds (distance) P-C4' energy: -113.773
flat angles C4'-P-C4' energy: -114.661
flat angles P-C4'-P energy: -65.418
tors. eta vs tors. theta energy: -136.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1387.945583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.945583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.945583 (E_RNA)
where:
Base-Base interactions energy: -947.231
where: short stacking energy: -387.765
Base-Backbone interact. energy: -0.637
local terms energy: -440.078037
where:
bonds (distance) C4'-P energy: -86.946
bonds (distance) P-C4' energy: -94.668
flat angles C4'-P-C4' energy: -111.765
flat angles P-C4'-P energy: -50.670
tors. eta vs tors. theta energy: -96.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1227.076635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.076635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.076635 (E_RNA)
where:
Base-Base interactions energy: -830.412
where: short stacking energy: -366.467
Base-Backbone interact. energy: -2.531
local terms energy: -394.133697
where:
bonds (distance) C4'-P energy: -86.304
bonds (distance) P-C4' energy: -110.729
flat angles C4'-P-C4' energy: -81.058
flat angles P-C4'-P energy: -45.202
tors. eta vs tors. theta energy: -70.840
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: 4
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -999.646595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.646595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.646595 (E_RNA)
where:
Base-Base interactions energy: -575.193
where: short stacking energy: -284.885
Base-Backbone interact. energy: 0.624
local terms energy: -425.077211
where:
bonds (distance) C4'-P energy: -106.776
bonds (distance) P-C4' energy: -100.543
flat angles C4'-P-C4' energy: -108.185
flat angles P-C4'-P energy: -58.049
tors. eta vs tors. theta energy: -51.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -635.186532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.186532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.186532 (E_RNA)
where:
Base-Base interactions energy: -321.778
where: short stacking energy: -177.858
Base-Backbone interact. energy: -0.054
local terms energy: -313.355359
where:
bonds (distance) C4'-P energy: -86.860
bonds (distance) P-C4' energy: -104.596
flat angles C4'-P-C4' energy: -87.313
flat angles P-C4'-P energy: -51.134
tors. eta vs tors. theta energy: 16.547
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: 10, replica: 2
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -565.166108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.166108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.166108 (E_RNA)
where:
Base-Base interactions energy: -244.665
where: short stacking energy: -169.515
Base-Backbone interact. energy: -2.903
local terms energy: -317.597969
where:
bonds (distance) C4'-P energy: -115.511
bonds (distance) P-C4' energy: -98.741
flat angles C4'-P-C4' energy: -70.016
flat angles P-C4'-P energy: -34.396
tors. eta vs tors. theta energy: 1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -2068.190190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.190190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.190190 (E_RNA)
where:
Base-Base interactions energy: -1449.778
where: short stacking energy: -630.224
Base-Backbone interact. energy: -3.828
local terms energy: -614.584138
where:
bonds (distance) C4'-P energy: -98.092
bonds (distance) P-C4' energy: -119.587
flat angles C4'-P-C4' energy: -133.981
flat angles P-C4'-P energy: -92.218
tors. eta vs tors. theta energy: -170.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1999.135817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.135817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.135817 (E_RNA)
where:
Base-Base interactions energy: -1375.155
where: short stacking energy: -572.831
Base-Backbone interact. energy: -3.737
local terms energy: -620.243860
where:
bonds (distance) C4'-P energy: -125.878
bonds (distance) P-C4' energy: -109.533
flat angles C4'-P-C4' energy: -130.295
flat angles P-C4'-P energy: -85.881
tors. eta vs tors. theta energy: -168.657
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: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1873.069558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.069558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.069558 (E_RNA)
where:
Base-Base interactions energy: -1279.846
where: short stacking energy: -561.730
Base-Backbone interact. energy: -0.200
local terms energy: -593.023567
where:
bonds (distance) C4'-P energy: -108.432
bonds (distance) P-C4' energy: -89.755
flat angles C4'-P-C4' energy: -139.331
flat angles P-C4'-P energy: -85.955
tors. eta vs tors. theta energy: -169.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1854.997414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.997414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.997414 (E_RNA)
where:
Base-Base interactions energy: -1273.955
where: short stacking energy: -551.347
Base-Backbone interact. energy: -3.305
local terms energy: -577.736694
where:
bonds (distance) C4'-P energy: -120.466
bonds (distance) P-C4' energy: -99.646
flat angles C4'-P-C4' energy: -123.666
flat angles P-C4'-P energy: -79.777
tors. eta vs tors. theta energy: -154.181
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: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -1609.442386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.442386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.442386 (E_RNA)
where:
Base-Base interactions energy: -1071.881
where: short stacking energy: -468.915
Base-Backbone interact. energy: -2.040
local terms energy: -535.521265
where:
bonds (distance) C4'-P energy: -92.991
bonds (distance) P-C4' energy: -105.651
flat angles C4'-P-C4' energy: -125.404
flat angles P-C4'-P energy: -74.318
tors. eta vs tors. theta energy: -137.157
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: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1478.833571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.833571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.833571 (E_RNA)
where:
Base-Base interactions energy: -983.229
where: short stacking energy: -409.816
Base-Backbone interact. energy: -5.983
local terms energy: -489.621887
where:
bonds (distance) C4'-P energy: -109.527
bonds (distance) P-C4' energy: -102.991
flat angles C4'-P-C4' energy: -116.213
flat angles P-C4'-P energy: -57.407
tors. eta vs tors. theta energy: -103.484
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: 1
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1282.478791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.478791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.478791 (E_RNA)
where:
Base-Base interactions energy: -848.629
where: short stacking energy: -376.945
Base-Backbone interact. energy: -0.193
local terms energy: -433.656239
where:
bonds (distance) C4'-P energy: -101.270
bonds (distance) P-C4' energy: -87.350
flat angles C4'-P-C4' energy: -113.102
flat angles P-C4'-P energy: -53.852
tors. eta vs tors. theta energy: -78.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -959.292294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.292294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.292294 (E_RNA)
where:
Base-Base interactions energy: -550.729
where: short stacking energy: -237.952
Base-Backbone interact. energy: -2.378
local terms energy: -406.185369
where:
bonds (distance) C4'-P energy: -93.030
bonds (distance) P-C4' energy: -115.155
flat angles C4'-P-C4' energy: -104.183
flat angles P-C4'-P energy: -59.719
tors. eta vs tors. theta energy: -34.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -638.184217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.184217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.184217 (E_RNA)
where:
Base-Base interactions energy: -302.427
where: short stacking energy: -172.394
Base-Backbone interact. energy: 0.205
local terms energy: -335.962055
where:
bonds (distance) C4'-P energy: -84.406
bonds (distance) P-C4' energy: -111.062
flat angles C4'-P-C4' energy: -90.113
flat angles P-C4'-P energy: -56.183
tors. eta vs tors. theta energy: 5.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -513.628431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.628431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.628431 (E_RNA)
where:
Base-Base interactions energy: -215.499
where: short stacking energy: -127.698
Base-Backbone interact. energy: 5.576
local terms energy: -303.705332
where:
bonds (distance) C4'-P energy: -95.701
bonds (distance) P-C4' energy: -97.979
flat angles C4'-P-C4' energy: -87.468
flat angles P-C4'-P energy: -32.602
tors. eta vs tors. theta energy: 10.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -2066.752757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.752757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.752757 (E_RNA)
where:
Base-Base interactions energy: -1442.066
where: short stacking energy: -592.145
Base-Backbone interact. energy: -1.631
local terms energy: -623.055513
where:
bonds (distance) C4'-P energy: -108.577
bonds (distance) P-C4' energy: -117.219
flat angles C4'-P-C4' energy: -136.258
flat angles P-C4'-P energy: -86.314
tors. eta vs tors. theta energy: -174.687
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: 251
Temperature: 0.950000
Total energy: -2028.338638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.338638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.338638 (E_RNA)
where:
Base-Base interactions energy: -1394.579
where: short stacking energy: -600.473
Base-Backbone interact. energy: -1.226
local terms energy: -632.534011
where:
bonds (distance) C4'-P energy: -119.217
bonds (distance) P-C4' energy: -128.418
flat angles C4'-P-C4' energy: -136.026
flat angles P-C4'-P energy: -88.472
tors. eta vs tors. theta energy: -160.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1922.223774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.223774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.223774 (E_RNA)
where:
Base-Base interactions energy: -1319.551
where: short stacking energy: -545.623
Base-Backbone interact. energy: -2.711
local terms energy: -599.961840
where:
bonds (distance) C4'-P energy: -116.862
bonds (distance) P-C4' energy: -112.980
flat angles C4'-P-C4' energy: -121.233
flat angles P-C4'-P energy: -85.696
tors. eta vs tors. theta energy: -163.190
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: 5
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1822.798432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.798432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.798432 (E_RNA)
where:
Base-Base interactions energy: -1261.958
where: short stacking energy: -537.814
Base-Backbone interact. energy: -1.222
local terms energy: -559.618293
where:
bonds (distance) C4'-P energy: -107.876
bonds (distance) P-C4' energy: -112.302
flat angles C4'-P-C4' energy: -119.888
flat angles P-C4'-P energy: -67.908
tors. eta vs tors. theta energy: -151.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1606.040204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.040204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.040204 (E_RNA)
where:
Base-Base interactions energy: -1087.039
where: short stacking energy: -446.403
Base-Backbone interact. energy: -1.531
local terms energy: -517.470626
where:
bonds (distance) C4'-P energy: -110.057
bonds (distance) P-C4' energy: -110.570
flat angles C4'-P-C4' energy: -111.553
flat angles P-C4'-P energy: -60.405
tors. eta vs tors. theta energy: -124.885
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: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1451.586449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.586449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.586449 (E_RNA)
where:
Base-Base interactions energy: -965.711
where: short stacking energy: -394.814
Base-Backbone interact. energy: -1.243
local terms energy: -484.632953
where:
bonds (distance) C4'-P energy: -101.377
bonds (distance) P-C4' energy: -98.923
flat angles C4'-P-C4' energy: -108.493
flat angles P-C4'-P energy: -80.025
tors. eta vs tors. theta energy: -95.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1256.317971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.317971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.317971 (E_RNA)
where:
Base-Base interactions energy: -807.846
where: short stacking energy: -373.542
Base-Backbone interact. energy: -3.914
local terms energy: -444.558672
where:
bonds (distance) C4'-P energy: -102.110
bonds (distance) P-C4' energy: -87.864
flat angles C4'-P-C4' energy: -104.540
flat angles P-C4'-P energy: -68.590
tors. eta vs tors. theta energy: -81.455
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: 251
Temperature: 1.250000
Total energy: -1000.461319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.461319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.461319 (E_RNA)
where:
Base-Base interactions energy: -586.024
where: short stacking energy: -265.703
Base-Backbone interact. energy: -0.707
local terms energy: -413.730210
where:
bonds (distance) C4'-P energy: -102.518
bonds (distance) P-C4' energy: -118.545
flat angles C4'-P-C4' energy: -94.729
flat angles P-C4'-P energy: -48.498
tors. eta vs tors. theta energy: -49.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -607.360939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.360939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.360939 (E_RNA)
where:
Base-Base interactions energy: -279.971
where: short stacking energy: -145.300
Base-Backbone interact. energy: -1.870
local terms energy: -325.519809
where:
bonds (distance) C4'-P energy: -99.415
bonds (distance) P-C4' energy: -102.422
flat angles C4'-P-C4' energy: -71.543
flat angles P-C4'-P energy: -60.182
tors. eta vs tors. theta energy: 8.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -627.228127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.228127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.228127 (E_RNA)
where:
Base-Base interactions energy: -288.580
where: short stacking energy: -156.923
Base-Backbone interact. energy: -3.223
local terms energy: -335.425523
where:
bonds (distance) C4'-P energy: -92.497
bonds (distance) P-C4' energy: -101.386
flat angles C4'-P-C4' energy: -95.950
flat angles P-C4'-P energy: -45.907
tors. eta vs tors. theta energy: 0.315
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: 1, replica: 9
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -2060.335831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2060.335831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2060.335831 (E_RNA)
where:
Base-Base interactions energy: -1436.594
where: short stacking energy: -604.265
Base-Backbone interact. energy: -0.918
local terms energy: -622.823550
where:
bonds (distance) C4'-P energy: -120.517
bonds (distance) P-C4' energy: -111.006
flat angles C4'-P-C4' energy: -125.176
flat angles P-C4'-P energy: -86.771
tors. eta vs tors. theta energy: -179.353
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: 252
Temperature: 0.950000
Total energy: -1998.583573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.583573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.583573 (E_RNA)
where:
Base-Base interactions energy: -1398.989
where: short stacking energy: -580.153
Base-Backbone interact. energy: -0.942
local terms energy: -598.652513
where:
bonds (distance) C4'-P energy: -112.954
bonds (distance) P-C4' energy: -105.460
flat angles C4'-P-C4' energy: -135.349
flat angles P-C4'-P energy: -77.151
tors. eta vs tors. theta energy: -167.739
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: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1953.680560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.680560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.680560 (E_RNA)
where:
Base-Base interactions energy: -1350.816
where: short stacking energy: -556.551
Base-Backbone interact. energy: -1.930
local terms energy: -600.934680
where:
bonds (distance) C4'-P energy: -112.762
bonds (distance) P-C4' energy: -115.400
flat angles C4'-P-C4' energy: -130.841
flat angles P-C4'-P energy: -83.876
tors. eta vs tors. theta energy: -158.056
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: 5
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1862.017831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.017831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.017831 (E_RNA)
where:
Base-Base interactions energy: -1272.302
where: short stacking energy: -538.502
Base-Backbone interact. energy: -2.138
local terms energy: -587.577221
where:
bonds (distance) C4'-P energy: -103.476
bonds (distance) P-C4' energy: -120.591
flat angles C4'-P-C4' energy: -127.941
flat angles P-C4'-P energy: -73.751
tors. eta vs tors. theta energy: -161.818
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: 6
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1636.121897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.121897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.121897 (E_RNA)
where:
Base-Base interactions energy: -1095.890
where: short stacking energy: -471.020
Base-Backbone interact. energy: 1.755
local terms energy: -541.987194
where:
bonds (distance) C4'-P energy: -103.397
bonds (distance) P-C4' energy: -109.269
flat angles C4'-P-C4' energy: -115.117
flat angles P-C4'-P energy: -74.186
tors. eta vs tors. theta energy: -140.018
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: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1404.133462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.133462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.133462 (E_RNA)
where:
Base-Base interactions energy: -912.272
where: short stacking energy: -404.692
Base-Backbone interact. energy: 0.792
local terms energy: -492.653771
where:
bonds (distance) C4'-P energy: -110.303
bonds (distance) P-C4' energy: -96.786
flat angles C4'-P-C4' energy: -117.136
flat angles P-C4'-P energy: -68.579
tors. eta vs tors. theta energy: -99.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1277.040971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.040971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.040971 (E_RNA)
where:
Base-Base interactions energy: -812.448
where: short stacking energy: -344.868
Base-Backbone interact. energy: -2.681
local terms energy: -461.911529
where:
bonds (distance) C4'-P energy: -92.482
bonds (distance) P-C4' energy: -116.437
flat angles C4'-P-C4' energy: -111.279
flat angles P-C4'-P energy: -53.080
tors. eta vs tors. theta energy: -88.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -990.487582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.487582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.487582 (E_RNA)
where:
Base-Base interactions energy: -608.424
where: short stacking energy: -275.431
Base-Backbone interact. energy: -3.133
local terms energy: -378.930263
where:
bonds (distance) C4'-P energy: -99.493
bonds (distance) P-C4' energy: -99.769
flat angles C4'-P-C4' energy: -96.797
flat angles P-C4'-P energy: -48.261
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: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -572.342322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.342322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.342322 (E_RNA)
where:
Base-Base interactions energy: -269.066
where: short stacking energy: -158.437
Base-Backbone interact. energy: 3.335
local terms energy: -306.611258
where:
bonds (distance) C4'-P energy: -89.328
bonds (distance) P-C4' energy: -94.571
flat angles C4'-P-C4' energy: -92.161
flat angles P-C4'-P energy: -41.334
tors. eta vs tors. theta energy: 10.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -696.110689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.110689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.110689 (E_RNA)
where:
Base-Base interactions energy: -373.434
where: short stacking energy: -193.087
Base-Backbone interact. energy: 0.304
local terms energy: -322.981414
where:
bonds (distance) C4'-P energy: -86.139
bonds (distance) P-C4' energy: -93.755
flat angles C4'-P-C4' energy: -83.226
flat angles P-C4'-P energy: -55.558
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -2086.116695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.116695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.116695 (E_RNA)
where:
Base-Base interactions energy: -1463.263
where: short stacking energy: -617.673
Base-Backbone interact. energy: -1.614
local terms energy: -621.240023
where:
bonds (distance) C4'-P energy: -121.660
bonds (distance) P-C4' energy: -119.091
flat angles C4'-P-C4' energy: -128.823
flat angles P-C4'-P energy: -82.197
tors. eta vs tors. theta energy: -169.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -2035.144086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.144086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.144086 (E_RNA)
where:
Base-Base interactions energy: -1392.942
where: short stacking energy: -602.653
Base-Backbone interact. energy: -2.953
local terms energy: -639.249443
where:
bonds (distance) C4'-P energy: -109.987
bonds (distance) P-C4' energy: -122.087
flat angles C4'-P-C4' energy: -145.986
flat angles P-C4'-P energy: -88.152
tors. eta vs tors. theta energy: -173.038
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: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1932.916017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.916017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.916017 (E_RNA)
where:
Base-Base interactions energy: -1337.905
where: short stacking energy: -548.450
Base-Backbone interact. energy: -2.006
local terms energy: -593.005088
where:
bonds (distance) C4'-P energy: -110.116
bonds (distance) P-C4' energy: -117.339
flat angles C4'-P-C4' energy: -122.748
flat angles P-C4'-P energy: -79.813
tors. eta vs tors. theta energy: -162.990
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: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1859.065384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.065384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.065384 (E_RNA)
where:
Base-Base interactions energy: -1270.554
where: short stacking energy: -548.306
Base-Backbone interact. energy: -1.583
local terms energy: -586.928135
where:
bonds (distance) C4'-P energy: -102.872
bonds (distance) P-C4' energy: -116.731
flat angles C4'-P-C4' energy: -127.443
flat angles P-C4'-P energy: -90.003
tors. eta vs tors. theta energy: -149.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1634.510598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.510598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.510598 (E_RNA)
where:
Base-Base interactions energy: -1100.315
where: short stacking energy: -500.979
Base-Backbone interact. energy: -3.031
local terms energy: -531.163917
where:
bonds (distance) C4'-P energy: -88.874
bonds (distance) P-C4' energy: -104.615
flat angles C4'-P-C4' energy: -126.316
flat angles P-C4'-P energy: -73.338
tors. eta vs tors. theta energy: -138.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1347.029201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.029201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.029201 (E_RNA)
where:
Base-Base interactions energy: -893.759
where: short stacking energy: -389.811
Base-Backbone interact. energy: -1.210
local terms energy: -452.060737
where:
bonds (distance) C4'-P energy: -84.345
bonds (distance) P-C4' energy: -106.781
flat angles C4'-P-C4' energy: -102.345
flat angles P-C4'-P energy: -75.754
tors. eta vs tors. theta energy: -82.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1277.839194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.839194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.839194 (E_RNA)
where:
Base-Base interactions energy: -844.379
where: short stacking energy: -388.250
Base-Backbone interact. energy: -2.695
local terms energy: -430.765301
where:
bonds (distance) C4'-P energy: -85.473
bonds (distance) P-C4' energy: -92.891
flat angles C4'-P-C4' energy: -97.571
flat angles P-C4'-P energy: -62.319
tors. eta vs tors. theta energy: -92.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -976.892134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.892134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.892134 (E_RNA)
where:
Base-Base interactions energy: -569.080
where: short stacking energy: -262.036
Base-Backbone interact. energy: 5.171
local terms energy: -412.983055
where:
bonds (distance) C4'-P energy: -88.694
bonds (distance) P-C4' energy: -106.718
flat angles C4'-P-C4' energy: -96.579
flat angles P-C4'-P energy: -67.068
tors. eta vs tors. theta energy: -53.924
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: 9, replica: 10
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -605.025188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.025188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.025188 (E_RNA)
where:
Base-Base interactions energy: -281.202
where: short stacking energy: -175.810
Base-Backbone interact. energy: -0.493
local terms energy: -323.330285
where:
bonds (distance) C4'-P energy: -99.996
bonds (distance) P-C4' energy: -92.558
flat angles C4'-P-C4' energy: -64.708
flat angles P-C4'-P energy: -64.802
tors. eta vs tors. theta energy: -1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -627.059866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.059866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.059866 (E_RNA)
where:
Base-Base interactions energy: -326.308
where: short stacking energy: -172.715
Base-Backbone interact. energy: 3.133
local terms energy: -303.884788
where:
bonds (distance) C4'-P energy: -81.503
bonds (distance) P-C4' energy: -97.527
flat angles C4'-P-C4' energy: -93.795
flat angles P-C4'-P energy: -37.762
tors. eta vs tors. theta energy: 6.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -2070.366786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.366786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.366786 (E_RNA)
where:
Base-Base interactions energy: -1446.995
where: short stacking energy: -616.147
Base-Backbone interact. energy: 0.248
local terms energy: -623.620055
where:
bonds (distance) C4'-P energy: -113.825
bonds (distance) P-C4' energy: -116.723
flat angles C4'-P-C4' energy: -136.750
flat angles P-C4'-P energy: -86.769
tors. eta vs tors. theta energy: -169.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -2017.956321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.956321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.956321 (E_RNA)
where:
Base-Base interactions energy: -1403.960
where: short stacking energy: -616.175
Base-Backbone interact. energy: -2.550
local terms energy: -611.446692
where:
bonds (distance) C4'-P energy: -97.800
bonds (distance) P-C4' energy: -129.136
flat angles C4'-P-C4' energy: -122.756
flat angles P-C4'-P energy: -90.370
tors. eta vs tors. theta energy: -171.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1979.062555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.062555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.062555 (E_RNA)
where:
Base-Base interactions energy: -1384.074
where: short stacking energy: -557.218
Base-Backbone interact. energy: -2.512
local terms energy: -592.476059
where:
bonds (distance) C4'-P energy: -104.207
bonds (distance) P-C4' energy: -103.251
flat angles C4'-P-C4' energy: -134.040
flat angles P-C4'-P energy: -94.925
tors. eta vs tors. theta energy: -156.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1821.745447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.745447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.745447 (E_RNA)
where:
Base-Base interactions energy: -1254.711
where: short stacking energy: -544.026
Base-Backbone interact. energy: -2.462
local terms energy: -564.572707
where:
bonds (distance) C4'-P energy: -101.308
bonds (distance) P-C4' energy: -108.040
flat angles C4'-P-C4' energy: -130.264
flat angles P-C4'-P energy: -75.255
tors. eta vs tors. theta energy: -149.706
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: 6
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1660.611558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.611558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.611558 (E_RNA)
where:
Base-Base interactions energy: -1113.740
where: short stacking energy: -462.939
Base-Backbone interact. energy: -1.912
local terms energy: -544.959803
where:
bonds (distance) C4'-P energy: -111.972
bonds (distance) P-C4' energy: -108.268
flat angles C4'-P-C4' energy: -118.017
flat angles P-C4'-P energy: -70.327
tors. eta vs tors. theta energy: -136.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1481.591745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.591745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.591745 (E_RNA)
where:
Base-Base interactions energy: -982.589
where: short stacking energy: -428.032
Base-Backbone interact. energy: -0.323
local terms energy: -498.680146
where:
bonds (distance) C4'-P energy: -104.262
bonds (distance) P-C4' energy: -100.547
flat angles C4'-P-C4' energy: -108.025
flat angles P-C4'-P energy: -69.394
tors. eta vs tors. theta energy: -116.452
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: 7, replica: 1
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1275.028887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.028887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.028887 (E_RNA)
where:
Base-Base interactions energy: -812.945
where: short stacking energy: -347.202
Base-Backbone interact. energy: -2.421
local terms energy: -459.663453
where:
bonds (distance) C4'-P energy: -88.951
bonds (distance) P-C4' energy: -108.424
flat angles C4'-P-C4' energy: -112.329
flat angles P-C4'-P energy: -69.512
tors. eta vs tors. theta energy: -80.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -987.986016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.986016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.986016 (E_RNA)
where:
Base-Base interactions energy: -568.162
where: short stacking energy: -270.156
Base-Backbone interact. energy: -2.455
local terms energy: -417.368820
where:
bonds (distance) C4'-P energy: -95.426
bonds (distance) P-C4' energy: -95.873
flat angles C4'-P-C4' energy: -118.123
flat angles P-C4'-P energy: -61.489
tors. eta vs tors. theta energy: -46.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -633.618024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.618024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.618024 (E_RNA)
where:
Base-Base interactions energy: -277.399
where: short stacking energy: -166.438
Base-Backbone interact. energy: 7.839
local terms energy: -364.057420
where:
bonds (distance) C4'-P energy: -103.592
bonds (distance) P-C4' energy: -104.923
flat angles C4'-P-C4' energy: -84.620
flat angles P-C4'-P energy: -54.264
tors. eta vs tors. theta energy: -16.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -596.183581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.183581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.183581 (E_RNA)
where:
Base-Base interactions energy: -262.864
where: short stacking energy: -155.111
Base-Backbone interact. energy: 4.036
local terms energy: -337.355541
where:
bonds (distance) C4'-P energy: -90.225
bonds (distance) P-C4' energy: -114.734
flat angles C4'-P-C4' energy: -98.441
flat angles P-C4'-P energy: -50.345
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: 255
Temperature: 0.900000
Total energy: -2070.036179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.036179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.036179 (E_RNA)
where:
Base-Base interactions energy: -1414.340
where: short stacking energy: -614.810
Base-Backbone interact. energy: -1.412
local terms energy: -654.284807
where:
bonds (distance) C4'-P energy: -125.101
bonds (distance) P-C4' energy: -135.707
flat angles C4'-P-C4' energy: -135.682
flat angles P-C4'-P energy: -79.013
tors. eta vs tors. theta energy: -178.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1991.000313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.000313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.000313 (E_RNA)
where:
Base-Base interactions energy: -1395.668
where: short stacking energy: -567.167
Base-Backbone interact. energy: 2.408
local terms energy: -597.740338
where:
bonds (distance) C4'-P energy: -104.309
bonds (distance) P-C4' energy: -122.251
flat angles C4'-P-C4' energy: -127.163
flat angles P-C4'-P energy: -89.638
tors. eta vs tors. theta energy: -154.379
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: 255
Temperature: 1.000000
Total energy: -1953.754092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.754092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.754092 (E_RNA)
where:
Base-Base interactions energy: -1333.036
where: short stacking energy: -563.783
Base-Backbone interact. energy: -0.844
local terms energy: -619.874817
where:
bonds (distance) C4'-P energy: -126.698
bonds (distance) P-C4' energy: -113.620
flat angles C4'-P-C4' energy: -128.698
flat angles P-C4'-P energy: -77.516
tors. eta vs tors. theta energy: -173.343
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: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1815.230266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.230266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.230266 (E_RNA)
where:
Base-Base interactions energy: -1255.106
where: short stacking energy: -513.778
Base-Backbone interact. energy: -1.220
local terms energy: -558.904277
where:
bonds (distance) C4'-P energy: -106.033
bonds (distance) P-C4' energy: -92.735
flat angles C4'-P-C4' energy: -119.597
flat angles P-C4'-P energy: -86.745
tors. eta vs tors. theta energy: -153.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1595.636988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.636988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.636988 (E_RNA)
where:
Base-Base interactions energy: -1062.370
where: short stacking energy: -460.244
Base-Backbone interact. energy: -3.486
local terms energy: -529.780940
where:
bonds (distance) C4'-P energy: -94.688
bonds (distance) P-C4' energy: -107.940
flat angles C4'-P-C4' energy: -116.115
flat angles P-C4'-P energy: -78.626
tors. eta vs tors. theta energy: -132.412
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: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1489.650701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.650701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.650701 (E_RNA)
where:
Base-Base interactions energy: -979.130
where: short stacking energy: -431.428
Base-Backbone interact. energy: -1.582
local terms energy: -508.939289
where:
bonds (distance) C4'-P energy: -103.000
bonds (distance) P-C4' energy: -94.642
flat angles C4'-P-C4' energy: -106.417
flat angles P-C4'-P energy: -84.012
tors. eta vs tors. theta energy: -120.869
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: 1
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1249.943522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.943522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.943522 (E_RNA)
where:
Base-Base interactions energy: -785.085
where: short stacking energy: -353.834
Base-Backbone interact. energy: -0.722
local terms energy: -464.136672
where:
bonds (distance) C4'-P energy: -91.524
bonds (distance) P-C4' energy: -112.952
flat angles C4'-P-C4' energy: -116.414
flat angles P-C4'-P energy: -67.318
tors. eta vs tors. theta energy: -75.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -957.677765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.677765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.677765 (E_RNA)
where:
Base-Base interactions energy: -571.226
where: short stacking energy: -268.171
Base-Backbone interact. energy: -2.929
local terms energy: -383.522769
where:
bonds (distance) C4'-P energy: -81.915
bonds (distance) P-C4' energy: -113.638
flat angles C4'-P-C4' energy: -98.140
flat angles P-C4'-P energy: -60.808
tors. eta vs tors. theta energy: -29.023
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: 2
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -643.459473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.459473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.459473 (E_RNA)
where:
Base-Base interactions energy: -329.027
where: short stacking energy: -157.306
Base-Backbone interact. energy: 3.462
local terms energy: -317.894444
where:
bonds (distance) C4'-P energy: -89.234
bonds (distance) P-C4' energy: -93.575
flat angles C4'-P-C4' energy: -83.597
flat angles P-C4'-P energy: -64.801
tors. eta vs tors. theta energy: 13.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -625.424358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.424358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.424358 (E_RNA)
where:
Base-Base interactions energy: -276.806
where: short stacking energy: -164.362
Base-Backbone interact. energy: -0.502
local terms energy: -348.115940
where:
bonds (distance) C4'-P energy: -105.777
bonds (distance) P-C4' energy: -106.200
flat angles C4'-P-C4' energy: -80.185
flat angles P-C4'-P energy: -50.803
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: 1, replica: 9
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -2104.024433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.024433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.024433 (E_RNA)
where:
Base-Base interactions energy: -1465.425
where: short stacking energy: -621.399
Base-Backbone interact. energy: 5.282
local terms energy: -643.881545
where:
bonds (distance) C4'-P energy: -107.610
bonds (distance) P-C4' energy: -125.732
flat angles C4'-P-C4' energy: -135.521
flat angles P-C4'-P energy: -89.636
tors. eta vs tors. theta energy: -185.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1981.788851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.788851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.788851 (E_RNA)
where:
Base-Base interactions energy: -1389.551
where: short stacking energy: -562.942
Base-Backbone interact. energy: -2.277
local terms energy: -589.960577
where:
bonds (distance) C4'-P energy: -109.943
bonds (distance) P-C4' energy: -109.959
flat angles C4'-P-C4' energy: -128.520
flat angles P-C4'-P energy: -78.676
tors. eta vs tors. theta energy: -162.861
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: 3, replica: 7
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1922.832636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.832636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.832636 (E_RNA)
where:
Base-Base interactions energy: -1345.284
where: short stacking energy: -553.402
Base-Backbone interact. energy: 1.994
local terms energy: -579.542199
where:
bonds (distance) C4'-P energy: -114.240
bonds (distance) P-C4' energy: -110.275
flat angles C4'-P-C4' energy: -131.642
flat angles P-C4'-P energy: -69.609
tors. eta vs tors. theta energy: -153.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1835.151211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1835.151211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1835.151211 (E_RNA)
where:
Base-Base interactions energy: -1267.134
where: short stacking energy: -550.682
Base-Backbone interact. energy: -1.536
local terms energy: -566.481599
where:
bonds (distance) C4'-P energy: -107.154
bonds (distance) P-C4' energy: -105.046
flat angles C4'-P-C4' energy: -123.547
flat angles P-C4'-P energy: -90.523
tors. eta vs tors. theta energy: -140.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1670.601832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.601832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.601832 (E_RNA)
where:
Base-Base interactions energy: -1138.800
where: short stacking energy: -491.627
Base-Backbone interact. energy: -3.388
local terms energy: -528.414444
where:
bonds (distance) C4'-P energy: -85.508
bonds (distance) P-C4' energy: -111.412
flat angles C4'-P-C4' energy: -112.347
flat angles P-C4'-P energy: -78.992
tors. eta vs tors. theta energy: -140.156
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: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1435.926805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.926805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.926805 (E_RNA)
where:
Base-Base interactions energy: -938.302
where: short stacking energy: -409.753
Base-Backbone interact. energy: 1.547
local terms energy: -499.171802
where:
bonds (distance) C4'-P energy: -88.970
bonds (distance) P-C4' energy: -110.912
flat angles C4'-P-C4' energy: -126.065
flat angles P-C4'-P energy: -69.803
tors. eta vs tors. theta energy: -103.421
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: 256
Temperature: 1.200000
Total energy: -1249.892987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.892987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.892987 (E_RNA)
where:
Base-Base interactions energy: -798.296
where: short stacking energy: -354.299
Base-Backbone interact. energy: -1.798
local terms energy: -449.798736
where:
bonds (distance) C4'-P energy: -86.802
bonds (distance) P-C4' energy: -121.129
flat angles C4'-P-C4' energy: -104.377
flat angles P-C4'-P energy: -65.900
tors. eta vs tors. theta energy: -71.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -962.545903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.545903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.545903 (E_RNA)
where:
Base-Base interactions energy: -573.341
where: short stacking energy: -267.187
Base-Backbone interact. energy: -3.476
local terms energy: -385.729267
where:
bonds (distance) C4'-P energy: -97.159
bonds (distance) P-C4' energy: -97.418
flat angles C4'-P-C4' energy: -93.534
flat angles P-C4'-P energy: -62.231
tors. eta vs tors. theta energy: -35.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -627.951759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.951759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.951759 (E_RNA)
where:
Base-Base interactions energy: -305.238
where: short stacking energy: -179.051
Base-Backbone interact. energy: 5.801
local terms energy: -328.514931
where:
bonds (distance) C4'-P energy: -101.513
bonds (distance) P-C4' energy: -95.916
flat angles C4'-P-C4' energy: -64.131
flat angles P-C4'-P energy: -56.273
tors. eta vs tors. theta energy: -10.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -617.836162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.836162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.836162 (E_RNA)
where:
Base-Base interactions energy: -276.717
where: short stacking energy: -171.863
Base-Backbone interact. energy: -2.097
local terms energy: -339.022379
where:
bonds (distance) C4'-P energy: -97.112
bonds (distance) P-C4' energy: -80.784
flat angles C4'-P-C4' energy: -100.520
flat angles P-C4'-P energy: -56.620
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -2050.657136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.657136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.657136 (E_RNA)
where:
Base-Base interactions energy: -1416.206
where: short stacking energy: -612.586
Base-Backbone interact. energy: -1.629
local terms energy: -632.822163
where:
bonds (distance) C4'-P energy: -106.887
bonds (distance) P-C4' energy: -124.700
flat angles C4'-P-C4' energy: -127.618
flat angles P-C4'-P energy: -92.310
tors. eta vs tors. theta energy: -181.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1980.651666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.651666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.651666 (E_RNA)
where:
Base-Base interactions energy: -1374.799
where: short stacking energy: -570.592
Base-Backbone interact. energy: -1.295
local terms energy: -604.558035
where:
bonds (distance) C4'-P energy: -104.972
bonds (distance) P-C4' energy: -121.859
flat angles C4'-P-C4' energy: -126.369
flat angles P-C4'-P energy: -90.368
tors. eta vs tors. theta energy: -160.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1970.400673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.400673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.400673 (E_RNA)
where:
Base-Base interactions energy: -1373.297
where: short stacking energy: -578.022
Base-Backbone interact. energy: 1.536
local terms energy: -598.639849
where:
bonds (distance) C4'-P energy: -107.700
bonds (distance) P-C4' energy: -113.651
flat angles C4'-P-C4' energy: -131.243
flat angles P-C4'-P energy: -80.758
tors. eta vs tors. theta energy: -165.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1846.824335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.824335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.824335 (E_RNA)
where:
Base-Base interactions energy: -1272.317
where: short stacking energy: -522.509
Base-Backbone interact. energy: 0.027
local terms energy: -574.534006
where:
bonds (distance) C4'-P energy: -107.641
bonds (distance) P-C4' energy: -111.075
flat angles C4'-P-C4' energy: -126.319
flat angles P-C4'-P energy: -78.622
tors. eta vs tors. theta energy: -150.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -1700.584760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.584760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.584760 (E_RNA)
where:
Base-Base interactions energy: -1161.300
where: short stacking energy: -512.484
Base-Backbone interact. energy: -0.578
local terms energy: -538.706546
where:
bonds (distance) C4'-P energy: -97.253
bonds (distance) P-C4' energy: -101.209
flat angles C4'-P-C4' energy: -131.927
flat angles P-C4'-P energy: -64.997
tors. eta vs tors. theta energy: -143.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1439.946649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.946649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.946649 (E_RNA)
where:
Base-Base interactions energy: -981.616
where: short stacking energy: -422.562
Base-Backbone interact. energy: -0.883
local terms energy: -457.447736
where:
bonds (distance) C4'-P energy: -98.073
bonds (distance) P-C4' energy: -94.615
flat angles C4'-P-C4' energy: -92.158
flat angles P-C4'-P energy: -68.400
tors. eta vs tors. theta energy: -104.202
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: 257
Temperature: 1.200000
Total energy: -1227.171543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.171543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.171543 (E_RNA)
where:
Base-Base interactions energy: -800.409
where: short stacking energy: -349.773
Base-Backbone interact. energy: -3.327
local terms energy: -423.436200
where:
bonds (distance) C4'-P energy: -98.196
bonds (distance) P-C4' energy: -89.729
flat angles C4'-P-C4' energy: -91.922
flat angles P-C4'-P energy: -72.418
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: 8, replica: 4
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -989.437211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.437211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.437211 (E_RNA)
where:
Base-Base interactions energy: -604.501
where: short stacking energy: -275.174
Base-Backbone interact. energy: 0.936
local terms energy: -385.872037
where:
bonds (distance) C4'-P energy: -90.482
bonds (distance) P-C4' energy: -81.091
flat angles C4'-P-C4' energy: -107.132
flat angles P-C4'-P energy: -59.486
tors. eta vs tors. theta energy: -47.681
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: 10
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -657.080373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.080373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.080373 (E_RNA)
where:
Base-Base interactions energy: -310.348
where: short stacking energy: -165.710
Base-Backbone interact. energy: 6.201
local terms energy: -352.933365
where:
bonds (distance) C4'-P energy: -95.965
bonds (distance) P-C4' energy: -106.696
flat angles C4'-P-C4' energy: -84.077
flat angles P-C4'-P energy: -57.106
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -574.034707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.034707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.034707 (E_RNA)
where:
Base-Base interactions energy: -296.142
where: short stacking energy: -167.548
Base-Backbone interact. energy: -0.807
local terms energy: -277.085411
where:
bonds (distance) C4'-P energy: -90.285
bonds (distance) P-C4' energy: -101.043
flat angles C4'-P-C4' energy: -62.749
flat angles P-C4'-P energy: -25.844
tors. eta vs tors. theta energy: 2.836
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: 9
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -2051.530199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.530199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.530199 (E_RNA)
where:
Base-Base interactions energy: -1430.060
where: short stacking energy: -601.624
Base-Backbone interact. energy: -1.002
local terms energy: -620.468796
where:
bonds (distance) C4'-P energy: -108.969
bonds (distance) P-C4' energy: -125.601
flat angles C4'-P-C4' energy: -131.922
flat angles P-C4'-P energy: -76.703
tors. eta vs tors. theta energy: -177.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -2002.509613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.509613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.509613 (E_RNA)
where:
Base-Base interactions energy: -1387.820
where: short stacking energy: -563.119
Base-Backbone interact. energy: -1.132
local terms energy: -613.557477
where:
bonds (distance) C4'-P energy: -119.396
bonds (distance) P-C4' energy: -111.915
flat angles C4'-P-C4' energy: -126.830
flat angles P-C4'-P energy: -88.793
tors. eta vs tors. theta energy: -166.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1946.542523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.542523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.542523 (E_RNA)
where:
Base-Base interactions energy: -1337.166
where: short stacking energy: -560.362
Base-Backbone interact. energy: 0.384
local terms energy: -609.761193
where:
bonds (distance) C4'-P energy: -116.286
bonds (distance) P-C4' energy: -110.426
flat angles C4'-P-C4' energy: -138.372
flat angles P-C4'-P energy: -70.689
tors. eta vs tors. theta energy: -173.989
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: 5
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1838.863618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.863618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.863618 (E_RNA)
where:
Base-Base interactions energy: -1277.534
where: short stacking energy: -536.656
Base-Backbone interact. energy: 0.997
local terms energy: -562.326250
where:
bonds (distance) C4'-P energy: -96.284
bonds (distance) P-C4' energy: -112.138
flat angles C4'-P-C4' energy: -123.022
flat angles P-C4'-P energy: -79.986
tors. eta vs tors. theta energy: -150.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1564.727903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.727903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.727903 (E_RNA)
where:
Base-Base interactions energy: -1039.252
where: short stacking energy: -462.594
Base-Backbone interact. energy: -3.713
local terms energy: -521.762188
where:
bonds (distance) C4'-P energy: -96.836
bonds (distance) P-C4' energy: -104.125
flat angles C4'-P-C4' energy: -122.771
flat angles P-C4'-P energy: -73.131
tors. eta vs tors. theta energy: -124.900
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: 6
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1634.594093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.594093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.594093 (E_RNA)
where:
Base-Base interactions energy: -1098.336
where: short stacking energy: -460.656
Base-Backbone interact. energy: -0.109
local terms energy: -536.149460
where:
bonds (distance) C4'-P energy: -111.871
bonds (distance) P-C4' energy: -96.100
flat angles C4'-P-C4' energy: -114.440
flat angles P-C4'-P energy: -77.663
tors. eta vs tors. theta energy: -136.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1184.713264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.713264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.713264 (E_RNA)
where:
Base-Base interactions energy: -746.930
where: short stacking energy: -314.031
Base-Backbone interact. energy: -3.590
local terms energy: -434.193846
where:
bonds (distance) C4'-P energy: -86.111
bonds (distance) P-C4' energy: -99.460
flat angles C4'-P-C4' energy: -110.209
flat angles P-C4'-P energy: -75.143
tors. eta vs tors. theta energy: -63.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1069.067840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.067840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.067840 (E_RNA)
where:
Base-Base interactions energy: -681.171
where: short stacking energy: -319.229
Base-Backbone interact. energy: -3.095
local terms energy: -384.801766
where:
bonds (distance) C4'-P energy: -87.173
bonds (distance) P-C4' energy: -97.599
flat angles C4'-P-C4' energy: -77.471
flat angles P-C4'-P energy: -44.428
tors. eta vs tors. theta energy: -78.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -594.951365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.951365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.951365 (E_RNA)
where:
Base-Base interactions energy: -288.455
where: short stacking energy: -181.989
Base-Backbone interact. energy: 8.782
local terms energy: -315.277717
where:
bonds (distance) C4'-P energy: -92.486
bonds (distance) P-C4' energy: -97.627
flat angles C4'-P-C4' energy: -84.439
flat angles P-C4'-P energy: -44.054
tors. eta vs tors. theta energy: 3.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -593.440155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.440155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.440155 (E_RNA)
where:
Base-Base interactions energy: -284.289
where: short stacking energy: -158.549
Base-Backbone interact. energy: -2.753
local terms energy: -306.397272
where:
bonds (distance) C4'-P energy: -75.557
bonds (distance) P-C4' energy: -105.460
flat angles C4'-P-C4' energy: -78.338
flat angles P-C4'-P energy: -53.168
tors. eta vs tors. theta energy: 6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -2048.941059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.941059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.941059 (E_RNA)
where:
Base-Base interactions energy: -1421.043
where: short stacking energy: -606.846
Base-Backbone interact. energy: -0.250
local terms energy: -627.648172
where:
bonds (distance) C4'-P energy: -95.118
bonds (distance) P-C4' energy: -120.538
flat angles C4'-P-C4' energy: -143.485
flat angles P-C4'-P energy: -92.914
tors. eta vs tors. theta energy: -175.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -2017.773769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.773769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.773769 (E_RNA)
where:
Base-Base interactions energy: -1404.490
where: short stacking energy: -591.897
Base-Backbone interact. energy: -3.161
local terms energy: -610.122840
where:
bonds (distance) C4'-P energy: -122.276
bonds (distance) P-C4' energy: -99.052
flat angles C4'-P-C4' energy: -124.525
flat angles P-C4'-P energy: -86.945
tors. eta vs tors. theta energy: -177.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1919.154362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.154362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.154362 (E_RNA)
where:
Base-Base interactions energy: -1342.648
where: short stacking energy: -561.206
Base-Backbone interact. energy: -0.096
local terms energy: -576.410292
where:
bonds (distance) C4'-P energy: -106.265
bonds (distance) P-C4' energy: -114.681
flat angles C4'-P-C4' energy: -107.776
flat angles P-C4'-P energy: -81.740
tors. eta vs tors. theta energy: -165.949
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: 5
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1850.406348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.406348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.406348 (E_RNA)
where:
Base-Base interactions energy: -1324.583
where: short stacking energy: -548.908
Base-Backbone interact. energy: -4.816
local terms energy: -521.007824
where:
bonds (distance) C4'-P energy: -93.431
bonds (distance) P-C4' energy: -93.889
flat angles C4'-P-C4' energy: -109.734
flat angles P-C4'-P energy: -75.859
tors. eta vs tors. theta energy: -148.094
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: 5, replica: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1550.264832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.264832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.264832 (E_RNA)
where:
Base-Base interactions energy: -1033.982
where: short stacking energy: -472.428
Base-Backbone interact. energy: 5.180
local terms energy: -521.462734
where:
bonds (distance) C4'-P energy: -113.707
bonds (distance) P-C4' energy: -83.878
flat angles C4'-P-C4' energy: -120.158
flat angles P-C4'-P energy: -85.457
tors. eta vs tors. theta energy: -118.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1629.800003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.800003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.800003 (E_RNA)
where:
Base-Base interactions energy: -1115.580
where: short stacking energy: -474.943
Base-Backbone interact. energy: -1.956
local terms energy: -512.264234
where:
bonds (distance) C4'-P energy: -97.585
bonds (distance) P-C4' energy: -103.178
flat angles C4'-P-C4' energy: -106.461
flat angles P-C4'-P energy: -76.531
tors. eta vs tors. theta energy: -128.509
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: 1
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -1229.081684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.081684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.081684 (E_RNA)
where:
Base-Base interactions energy: -813.689
where: short stacking energy: -341.100
Base-Backbone interact. energy: 1.199
local terms energy: -416.591665
where:
bonds (distance) C4'-P energy: -101.382
bonds (distance) P-C4' energy: -84.651
flat angles C4'-P-C4' energy: -103.320
flat angles P-C4'-P energy: -63.630
tors. eta vs tors. theta energy: -63.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1120.642030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.642030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.642030 (E_RNA)
where:
Base-Base interactions energy: -697.000
where: short stacking energy: -334.453
Base-Backbone interact. energy: -1.554
local terms energy: -422.087821
where:
bonds (distance) C4'-P energy: -104.237
bonds (distance) P-C4' energy: -93.700
flat angles C4'-P-C4' energy: -90.784
flat angles P-C4'-P energy: -66.490
tors. eta vs tors. theta energy: -66.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -615.765921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.765921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.765921 (E_RNA)
where:
Base-Base interactions energy: -270.098
where: short stacking energy: -155.089
Base-Backbone interact. energy: -0.770
local terms energy: -344.898494
where:
bonds (distance) C4'-P energy: -111.950
bonds (distance) P-C4' energy: -109.396
flat angles C4'-P-C4' energy: -89.495
flat angles P-C4'-P energy: -50.479
tors. eta vs tors. theta energy: 16.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -576.275903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.275903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.275903 (E_RNA)
where:
Base-Base interactions energy: -283.630
where: short stacking energy: -192.117
Base-Backbone interact. energy: -2.282
local terms energy: -290.363692
where:
bonds (distance) C4'-P energy: -69.211
bonds (distance) P-C4' energy: -81.545
flat angles C4'-P-C4' energy: -67.940
flat angles P-C4'-P energy: -56.870
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -2050.941477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.941477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.941477 (E_RNA)
where:
Base-Base interactions energy: -1426.113
where: short stacking energy: -607.878
Base-Backbone interact. energy: 5.745
local terms energy: -630.573347
where:
bonds (distance) C4'-P energy: -117.377
bonds (distance) P-C4' energy: -123.990
flat angles C4'-P-C4' energy: -130.749
flat angles P-C4'-P energy: -80.710
tors. eta vs tors. theta energy: -177.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1986.156323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.156323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.156323 (E_RNA)
where:
Base-Base interactions energy: -1369.059
where: short stacking energy: -556.598
Base-Backbone interact. energy: -3.089
local terms energy: -614.008988
where:
bonds (distance) C4'-P energy: -110.172
bonds (distance) P-C4' energy: -122.703
flat angles C4'-P-C4' energy: -123.083
flat angles P-C4'-P energy: -93.087
tors. eta vs tors. theta energy: -164.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1942.565677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.565677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.565677 (E_RNA)
where:
Base-Base interactions energy: -1327.727
where: short stacking energy: -537.024
Base-Backbone interact. energy: -3.581
local terms energy: -611.258010
where:
bonds (distance) C4'-P energy: -116.516
bonds (distance) P-C4' energy: -118.317
flat angles C4'-P-C4' energy: -130.168
flat angles P-C4'-P energy: -77.242
tors. eta vs tors. theta energy: -169.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1858.553776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.553776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.553776 (E_RNA)
where:
Base-Base interactions energy: -1273.289
where: short stacking energy: -543.515
Base-Backbone interact. energy: -0.110
local terms energy: -585.154338
where:
bonds (distance) C4'-P energy: -109.823
bonds (distance) P-C4' energy: -101.783
flat angles C4'-P-C4' energy: -124.612
flat angles P-C4'-P energy: -86.646
tors. eta vs tors. theta energy: -162.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1679.823895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.823895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.823895 (E_RNA)
where:
Base-Base interactions energy: -1136.066
where: short stacking energy: -518.522
Base-Backbone interact. energy: -1.117
local terms energy: -542.641788
where:
bonds (distance) C4'-P energy: -95.570
bonds (distance) P-C4' energy: -91.033
flat angles C4'-P-C4' energy: -121.604
flat angles P-C4'-P energy: -79.238
tors. eta vs tors. theta energy: -155.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1437.348246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.348246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.348246 (E_RNA)
where:
Base-Base interactions energy: -953.600
where: short stacking energy: -385.227
Base-Backbone interact. energy: -4.679
local terms energy: -479.069707
where:
bonds (distance) C4'-P energy: -110.609
bonds (distance) P-C4' energy: -84.375
flat angles C4'-P-C4' energy: -113.089
flat angles P-C4'-P energy: -65.328
tors. eta vs tors. theta energy: -105.669
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: 1
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1216.902415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.902415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.902415 (E_RNA)
where:
Base-Base interactions energy: -791.171
where: short stacking energy: -347.088
Base-Backbone interact. energy: 2.826
local terms energy: -428.557027
where:
bonds (distance) C4'-P energy: -85.999
bonds (distance) P-C4' energy: -106.116
flat angles C4'-P-C4' energy: -109.817
flat angles P-C4'-P energy: -69.108
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: 8, replica: 4
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1139.475099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1139.475099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1139.475099 (E_RNA)
where:
Base-Base interactions energy: -670.656
where: short stacking energy: -315.546
Base-Backbone interact. energy: -1.327
local terms energy: -467.492068
where:
bonds (distance) C4'-P energy: -100.626
bonds (distance) P-C4' energy: -107.265
flat angles C4'-P-C4' energy: -101.557
flat angles P-C4'-P energy: -64.646
tors. eta vs tors. theta energy: -93.398
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: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -623.412696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.412696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.412696 (E_RNA)
where:
Base-Base interactions energy: -295.777
where: short stacking energy: -176.726
Base-Backbone interact. energy: 6.698
local terms energy: -334.333630
where:
bonds (distance) C4'-P energy: -90.859
bonds (distance) P-C4' energy: -97.670
flat angles C4'-P-C4' energy: -98.107
flat angles P-C4'-P energy: -50.879
tors. eta vs tors. theta energy: 3.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -553.938855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.938855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.938855 (E_RNA)
where:
Base-Base interactions energy: -273.938
where: short stacking energy: -151.155
Base-Backbone interact. energy: 0.958
local terms energy: -280.958026
where:
bonds (distance) C4'-P energy: -87.054
bonds (distance) P-C4' energy: -80.654
flat angles C4'-P-C4' energy: -93.127
flat angles P-C4'-P energy: -49.980
tors. eta vs tors. theta energy: 29.858
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: 9
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -2071.399778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.399778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.399778 (E_RNA)
where:
Base-Base interactions energy: -1427.190
where: short stacking energy: -618.480
Base-Backbone interact. energy: -2.667
local terms energy: -641.542260
where:
bonds (distance) C4'-P energy: -121.545
bonds (distance) P-C4' energy: -130.179
flat angles C4'-P-C4' energy: -129.257
flat angles P-C4'-P energy: -84.556
tors. eta vs tors. theta energy: -176.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -2007.743843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.743843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.743843 (E_RNA)
where:
Base-Base interactions energy: -1395.789
where: short stacking energy: -552.757
Base-Backbone interact. energy: -2.849
local terms energy: -609.105505
where:
bonds (distance) C4'-P energy: -108.331
bonds (distance) P-C4' energy: -121.308
flat angles C4'-P-C4' energy: -130.086
flat angles P-C4'-P energy: -82.821
tors. eta vs tors. theta energy: -166.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1921.937170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.937170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.937170 (E_RNA)
where:
Base-Base interactions energy: -1327.066
where: short stacking energy: -566.819
Base-Backbone interact. energy: -4.076
local terms energy: -590.795022
where:
bonds (distance) C4'-P energy: -103.025
bonds (distance) P-C4' energy: -117.255
flat angles C4'-P-C4' energy: -115.177
flat angles P-C4'-P energy: -93.827
tors. eta vs tors. theta energy: -161.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1827.422878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.422878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.422878 (E_RNA)
where:
Base-Base interactions energy: -1262.422
where: short stacking energy: -519.593
Base-Backbone interact. energy: -1.478
local terms energy: -563.523500
where:
bonds (distance) C4'-P energy: -107.492
bonds (distance) P-C4' energy: -104.138
flat angles C4'-P-C4' energy: -125.402
flat angles P-C4'-P energy: -75.962
tors. eta vs tors. theta energy: -150.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1714.371701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.371701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.371701 (E_RNA)
where:
Base-Base interactions energy: -1133.249
where: short stacking energy: -518.442
Base-Backbone interact. energy: 1.647
local terms energy: -582.769269
where:
bonds (distance) C4'-P energy: -105.770
bonds (distance) P-C4' energy: -122.684
flat angles C4'-P-C4' energy: -115.169
flat angles P-C4'-P energy: -83.908
tors. eta vs tors. theta energy: -155.239
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: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1472.940218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.940218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.940218 (E_RNA)
where:
Base-Base interactions energy: -992.078
where: short stacking energy: -427.221
Base-Backbone interact. energy: 0.547
local terms energy: -481.408537
where:
bonds (distance) C4'-P energy: -84.248
bonds (distance) P-C4' energy: -105.735
flat angles C4'-P-C4' energy: -115.275
flat angles P-C4'-P energy: -77.549
tors. eta vs tors. theta energy: -98.601
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: 1
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -1248.137252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.137252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.137252 (E_RNA)
where:
Base-Base interactions energy: -836.887
where: short stacking energy: -349.242
Base-Backbone interact. energy: 5.571
local terms energy: -416.821560
where:
bonds (distance) C4'-P energy: -92.964
bonds (distance) P-C4' energy: -99.323
flat angles C4'-P-C4' energy: -112.277
flat angles P-C4'-P energy: -44.789
tors. eta vs tors. theta energy: -67.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1152.635569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.635569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.635569 (E_RNA)
where:
Base-Base interactions energy: -728.199
where: short stacking energy: -334.602
Base-Backbone interact. energy: -0.340
local terms energy: -424.095883
where:
bonds (distance) C4'-P energy: -96.456
bonds (distance) P-C4' energy: -91.648
flat angles C4'-P-C4' energy: -107.075
flat angles P-C4'-P energy: -60.848
tors. eta vs tors. theta energy: -68.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -627.046714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.046714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.046714 (E_RNA)
where:
Base-Base interactions energy: -284.004
where: short stacking energy: -185.263
Base-Backbone interact. energy: -1.074
local terms energy: -341.969341
where:
bonds (distance) C4'-P energy: -100.292
bonds (distance) P-C4' energy: -98.744
flat angles C4'-P-C4' energy: -91.768
flat angles P-C4'-P energy: -51.243
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: 10, replica: 2
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -541.754707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.754707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.754707 (E_RNA)
where:
Base-Base interactions energy: -272.221
where: short stacking energy: -139.318
Base-Backbone interact. energy: 1.110
local terms energy: -270.643972
where:
bonds (distance) C4'-P energy: -84.498
bonds (distance) P-C4' energy: -84.890
flat angles C4'-P-C4' energy: -87.697
flat angles P-C4'-P energy: -37.575
tors. eta vs tors. theta energy: 24.016
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: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -2063.908081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.908081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.908081 (E_RNA)
where:
Base-Base interactions energy: -1428.911
where: short stacking energy: -593.734
Base-Backbone interact. energy: -0.545
local terms energy: -634.452010
where:
bonds (distance) C4'-P energy: -114.588
bonds (distance) P-C4' energy: -119.141
flat angles C4'-P-C4' energy: -137.430
flat angles P-C4'-P energy: -89.740
tors. eta vs tors. theta energy: -173.554
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: 9
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -2024.444775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2024.444775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2024.444775 (E_RNA)
where:
Base-Base interactions energy: -1396.528
where: short stacking energy: -620.898
Base-Backbone interact. energy: 0.564
local terms energy: -628.480853
where:
bonds (distance) C4'-P energy: -104.059
bonds (distance) P-C4' energy: -116.693
flat angles C4'-P-C4' energy: -133.146
flat angles P-C4'-P energy: -97.288
tors. eta vs tors. theta energy: -177.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1896.219809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.219809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.219809 (E_RNA)
where:
Base-Base interactions energy: -1298.946
where: short stacking energy: -540.798
Base-Backbone interact. energy: -1.464
local terms energy: -595.810338
where:
bonds (distance) C4'-P energy: -95.329
bonds (distance) P-C4' energy: -118.103
flat angles C4'-P-C4' energy: -126.715
flat angles P-C4'-P energy: -86.490
tors. eta vs tors. theta energy: -169.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1842.927210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.927210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.927210 (E_RNA)
where:
Base-Base interactions energy: -1270.800
where: short stacking energy: -531.867
Base-Backbone interact. energy: -2.209
local terms energy: -569.917817
where:
bonds (distance) C4'-P energy: -93.337
bonds (distance) P-C4' energy: -102.594
flat angles C4'-P-C4' energy: -128.115
flat angles P-C4'-P energy: -90.015
tors. eta vs tors. theta energy: -155.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1706.165176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.165176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.165176 (E_RNA)
where:
Base-Base interactions energy: -1178.722
where: short stacking energy: -503.992
Base-Backbone interact. energy: -0.538
local terms energy: -526.905124
where:
bonds (distance) C4'-P energy: -91.006
bonds (distance) P-C4' energy: -93.376
flat angles C4'-P-C4' energy: -116.114
flat angles P-C4'-P energy: -82.685
tors. eta vs tors. theta energy: -143.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1435.271128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.271128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.271128 (E_RNA)
where:
Base-Base interactions energy: -967.360
where: short stacking energy: -418.586
Base-Backbone interact. energy: -2.752
local terms energy: -465.159193
where:
bonds (distance) C4'-P energy: -99.802
bonds (distance) P-C4' energy: -110.831
flat angles C4'-P-C4' energy: -89.320
flat angles P-C4'-P energy: -74.333
tors. eta vs tors. theta energy: -90.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1247.582494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.582494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.582494 (E_RNA)
where:
Base-Base interactions energy: -830.057
where: short stacking energy: -361.353
Base-Backbone interact. energy: -0.089
local terms energy: -417.436127
where:
bonds (distance) C4'-P energy: -88.854
bonds (distance) P-C4' energy: -91.678
flat angles C4'-P-C4' energy: -103.702
flat angles P-C4'-P energy: -61.012
tors. eta vs tors. theta energy: -72.189
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: 262
Temperature: 1.250000
Total energy: -1097.438582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.438582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.438582 (E_RNA)
where:
Base-Base interactions energy: -672.972
where: short stacking energy: -310.731
Base-Backbone interact. energy: 2.429
local terms energy: -426.896206
where:
bonds (distance) C4'-P energy: -101.268
bonds (distance) P-C4' energy: -104.800
flat angles C4'-P-C4' energy: -87.467
flat angles P-C4'-P energy: -65.002
tors. eta vs tors. theta energy: -68.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -589.547987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.547987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.547987 (E_RNA)
where:
Base-Base interactions energy: -279.584
where: short stacking energy: -179.132
Base-Backbone interact. energy: -2.560
local terms energy: -307.403884
where:
bonds (distance) C4'-P energy: -76.929
bonds (distance) P-C4' energy: -104.487
flat angles C4'-P-C4' energy: -80.778
flat angles P-C4'-P energy: -56.029
tors. eta vs tors. theta energy: 10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -591.602723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.602723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.602723 (E_RNA)
where:
Base-Base interactions energy: -260.419
where: short stacking energy: -159.542
Base-Backbone interact. energy: 2.157
local terms energy: -333.340578
where:
bonds (distance) C4'-P energy: -98.290
bonds (distance) P-C4' energy: -96.567
flat angles C4'-P-C4' energy: -90.281
flat angles P-C4'-P energy: -58.919
tors. eta vs tors. theta energy: 10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -2074.354840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.354840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.354840 (E_RNA)
where:
Base-Base interactions energy: -1464.493
where: short stacking energy: -601.445
Base-Backbone interact. energy: 3.616
local terms energy: -613.477677
where:
bonds (distance) C4'-P energy: -102.316
bonds (distance) P-C4' energy: -114.490
flat angles C4'-P-C4' energy: -138.924
flat angles P-C4'-P energy: -84.923
tors. eta vs tors. theta energy: -172.825
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: 2, replica: 9
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -2013.802844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.802844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.802844 (E_RNA)
where:
Base-Base interactions energy: -1385.077
where: short stacking energy: -602.170
Base-Backbone interact. energy: -2.531
local terms energy: -626.195106
where:
bonds (distance) C4'-P energy: -122.404
bonds (distance) P-C4' energy: -103.209
flat angles C4'-P-C4' energy: -131.229
flat angles P-C4'-P energy: -94.529
tors. eta vs tors. theta energy: -174.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1899.514061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.514061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.514061 (E_RNA)
where:
Base-Base interactions energy: -1320.473
where: short stacking energy: -567.421
Base-Backbone interact. energy: -1.715
local terms energy: -577.326103
where:
bonds (distance) C4'-P energy: -95.835
bonds (distance) P-C4' energy: -108.080
flat angles C4'-P-C4' energy: -126.010
flat angles P-C4'-P energy: -76.149
tors. eta vs tors. theta energy: -171.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1833.257707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.257707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.257707 (E_RNA)
where:
Base-Base interactions energy: -1263.388
where: short stacking energy: -537.281
Base-Backbone interact. energy: 1.246
local terms energy: -571.115774
where:
bonds (distance) C4'-P energy: -100.615
bonds (distance) P-C4' energy: -113.002
flat angles C4'-P-C4' energy: -126.199
flat angles P-C4'-P energy: -74.365
tors. eta vs tors. theta energy: -156.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1719.889798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.889798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.889798 (E_RNA)
where:
Base-Base interactions energy: -1191.598
where: short stacking energy: -500.821
Base-Backbone interact. energy: -3.145
local terms energy: -525.146887
where:
bonds (distance) C4'-P energy: -94.914
bonds (distance) P-C4' energy: -102.085
flat angles C4'-P-C4' energy: -112.731
flat angles P-C4'-P energy: -66.884
tors. eta vs tors. theta energy: -148.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1434.898618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.898618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.898618 (E_RNA)
where:
Base-Base interactions energy: -971.887
where: short stacking energy: -435.007
Base-Backbone interact. energy: -3.053
local terms energy: -459.958140
where:
bonds (distance) C4'-P energy: -76.258
bonds (distance) P-C4' energy: -109.919
flat angles C4'-P-C4' energy: -94.608
flat angles P-C4'-P energy: -65.101
tors. eta vs tors. theta energy: -114.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1308.149743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.149743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.149743 (E_RNA)
where:
Base-Base interactions energy: -868.662
where: short stacking energy: -353.700
Base-Backbone interact. energy: -0.948
local terms energy: -438.539599
where:
bonds (distance) C4'-P energy: -95.734
bonds (distance) P-C4' energy: -104.682
flat angles C4'-P-C4' energy: -96.312
flat angles P-C4'-P energy: -69.437
tors. eta vs tors. theta energy: -72.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1105.812325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.812325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.812325 (E_RNA)
where:
Base-Base interactions energy: -676.654
where: short stacking energy: -326.645
Base-Backbone interact. energy: -0.133
local terms energy: -429.025235
where:
bonds (distance) C4'-P energy: -91.624
bonds (distance) P-C4' energy: -114.028
flat angles C4'-P-C4' energy: -98.694
flat angles P-C4'-P energy: -60.759
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: 9, replica: 2
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -609.583220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.583220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.583220 (E_RNA)
where:
Base-Base interactions energy: -277.156
where: short stacking energy: -190.095
Base-Backbone interact. energy: -1.581
local terms energy: -330.846665
where:
bonds (distance) C4'-P energy: -99.216
bonds (distance) P-C4' energy: -96.320
flat angles C4'-P-C4' energy: -97.283
flat angles P-C4'-P energy: -48.623
tors. eta vs tors. theta energy: 10.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -574.908619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.908619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.908619 (E_RNA)
where:
Base-Base interactions energy: -255.290
where: short stacking energy: -145.363
Base-Backbone interact. energy: -1.285
local terms energy: -318.333834
where:
bonds (distance) C4'-P energy: -91.492
bonds (distance) P-C4' energy: -92.735
flat angles C4'-P-C4' energy: -77.101
flat angles P-C4'-P energy: -64.534
tors. eta vs tors. theta energy: 7.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -2053.299499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2053.299499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2053.299499 (E_RNA)
where:
Base-Base interactions energy: -1438.533
where: short stacking energy: -591.459
Base-Backbone interact. energy: -2.436
local terms energy: -612.331293
where:
bonds (distance) C4'-P energy: -107.183
bonds (distance) P-C4' energy: -119.592
flat angles C4'-P-C4' energy: -132.483
flat angles P-C4'-P energy: -83.280
tors. eta vs tors. theta energy: -169.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -2021.586012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.586012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.586012 (E_RNA)
where:
Base-Base interactions energy: -1403.553
where: short stacking energy: -590.425
Base-Backbone interact. energy: -1.761
local terms energy: -616.271764
where:
bonds (distance) C4'-P energy: -107.495
bonds (distance) P-C4' energy: -112.680
flat angles C4'-P-C4' energy: -131.740
flat angles P-C4'-P energy: -78.267
tors. eta vs tors. theta energy: -186.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1924.217267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.217267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.217267 (E_RNA)
where:
Base-Base interactions energy: -1337.231
where: short stacking energy: -564.151
Base-Backbone interact. energy: -0.939
local terms energy: -586.047372
where:
bonds (distance) C4'-P energy: -110.279
bonds (distance) P-C4' energy: -114.428
flat angles C4'-P-C4' energy: -121.684
flat angles P-C4'-P energy: -73.805
tors. eta vs tors. theta energy: -165.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1860.424847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.424847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.424847 (E_RNA)
where:
Base-Base interactions energy: -1294.784
where: short stacking energy: -545.275
Base-Backbone interact. energy: -3.024
local terms energy: -562.616679
where:
bonds (distance) C4'-P energy: -102.112
bonds (distance) P-C4' energy: -98.697
flat angles C4'-P-C4' energy: -121.274
flat angles P-C4'-P energy: -78.090
tors. eta vs tors. theta energy: -162.444
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: 6
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1735.414534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.414534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.414534 (E_RNA)
where:
Base-Base interactions energy: -1183.214
where: short stacking energy: -509.481
Base-Backbone interact. energy: 2.186
local terms energy: -554.386387
where:
bonds (distance) C4'-P energy: -96.186
bonds (distance) P-C4' energy: -105.266
flat angles C4'-P-C4' energy: -126.383
flat angles P-C4'-P energy: -74.084
tors. eta vs tors. theta energy: -152.468
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: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1450.993813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.993813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.993813 (E_RNA)
where:
Base-Base interactions energy: -961.912
where: short stacking energy: -419.720
Base-Backbone interact. energy: 2.871
local terms energy: -491.952753
where:
bonds (distance) C4'-P energy: -89.493
bonds (distance) P-C4' energy: -108.633
flat angles C4'-P-C4' energy: -113.910
flat angles P-C4'-P energy: -74.657
tors. eta vs tors. theta energy: -105.259
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: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1275.788314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.788314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.788314 (E_RNA)
where:
Base-Base interactions energy: -843.706
where: short stacking energy: -348.709
Base-Backbone interact. energy: -0.955
local terms energy: -431.127903
where:
bonds (distance) C4'-P energy: -102.932
bonds (distance) P-C4' energy: -114.464
flat angles C4'-P-C4' energy: -94.662
flat angles P-C4'-P energy: -48.021
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: 8, replica: 4
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1115.974491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.974491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.974491 (E_RNA)
where:
Base-Base interactions energy: -705.836
where: short stacking energy: -314.660
Base-Backbone interact. energy: 2.099
local terms energy: -412.237366
where:
bonds (distance) C4'-P energy: -96.120
bonds (distance) P-C4' energy: -93.736
flat angles C4'-P-C4' energy: -104.318
flat angles P-C4'-P energy: -39.517
tors. eta vs tors. theta energy: -78.547
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: 9, replica: 2
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -580.894347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.894347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.894347 (E_RNA)
where:
Base-Base interactions energy: -248.932
where: short stacking energy: -163.255
Base-Backbone interact. energy: 1.106
local terms energy: -333.068215
where:
bonds (distance) C4'-P energy: -96.318
bonds (distance) P-C4' energy: -100.420
flat angles C4'-P-C4' energy: -74.633
flat angles P-C4'-P energy: -54.891
tors. eta vs tors. theta energy: -6.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -505.970792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.970792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.970792 (E_RNA)
where:
Base-Base interactions energy: -250.565
where: short stacking energy: -153.943
Base-Backbone interact. energy: 1.449
local terms energy: -256.854594
where:
bonds (distance) C4'-P energy: -85.757
bonds (distance) P-C4' energy: -100.955
flat angles C4'-P-C4' energy: -70.311
flat angles P-C4'-P energy: -34.822
tors. eta vs tors. theta energy: 34.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -2087.796441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.796441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.796441 (E_RNA)
where:
Base-Base interactions energy: -1471.493
where: short stacking energy: -589.378
Base-Backbone interact. energy: -2.443
local terms energy: -613.860984
where:
bonds (distance) C4'-P energy: -102.953
bonds (distance) P-C4' energy: -118.193
flat angles C4'-P-C4' energy: -134.425
flat angles P-C4'-P energy: -90.148
tors. eta vs tors. theta energy: -168.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -2022.073120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.073120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.073120 (E_RNA)
where:
Base-Base interactions energy: -1394.873
where: short stacking energy: -590.215
Base-Backbone interact. energy: -3.398
local terms energy: -623.801686
where:
bonds (distance) C4'-P energy: -113.588
bonds (distance) P-C4' energy: -121.566
flat angles C4'-P-C4' energy: -128.468
flat angles P-C4'-P energy: -82.769
tors. eta vs tors. theta energy: -177.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1924.904785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.904785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.904785 (E_RNA)
where:
Base-Base interactions energy: -1340.772
where: short stacking energy: -551.535
Base-Backbone interact. energy: -1.743
local terms energy: -582.390546
where:
bonds (distance) C4'-P energy: -117.679
bonds (distance) P-C4' energy: -123.052
flat angles C4'-P-C4' energy: -115.773
flat angles P-C4'-P energy: -64.259
tors. eta vs tors. theta energy: -161.627
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: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1864.022296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.022296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.022296 (E_RNA)
where:
Base-Base interactions energy: -1283.927
where: short stacking energy: -560.074
Base-Backbone interact. energy: -3.026
local terms energy: -577.069578
where:
bonds (distance) C4'-P energy: -106.792
bonds (distance) P-C4' energy: -107.472
flat angles C4'-P-C4' energy: -124.416
flat angles P-C4'-P energy: -86.809
tors. eta vs tors. theta energy: -151.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1758.501806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.501806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.501806 (E_RNA)
where:
Base-Base interactions energy: -1216.966
where: short stacking energy: -490.958
Base-Backbone interact. energy: 1.693
local terms energy: -543.228386
where:
bonds (distance) C4'-P energy: -111.364
bonds (distance) P-C4' energy: -85.326
flat angles C4'-P-C4' energy: -124.414
flat angles P-C4'-P energy: -68.778
tors. eta vs tors. theta energy: -153.346
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: 6, replica: 3
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1447.941616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.941616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.941616 (E_RNA)
where:
Base-Base interactions energy: -968.264
where: short stacking energy: -410.244
Base-Backbone interact. energy: 2.726
local terms energy: -482.404030
where:
bonds (distance) C4'-P energy: -92.284
bonds (distance) P-C4' energy: -107.512
flat angles C4'-P-C4' energy: -102.072
flat angles P-C4'-P energy: -75.361
tors. eta vs tors. theta energy: -105.174
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: 1
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1319.190920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.190920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.190920 (E_RNA)
where:
Base-Base interactions energy: -860.289
where: short stacking energy: -356.123
Base-Backbone interact. energy: -0.574
local terms energy: -458.327957
where:
bonds (distance) C4'-P energy: -95.132
bonds (distance) P-C4' energy: -101.421
flat angles C4'-P-C4' energy: -108.406
flat angles P-C4'-P energy: -72.961
tors. eta vs tors. theta energy: -80.407
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: 265
Temperature: 1.250000
Total energy: -1071.678648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.678648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.678648 (E_RNA)
where:
Base-Base interactions energy: -660.001
where: short stacking energy: -292.230
Base-Backbone interact. energy: -3.574
local terms energy: -408.104139
where:
bonds (distance) C4'-P energy: -89.326
bonds (distance) P-C4' energy: -108.056
flat angles C4'-P-C4' energy: -100.947
flat angles P-C4'-P energy: -64.021
tors. eta vs tors. theta energy: -45.754
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: 2
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -636.202396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.202396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.202396 (E_RNA)
where:
Base-Base interactions energy: -281.566
where: short stacking energy: -173.955
Base-Backbone interact. energy: -0.968
local terms energy: -353.668470
where:
bonds (distance) C4'-P energy: -95.419
bonds (distance) P-C4' energy: -103.623
flat angles C4'-P-C4' energy: -84.350
flat angles P-C4'-P energy: -54.766
tors. eta vs tors. theta energy: -15.510
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: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -489.936695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.936695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.936695 (E_RNA)
where:
Base-Base interactions energy: -216.623
where: short stacking energy: -144.291
Base-Backbone interact. energy: 3.840
local terms energy: -277.153777
where:
bonds (distance) C4'-P energy: -87.957
bonds (distance) P-C4' energy: -99.706
flat angles C4'-P-C4' energy: -82.513
flat angles P-C4'-P energy: -17.834
tors. eta vs tors. theta energy: 10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -2067.388662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.388662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.388662 (E_RNA)
where:
Base-Base interactions energy: -1453.097
where: short stacking energy: -588.986
Base-Backbone interact. energy: -4.610
local terms energy: -609.681896
where:
bonds (distance) C4'-P energy: -119.544
bonds (distance) P-C4' energy: -105.085
flat angles C4'-P-C4' energy: -124.291
flat angles P-C4'-P energy: -87.711
tors. eta vs tors. theta energy: -173.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -2034.622142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.622142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.622142 (E_RNA)
where:
Base-Base interactions energy: -1432.790
where: short stacking energy: -590.690
Base-Backbone interact. energy: 0.939
local terms energy: -602.771227
where:
bonds (distance) C4'-P energy: -113.053
bonds (distance) P-C4' energy: -101.217
flat angles C4'-P-C4' energy: -136.157
flat angles P-C4'-P energy: -72.745
tors. eta vs tors. theta energy: -179.600
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: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1932.066930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.066930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.066930 (E_RNA)
where:
Base-Base interactions energy: -1345.621
where: short stacking energy: -568.945
Base-Backbone interact. energy: -0.142
local terms energy: -586.303455
where:
bonds (distance) C4'-P energy: -122.574
bonds (distance) P-C4' energy: -107.600
flat angles C4'-P-C4' energy: -120.603
flat angles P-C4'-P energy: -69.124
tors. eta vs tors. theta energy: -166.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1857.428858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.428858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.428858 (E_RNA)
where:
Base-Base interactions energy: -1273.934
where: short stacking energy: -559.828
Base-Backbone interact. energy: -0.868
local terms energy: -582.626736
where:
bonds (distance) C4'-P energy: -89.190
bonds (distance) P-C4' energy: -115.782
flat angles C4'-P-C4' energy: -127.611
flat angles P-C4'-P energy: -92.382
tors. eta vs tors. theta energy: -157.661
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: 6
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -1783.582800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.582800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.582800 (E_RNA)
where:
Base-Base interactions energy: -1216.511
where: short stacking energy: -499.714
Base-Backbone interact. energy: -1.120
local terms energy: -565.951131
where:
bonds (distance) C4'-P energy: -92.820
bonds (distance) P-C4' energy: -95.388
flat angles C4'-P-C4' energy: -134.047
flat angles P-C4'-P energy: -78.257
tors. eta vs tors. theta energy: -165.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1466.524983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.524983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.524983 (E_RNA)
where:
Base-Base interactions energy: -971.515
where: short stacking energy: -425.606
Base-Backbone interact. energy: -1.040
local terms energy: -493.970451
where:
bonds (distance) C4'-P energy: -105.925
bonds (distance) P-C4' energy: -106.491
flat angles C4'-P-C4' energy: -101.463
flat angles P-C4'-P energy: -75.977
tors. eta vs tors. theta energy: -104.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1339.742797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.742797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.742797 (E_RNA)
where:
Base-Base interactions energy: -895.933
where: short stacking energy: -380.480
Base-Backbone interact. energy: -1.436
local terms energy: -442.372850
where:
bonds (distance) C4'-P energy: -102.218
bonds (distance) P-C4' energy: -92.692
flat angles C4'-P-C4' energy: -92.847
flat angles P-C4'-P energy: -71.475
tors. eta vs tors. theta energy: -83.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1070.328672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.328672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.328672 (E_RNA)
where:
Base-Base interactions energy: -680.513
where: short stacking energy: -317.399
Base-Backbone interact. energy: -2.163
local terms energy: -387.652408
where:
bonds (distance) C4'-P energy: -85.702
bonds (distance) P-C4' energy: -91.229
flat angles C4'-P-C4' energy: -103.554
flat angles P-C4'-P energy: -54.819
tors. eta vs tors. theta energy: -52.348
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: 2
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -597.103232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.103232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.103232 (E_RNA)
where:
Base-Base interactions energy: -282.252
where: short stacking energy: -169.185
Base-Backbone interact. energy: -2.341
local terms energy: -312.509592
where:
bonds (distance) C4'-P energy: -92.367
bonds (distance) P-C4' energy: -99.537
flat angles C4'-P-C4' energy: -85.525
flat angles P-C4'-P energy: -39.910
tors. eta vs tors. theta energy: 4.830
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: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -559.612472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.612472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.612472 (E_RNA)
where:
Base-Base interactions energy: -229.310
where: short stacking energy: -151.741
Base-Backbone interact. energy: -2.548
local terms energy: -327.754298
where:
bonds (distance) C4'-P energy: -93.016
bonds (distance) P-C4' energy: -109.748
flat angles C4'-P-C4' energy: -98.875
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: 13.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -2084.374058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2084.374058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2084.374058 (E_RNA)
where:
Base-Base interactions energy: -1448.247
where: short stacking energy: -578.131
Base-Backbone interact. energy: -3.556
local terms energy: -632.570369
where:
bonds (distance) C4'-P energy: -105.740
bonds (distance) P-C4' energy: -133.653
flat angles C4'-P-C4' energy: -135.206
flat angles P-C4'-P energy: -81.191
tors. eta vs tors. theta energy: -176.780
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: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -2044.540667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.540667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.540667 (E_RNA)
where:
Base-Base interactions energy: -1411.365
where: short stacking energy: -604.558
Base-Backbone interact. energy: 1.007
local terms energy: -634.183384
where:
bonds (distance) C4'-P energy: -108.336
bonds (distance) P-C4' energy: -118.199
flat angles C4'-P-C4' energy: -125.743
flat angles P-C4'-P energy: -101.098
tors. eta vs tors. theta energy: -180.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1924.380146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.380146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.380146 (E_RNA)
where:
Base-Base interactions energy: -1312.295
where: short stacking energy: -556.334
Base-Backbone interact. energy: 1.118
local terms energy: -613.202478
where:
bonds (distance) C4'-P energy: -110.065
bonds (distance) P-C4' energy: -113.848
flat angles C4'-P-C4' energy: -129.236
flat angles P-C4'-P energy: -75.747
tors. eta vs tors. theta energy: -184.307
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: 5
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1882.386068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.386068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.386068 (E_RNA)
where:
Base-Base interactions energy: -1276.504
where: short stacking energy: -562.474
Base-Backbone interact. energy: -3.128
local terms energy: -602.753329
where:
bonds (distance) C4'-P energy: -104.494
bonds (distance) P-C4' energy: -112.970
flat angles C4'-P-C4' energy: -127.693
flat angles P-C4'-P energy: -89.235
tors. eta vs tors. theta energy: -168.363
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: 6
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1716.274576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.274576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.274576 (E_RNA)
where:
Base-Base interactions energy: -1147.567
where: short stacking energy: -464.451
Base-Backbone interact. energy: -2.543
local terms energy: -566.165015
where:
bonds (distance) C4'-P energy: -108.081
bonds (distance) P-C4' energy: -114.973
flat angles C4'-P-C4' energy: -113.845
flat angles P-C4'-P energy: -81.226
tors. eta vs tors. theta energy: -148.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1381.710249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.710249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.710249 (E_RNA)
where:
Base-Base interactions energy: -967.604
where: short stacking energy: -402.488
Base-Backbone interact. energy: 3.064
local terms energy: -417.170743
where:
bonds (distance) C4'-P energy: -79.507
bonds (distance) P-C4' energy: -104.483
flat angles C4'-P-C4' energy: -95.684
flat angles P-C4'-P energy: -72.221
tors. eta vs tors. theta energy: -65.276
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: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1335.247619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.247619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.247619 (E_RNA)
where:
Base-Base interactions energy: -875.167
where: short stacking energy: -399.067
Base-Backbone interact. energy: -0.951
local terms energy: -459.129769
where:
bonds (distance) C4'-P energy: -109.654
bonds (distance) P-C4' energy: -87.845
flat angles C4'-P-C4' energy: -92.481
flat angles P-C4'-P energy: -69.313
tors. eta vs tors. theta energy: -99.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1025.498491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.498491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.498491 (E_RNA)
where:
Base-Base interactions energy: -609.722
where: short stacking energy: -304.505
Base-Backbone interact. energy: 4.664
local terms energy: -420.440779
where:
bonds (distance) C4'-P energy: -96.367
bonds (distance) P-C4' energy: -94.077
flat angles C4'-P-C4' energy: -111.781
flat angles P-C4'-P energy: -57.645
tors. eta vs tors. theta energy: -60.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -593.987807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.987807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.987807 (E_RNA)
where:
Base-Base interactions energy: -300.045
where: short stacking energy: -161.640
Base-Backbone interact. energy: 1.886
local terms energy: -295.828520
where:
bonds (distance) C4'-P energy: -97.036
bonds (distance) P-C4' energy: -88.980
flat angles C4'-P-C4' energy: -75.596
flat angles P-C4'-P energy: -35.276
tors. eta vs tors. theta energy: 1.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -565.666467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.666467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.666467 (E_RNA)
where:
Base-Base interactions energy: -276.252
where: short stacking energy: -171.144
Base-Backbone interact. energy: 0.499
local terms energy: -289.912900
where:
bonds (distance) C4'-P energy: -77.217
bonds (distance) P-C4' energy: -93.447
flat angles C4'-P-C4' energy: -77.442
flat angles P-C4'-P energy: -43.946
tors. eta vs tors. theta energy: 2.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -2079.445159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.445159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.445159 (E_RNA)
where:
Base-Base interactions energy: -1453.230
where: short stacking energy: -608.501
Base-Backbone interact. energy: 1.663
local terms energy: -627.879010
where:
bonds (distance) C4'-P energy: -126.515
bonds (distance) P-C4' energy: -116.598
flat angles C4'-P-C4' energy: -129.466
flat angles P-C4'-P energy: -75.267
tors. eta vs tors. theta energy: -180.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -2008.305576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.305576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.305576 (E_RNA)
where:
Base-Base interactions energy: -1387.306
where: short stacking energy: -571.506
Base-Backbone interact. energy: -3.462
local terms energy: -617.537326
where:
bonds (distance) C4'-P energy: -108.471
bonds (distance) P-C4' energy: -105.703
flat angles C4'-P-C4' energy: -130.448
flat angles P-C4'-P energy: -90.628
tors. eta vs tors. theta energy: -182.287
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: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1922.055139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.055139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.055139 (E_RNA)
where:
Base-Base interactions energy: -1329.947
where: short stacking energy: -550.129
Base-Backbone interact. energy: -1.382
local terms energy: -590.725989
where:
bonds (distance) C4'-P energy: -112.872
bonds (distance) P-C4' energy: -111.144
flat angles C4'-P-C4' energy: -128.194
flat angles P-C4'-P energy: -74.354
tors. eta vs tors. theta energy: -164.162
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: 5
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1890.708308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.708308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.708308 (E_RNA)
where:
Base-Base interactions energy: -1311.646
where: short stacking energy: -550.225
Base-Backbone interact. energy: 3.623
local terms energy: -582.685557
where:
bonds (distance) C4'-P energy: -110.468
bonds (distance) P-C4' energy: -104.646
flat angles C4'-P-C4' energy: -136.328
flat angles P-C4'-P energy: -77.203
tors. eta vs tors. theta energy: -154.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1749.970555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.970555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.970555 (E_RNA)
where:
Base-Base interactions energy: -1175.079
where: short stacking energy: -523.814
Base-Backbone interact. energy: -2.008
local terms energy: -572.884050
where:
bonds (distance) C4'-P energy: -110.591
bonds (distance) P-C4' energy: -103.365
flat angles C4'-P-C4' energy: -126.783
flat angles P-C4'-P energy: -72.326
tors. eta vs tors. theta energy: -159.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1409.563359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.563359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.563359 (E_RNA)
where:
Base-Base interactions energy: -951.927
where: short stacking energy: -390.730
Base-Backbone interact. energy: -0.921
local terms energy: -456.714618
where:
bonds (distance) C4'-P energy: -98.936
bonds (distance) P-C4' energy: -100.311
flat angles C4'-P-C4' energy: -99.856
flat angles P-C4'-P energy: -72.386
tors. eta vs tors. theta energy: -85.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1353.803477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.803477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.803477 (E_RNA)
where:
Base-Base interactions energy: -890.658
where: short stacking energy: -392.695
Base-Backbone interact. energy: 1.575
local terms energy: -464.720339
where:
bonds (distance) C4'-P energy: -97.566
bonds (distance) P-C4' energy: -98.840
flat angles C4'-P-C4' energy: -107.700
flat angles P-C4'-P energy: -59.592
tors. eta vs tors. theta energy: -101.022
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: 268
Temperature: 1.250000
Total energy: -989.140384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.140384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.140384 (E_RNA)
where:
Base-Base interactions energy: -588.031
where: short stacking energy: -289.104
Base-Backbone interact. energy: -2.944
local terms energy: -398.164811
where:
bonds (distance) C4'-P energy: -95.027
bonds (distance) P-C4' energy: -86.078
flat angles C4'-P-C4' energy: -103.020
flat angles P-C4'-P energy: -65.281
tors. eta vs tors. theta energy: -48.759
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: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -664.920165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.920165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.920165 (E_RNA)
where:
Base-Base interactions energy: -322.292
where: short stacking energy: -166.223
Base-Backbone interact. energy: -0.247
local terms energy: -342.380360
where:
bonds (distance) C4'-P energy: -105.936
bonds (distance) P-C4' energy: -105.491
flat angles C4'-P-C4' energy: -67.022
flat angles P-C4'-P energy: -65.549
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: 10, replica: 2
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -553.948404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.948404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.948404 (E_RNA)
where:
Base-Base interactions energy: -236.392
where: short stacking energy: -142.322
Base-Backbone interact. energy: -1.447
local terms energy: -316.109015
where:
bonds (distance) C4'-P energy: -84.882
bonds (distance) P-C4' energy: -91.501
flat angles C4'-P-C4' energy: -85.010
flat angles P-C4'-P energy: -53.107
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: 1, replica: 8
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -2067.405605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.405605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.405605 (E_RNA)
where:
Base-Base interactions energy: -1424.693
where: short stacking energy: -587.493
Base-Backbone interact. energy: -3.455
local terms energy: -639.257844
where:
bonds (distance) C4'-P energy: -114.224
bonds (distance) P-C4' energy: -130.625
flat angles C4'-P-C4' energy: -130.081
flat angles P-C4'-P energy: -90.663
tors. eta vs tors. theta energy: -173.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1956.596048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.596048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.596048 (E_RNA)
where:
Base-Base interactions energy: -1382.874
where: short stacking energy: -561.294
Base-Backbone interact. energy: -1.276
local terms energy: -572.446351
where:
bonds (distance) C4'-P energy: -102.486
bonds (distance) P-C4' energy: -106.324
flat angles C4'-P-C4' energy: -110.033
flat angles P-C4'-P energy: -89.784
tors. eta vs tors. theta energy: -163.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1934.358577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.358577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.358577 (E_RNA)
where:
Base-Base interactions energy: -1352.943
where: short stacking energy: -556.307
Base-Backbone interact. energy: -0.905
local terms energy: -580.510400
where:
bonds (distance) C4'-P energy: -105.304
bonds (distance) P-C4' energy: -103.616
flat angles C4'-P-C4' energy: -127.093
flat angles P-C4'-P energy: -79.826
tors. eta vs tors. theta energy: -164.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1846.210867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.210867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.210867 (E_RNA)
where:
Base-Base interactions energy: -1263.011
where: short stacking energy: -549.366
Base-Backbone interact. energy: -1.696
local terms energy: -581.504077
where:
bonds (distance) C4'-P energy: -106.356
bonds (distance) P-C4' energy: -110.315
flat angles C4'-P-C4' energy: -114.097
flat angles P-C4'-P energy: -83.632
tors. eta vs tors. theta energy: -167.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1706.704266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.704266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.704266 (E_RNA)
where:
Base-Base interactions energy: -1150.909
where: short stacking energy: -487.756
Base-Backbone interact. energy: -2.408
local terms energy: -553.387193
where:
bonds (distance) C4'-P energy: -104.197
bonds (distance) P-C4' energy: -108.112
flat angles C4'-P-C4' energy: -115.057
flat angles P-C4'-P energy: -75.300
tors. eta vs tors. theta energy: -150.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1408.811580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.811580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.811580 (E_RNA)
where:
Base-Base interactions energy: -924.995
where: short stacking energy: -385.981
Base-Backbone interact. energy: -0.211
local terms energy: -483.605593
where:
bonds (distance) C4'-P energy: -91.516
bonds (distance) P-C4' energy: -108.751
flat angles C4'-P-C4' energy: -114.743
flat angles P-C4'-P energy: -79.919
tors. eta vs tors. theta energy: -88.677
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: 1
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1365.850357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.850357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.850357 (E_RNA)
where:
Base-Base interactions energy: -944.803
where: short stacking energy: -378.000
Base-Backbone interact. energy: -1.283
local terms energy: -419.764276
where:
bonds (distance) C4'-P energy: -93.648
bonds (distance) P-C4' energy: -90.763
flat angles C4'-P-C4' energy: -96.612
flat angles P-C4'-P energy: -67.741
tors. eta vs tors. theta energy: -71.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1022.316475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.316475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.316475 (E_RNA)
where:
Base-Base interactions energy: -593.719
where: short stacking energy: -295.946
Base-Backbone interact. energy: -1.927
local terms energy: -426.670499
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -115.510
flat angles C4'-P-C4' energy: -94.522
flat angles P-C4'-P energy: -69.167
tors. eta vs tors. theta energy: -62.088
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: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -702.425506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.425506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.425506 (E_RNA)
where:
Base-Base interactions energy: -359.446
where: short stacking energy: -197.783
Base-Backbone interact. energy: -1.298
local terms energy: -341.681947
where:
bonds (distance) C4'-P energy: -82.183
bonds (distance) P-C4' energy: -98.177
flat angles C4'-P-C4' energy: -92.582
flat angles P-C4'-P energy: -57.110
tors. eta vs tors. theta energy: -11.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -562.390429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.390429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.390429 (E_RNA)
where:
Base-Base interactions energy: -270.765
where: short stacking energy: -155.457
Base-Backbone interact. energy: 1.829
local terms energy: -293.453810
where:
bonds (distance) C4'-P energy: -86.000
bonds (distance) P-C4' energy: -93.706
flat angles C4'-P-C4' energy: -74.349
flat angles P-C4'-P energy: -56.993
tors. eta vs tors. theta energy: 17.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -2062.643238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.643238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.643238 (E_RNA)
where:
Base-Base interactions energy: -1440.888
where: short stacking energy: -583.498
Base-Backbone interact. energy: -1.444
local terms energy: -620.311313
where:
bonds (distance) C4'-P energy: -110.148
bonds (distance) P-C4' energy: -114.076
flat angles C4'-P-C4' energy: -128.286
flat angles P-C4'-P energy: -86.451
tors. eta vs tors. theta energy: -181.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1972.928465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.928465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.928465 (E_RNA)
where:
Base-Base interactions energy: -1360.672
where: short stacking energy: -555.875
Base-Backbone interact. energy: -2.224
local terms energy: -610.033021
where:
bonds (distance) C4'-P energy: -115.869
bonds (distance) P-C4' energy: -107.024
flat angles C4'-P-C4' energy: -136.328
flat angles P-C4'-P energy: -83.849
tors. eta vs tors. theta energy: -166.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1968.081632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.081632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.081632 (E_RNA)
where:
Base-Base interactions energy: -1367.988
where: short stacking energy: -576.760
Base-Backbone interact. energy: -1.343
local terms energy: -598.750476
where:
bonds (distance) C4'-P energy: -110.072
bonds (distance) P-C4' energy: -105.109
flat angles C4'-P-C4' energy: -123.389
flat angles P-C4'-P energy: -85.087
tors. eta vs tors. theta energy: -175.093
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: 5
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1841.706522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.706522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.706522 (E_RNA)
where:
Base-Base interactions energy: -1248.943
where: short stacking energy: -558.721
Base-Backbone interact. energy: -1.559
local terms energy: -591.203665
where:
bonds (distance) C4'-P energy: -100.931
bonds (distance) P-C4' energy: -109.122
flat angles C4'-P-C4' energy: -135.059
flat angles P-C4'-P energy: -86.406
tors. eta vs tors. theta energy: -159.687
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: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1735.524130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.524130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.524130 (E_RNA)
where:
Base-Base interactions energy: -1172.546
where: short stacking energy: -510.984
Base-Backbone interact. energy: -1.778
local terms energy: -561.200069
where:
bonds (distance) C4'-P energy: -102.646
bonds (distance) P-C4' energy: -104.420
flat angles C4'-P-C4' energy: -118.765
flat angles P-C4'-P energy: -76.692
tors. eta vs tors. theta energy: -158.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1327.271406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.271406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.271406 (E_RNA)
where:
Base-Base interactions energy: -842.510
where: short stacking energy: -391.178
Base-Backbone interact. energy: -3.050
local terms energy: -481.711933
where:
bonds (distance) C4'-P energy: -93.561
bonds (distance) P-C4' energy: -110.448
flat angles C4'-P-C4' energy: -103.389
flat angles P-C4'-P energy: -88.549
tors. eta vs tors. theta energy: -85.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1261.122651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.122651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.122651 (E_RNA)
where:
Base-Base interactions energy: -835.591
where: short stacking energy: -352.155
Base-Backbone interact. energy: 1.338
local terms energy: -426.869274
where:
bonds (distance) C4'-P energy: -107.162
bonds (distance) P-C4' energy: -97.946
flat angles C4'-P-C4' energy: -91.899
flat angles P-C4'-P energy: -59.619
tors. eta vs tors. theta energy: -70.243
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: 270
Temperature: 1.250000
Total energy: -932.011887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.011887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.011887 (E_RNA)
where:
Base-Base interactions energy: -519.432
where: short stacking energy: -285.354
Base-Backbone interact. energy: -3.495
local terms energy: -409.085117
where:
bonds (distance) C4'-P energy: -91.010
bonds (distance) P-C4' energy: -111.733
flat angles C4'-P-C4' energy: -92.384
flat angles P-C4'-P energy: -54.022
tors. eta vs tors. theta energy: -59.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -700.545605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.545605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.545605 (E_RNA)
where:
Base-Base interactions energy: -358.272
where: short stacking energy: -205.451
Base-Backbone interact. energy: -1.786
local terms energy: -340.487958
where:
bonds (distance) C4'-P energy: -95.486
bonds (distance) P-C4' energy: -96.599
flat angles C4'-P-C4' energy: -97.667
flat angles P-C4'-P energy: -42.726
tors. eta vs tors. theta energy: -8.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -584.159680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.159680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.159680 (E_RNA)
where:
Base-Base interactions energy: -248.769
where: short stacking energy: -143.401
Base-Backbone interact. energy: -2.325
local terms energy: -333.066419
where:
bonds (distance) C4'-P energy: -97.801
bonds (distance) P-C4' energy: -107.562
flat angles C4'-P-C4' energy: -73.391
flat angles P-C4'-P energy: -49.998
tors. eta vs tors. theta energy: -4.314
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: 8
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -2095.739658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.739658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.739658 (E_RNA)
where:
Base-Base interactions energy: -1463.687
where: short stacking energy: -583.513
Base-Backbone interact. energy: -1.472
local terms energy: -630.580202
where:
bonds (distance) C4'-P energy: -112.364
bonds (distance) P-C4' energy: -126.625
flat angles C4'-P-C4' energy: -130.316
flat angles P-C4'-P energy: -89.877
tors. eta vs tors. theta energy: -171.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1989.216256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.216256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.216256 (E_RNA)
where:
Base-Base interactions energy: -1374.239
where: short stacking energy: -581.665
Base-Backbone interact. energy: -2.990
local terms energy: -611.986896
where:
bonds (distance) C4'-P energy: -107.150
bonds (distance) P-C4' energy: -117.272
flat angles C4'-P-C4' energy: -131.833
flat angles P-C4'-P energy: -81.590
tors. eta vs tors. theta energy: -174.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1964.744405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.744405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.744405 (E_RNA)
where:
Base-Base interactions energy: -1382.931
where: short stacking energy: -570.517
Base-Backbone interact. energy: -1.567
local terms energy: -580.246612
where:
bonds (distance) C4'-P energy: -110.037
bonds (distance) P-C4' energy: -113.918
flat angles C4'-P-C4' energy: -120.371
flat angles P-C4'-P energy: -70.987
tors. eta vs tors. theta energy: -164.934
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: 5
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1859.621714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.621714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.621714 (E_RNA)
where:
Base-Base interactions energy: -1272.589
where: short stacking energy: -545.060
Base-Backbone interact. energy: -3.244
local terms energy: -583.788824
where:
bonds (distance) C4'-P energy: -116.187
bonds (distance) P-C4' energy: -113.326
flat angles C4'-P-C4' energy: -120.990
flat angles P-C4'-P energy: -77.152
tors. eta vs tors. theta energy: -156.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1725.749183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.749183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.749183 (E_RNA)
where:
Base-Base interactions energy: -1179.651
where: short stacking energy: -509.000
Base-Backbone interact. energy: -1.677
local terms energy: -544.421262
where:
bonds (distance) C4'-P energy: -105.553
bonds (distance) P-C4' energy: -101.522
flat angles C4'-P-C4' energy: -112.682
flat angles P-C4'-P energy: -68.876
tors. eta vs tors. theta energy: -155.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1351.108329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.108329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.108329 (E_RNA)
where:
Base-Base interactions energy: -881.341
where: short stacking energy: -399.089
Base-Backbone interact. energy: -1.252
local terms energy: -468.515242
where:
bonds (distance) C4'-P energy: -83.277
bonds (distance) P-C4' energy: -97.597
flat angles C4'-P-C4' energy: -111.745
flat angles P-C4'-P energy: -80.459
tors. eta vs tors. theta energy: -95.437
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: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1246.081616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.081616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.081616 (E_RNA)
where:
Base-Base interactions energy: -803.031
where: short stacking energy: -365.463
Base-Backbone interact. energy: 0.822
local terms energy: -443.872273
where:
bonds (distance) C4'-P energy: -99.051
bonds (distance) P-C4' energy: -94.829
flat angles C4'-P-C4' energy: -112.218
flat angles P-C4'-P energy: -66.128
tors. eta vs tors. theta energy: -71.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -969.336960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.336960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.336960 (E_RNA)
where:
Base-Base interactions energy: -571.761
where: short stacking energy: -310.259
Base-Backbone interact. energy: -1.612
local terms energy: -395.963922
where:
bonds (distance) C4'-P energy: -93.754
bonds (distance) P-C4' energy: -74.406
flat angles C4'-P-C4' energy: -96.883
flat angles P-C4'-P energy: -72.692
tors. eta vs tors. theta energy: -58.229
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: 10
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -756.732007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.732007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.732007 (E_RNA)
where:
Base-Base interactions energy: -390.117
where: short stacking energy: -218.656
Base-Backbone interact. energy: 3.762
local terms energy: -370.376795
where:
bonds (distance) C4'-P energy: -95.908
bonds (distance) P-C4' energy: -106.677
flat angles C4'-P-C4' energy: -92.172
flat angles P-C4'-P energy: -66.216
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -544.870692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.870692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.870692 (E_RNA)
where:
Base-Base interactions energy: -216.257
where: short stacking energy: -144.251
Base-Backbone interact. energy: 0.255
local terms energy: -328.868671
where:
bonds (distance) C4'-P energy: -95.283
bonds (distance) P-C4' energy: -96.670
flat angles C4'-P-C4' energy: -94.602
flat angles P-C4'-P energy: -45.050
tors. eta vs tors. theta energy: 2.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -2064.299175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.299175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.299175 (E_RNA)
where:
Base-Base interactions energy: -1437.450
where: short stacking energy: -596.260
Base-Backbone interact. energy: 0.413
local terms energy: -627.262332
where:
bonds (distance) C4'-P energy: -111.884
bonds (distance) P-C4' energy: -126.269
flat angles C4'-P-C4' energy: -131.180
flat angles P-C4'-P energy: -78.531
tors. eta vs tors. theta energy: -179.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1971.395874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.395874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.395874 (E_RNA)
where:
Base-Base interactions energy: -1369.733
where: short stacking energy: -556.357
Base-Backbone interact. energy: -2.424
local terms energy: -599.239773
where:
bonds (distance) C4'-P energy: -117.574
bonds (distance) P-C4' energy: -108.310
flat angles C4'-P-C4' energy: -133.736
flat angles P-C4'-P energy: -86.343
tors. eta vs tors. theta energy: -153.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1982.925987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.925987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.925987 (E_RNA)
where:
Base-Base interactions energy: -1384.312
where: short stacking energy: -591.583
Base-Backbone interact. energy: -0.161
local terms energy: -598.453046
where:
bonds (distance) C4'-P energy: -109.438
bonds (distance) P-C4' energy: -107.342
flat angles C4'-P-C4' energy: -132.605
flat angles P-C4'-P energy: -78.652
tors. eta vs tors. theta energy: -170.417
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: 5
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1880.921558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.921558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.921558 (E_RNA)
where:
Base-Base interactions energy: -1290.939
where: short stacking energy: -568.866
Base-Backbone interact. energy: 2.596
local terms energy: -592.578964
where:
bonds (distance) C4'-P energy: -100.850
bonds (distance) P-C4' energy: -108.827
flat angles C4'-P-C4' energy: -123.509
flat angles P-C4'-P energy: -86.700
tors. eta vs tors. theta energy: -172.694
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: 6
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1723.496132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.496132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.496132 (E_RNA)
where:
Base-Base interactions energy: -1184.395
where: short stacking energy: -525.240
Base-Backbone interact. energy: 1.939
local terms energy: -541.040319
where:
bonds (distance) C4'-P energy: -105.698
bonds (distance) P-C4' energy: -85.148
flat angles C4'-P-C4' energy: -122.085
flat angles P-C4'-P energy: -82.469
tors. eta vs tors. theta energy: -145.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1395.664117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.664117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.664117 (E_RNA)
where:
Base-Base interactions energy: -916.329
where: short stacking energy: -404.745
Base-Backbone interact. energy: -2.710
local terms energy: -476.625768
where:
bonds (distance) C4'-P energy: -93.656
bonds (distance) P-C4' energy: -103.649
flat angles C4'-P-C4' energy: -108.922
flat angles P-C4'-P energy: -77.986
tors. eta vs tors. theta energy: -92.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1288.060295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.060295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.060295 (E_RNA)
where:
Base-Base interactions energy: -874.523
where: short stacking energy: -376.439
Base-Backbone interact. energy: 0.340
local terms energy: -413.876718
where:
bonds (distance) C4'-P energy: -85.772
bonds (distance) P-C4' energy: -94.796
flat angles C4'-P-C4' energy: -112.338
flat angles P-C4'-P energy: -45.429
tors. eta vs tors. theta energy: -75.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -907.481323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.481323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.481323 (E_RNA)
where:
Base-Base interactions energy: -519.077
where: short stacking energy: -266.990
Base-Backbone interact. energy: -0.995
local terms energy: -387.409071
where:
bonds (distance) C4'-P energy: -96.669
bonds (distance) P-C4' energy: -108.093
flat angles C4'-P-C4' energy: -93.008
flat angles P-C4'-P energy: -68.049
tors. eta vs tors. theta energy: -21.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -726.925939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.925939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.925939 (E_RNA)
where:
Base-Base interactions energy: -378.570
where: short stacking energy: -190.519
Base-Backbone interact. energy: -3.185
local terms energy: -345.170895
where:
bonds (distance) C4'-P energy: -90.859
bonds (distance) P-C4' energy: -92.664
flat angles C4'-P-C4' energy: -78.773
flat angles P-C4'-P energy: -65.321
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -530.861742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.861742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.861742 (E_RNA)
where:
Base-Base interactions energy: -241.179
where: short stacking energy: -134.679
Base-Backbone interact. energy: 5.684
local terms energy: -295.366038
where:
bonds (distance) C4'-P energy: -108.300
bonds (distance) P-C4' energy: -91.935
flat angles C4'-P-C4' energy: -68.442
flat angles P-C4'-P energy: -45.794
tors. eta vs tors. theta energy: 19.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -2067.698862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.698862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.698862 (E_RNA)
where:
Base-Base interactions energy: -1434.853
where: short stacking energy: -578.854
Base-Backbone interact. energy: -3.022
local terms energy: -629.823718
where:
bonds (distance) C4'-P energy: -108.531
bonds (distance) P-C4' energy: -127.779
flat angles C4'-P-C4' energy: -126.564
flat angles P-C4'-P energy: -93.649
tors. eta vs tors. theta energy: -173.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -2027.888928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.888928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.888928 (E_RNA)
where:
Base-Base interactions energy: -1406.178
where: short stacking energy: -575.458
Base-Backbone interact. energy: -4.200
local terms energy: -617.511057
where:
bonds (distance) C4'-P energy: -114.075
bonds (distance) P-C4' energy: -117.971
flat angles C4'-P-C4' energy: -129.334
flat angles P-C4'-P energy: -84.148
tors. eta vs tors. theta energy: -171.983
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: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1926.260628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.260628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.260628 (E_RNA)
where:
Base-Base interactions energy: -1312.233
where: short stacking energy: -561.021
Base-Backbone interact. energy: -2.552
local terms energy: -611.475636
where:
bonds (distance) C4'-P energy: -100.952
bonds (distance) P-C4' energy: -118.604
flat angles C4'-P-C4' energy: -127.680
flat angles P-C4'-P energy: -93.663
tors. eta vs tors. theta energy: -170.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1867.431961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.431961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.431961 (E_RNA)
where:
Base-Base interactions energy: -1266.586
where: short stacking energy: -514.959
Base-Backbone interact. energy: -2.577
local terms energy: -598.268928
where:
bonds (distance) C4'-P energy: -111.879
bonds (distance) P-C4' energy: -107.954
flat angles C4'-P-C4' energy: -122.369
flat angles P-C4'-P energy: -94.299
tors. eta vs tors. theta energy: -161.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1733.250766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.250766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.250766 (E_RNA)
where:
Base-Base interactions energy: -1192.943
where: short stacking energy: -511.507
Base-Backbone interact. energy: -1.032
local terms energy: -539.275356
where:
bonds (distance) C4'-P energy: -104.212
bonds (distance) P-C4' energy: -86.691
flat angles C4'-P-C4' energy: -123.856
flat angles P-C4'-P energy: -73.688
tors. eta vs tors. theta energy: -150.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1414.304533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.304533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.304533 (E_RNA)
where:
Base-Base interactions energy: -941.149
where: short stacking energy: -418.805
Base-Backbone interact. energy: -0.201
local terms energy: -472.954602
where:
bonds (distance) C4'-P energy: -100.919
bonds (distance) P-C4' energy: -105.567
flat angles C4'-P-C4' energy: -100.364
flat angles P-C4'-P energy: -67.883
tors. eta vs tors. theta energy: -98.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1316.059921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.059921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.059921 (E_RNA)
where:
Base-Base interactions energy: -871.253
where: short stacking energy: -354.920
Base-Backbone interact. energy: -3.445
local terms energy: -441.362439
where:
bonds (distance) C4'-P energy: -101.166
bonds (distance) P-C4' energy: -101.019
flat angles C4'-P-C4' energy: -105.944
flat angles P-C4'-P energy: -41.873
tors. eta vs tors. theta energy: -91.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -860.713849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.713849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.713849 (E_RNA)
where:
Base-Base interactions energy: -499.812
where: short stacking energy: -248.178
Base-Backbone interact. energy: -1.393
local terms energy: -359.509294
where:
bonds (distance) C4'-P energy: -85.318
bonds (distance) P-C4' energy: -93.814
flat angles C4'-P-C4' energy: -87.058
flat angles P-C4'-P energy: -64.623
tors. eta vs tors. theta energy: -28.697
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: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -798.641590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.641590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.641590 (E_RNA)
where:
Base-Base interactions energy: -478.791
where: short stacking energy: -258.325
Base-Backbone interact. energy: 4.356
local terms energy: -324.205970
where:
bonds (distance) C4'-P energy: -84.015
bonds (distance) P-C4' energy: -93.439
flat angles C4'-P-C4' energy: -89.965
flat angles P-C4'-P energy: -33.673
tors. eta vs tors. theta energy: -23.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -546.643574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.643574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.643574 (E_RNA)
where:
Base-Base interactions energy: -239.780
where: short stacking energy: -136.690
Base-Backbone interact. energy: 1.784
local terms energy: -308.646937
where:
bonds (distance) C4'-P energy: -92.035
bonds (distance) P-C4' energy: -110.749
flat angles C4'-P-C4' energy: -88.861
flat angles P-C4'-P energy: -42.098
tors. eta vs tors. theta energy: 25.097
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: 8
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -2087.969960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.969960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.969960 (E_RNA)
where:
Base-Base interactions energy: -1459.053
where: short stacking energy: -604.652
Base-Backbone interact. energy: -5.324
local terms energy: -623.592844
where:
bonds (distance) C4'-P energy: -118.632
bonds (distance) P-C4' energy: -102.495
flat angles C4'-P-C4' energy: -131.880
flat angles P-C4'-P energy: -87.542
tors. eta vs tors. theta energy: -183.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -2015.329316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.329316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.329316 (E_RNA)
where:
Base-Base interactions energy: -1414.832
where: short stacking energy: -591.767
Base-Backbone interact. energy: -1.985
local terms energy: -598.512384
where:
bonds (distance) C4'-P energy: -107.167
bonds (distance) P-C4' energy: -102.795
flat angles C4'-P-C4' energy: -136.083
flat angles P-C4'-P energy: -74.605
tors. eta vs tors. theta energy: -177.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1905.479697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.479697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.479697 (E_RNA)
where:
Base-Base interactions energy: -1297.928
where: short stacking energy: -546.719
Base-Backbone interact. energy: -5.559
local terms energy: -601.993122
where:
bonds (distance) C4'-P energy: -119.970
bonds (distance) P-C4' energy: -117.809
flat angles C4'-P-C4' energy: -133.422
flat angles P-C4'-P energy: -73.360
tors. eta vs tors. theta energy: -157.432
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: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1824.022455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.022455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.022455 (E_RNA)
where:
Base-Base interactions energy: -1254.827
where: short stacking energy: -526.731
Base-Backbone interact. energy: 0.193
local terms energy: -569.388509
where:
bonds (distance) C4'-P energy: -111.927
bonds (distance) P-C4' energy: -97.490
flat angles C4'-P-C4' energy: -130.022
flat angles P-C4'-P energy: -76.488
tors. eta vs tors. theta energy: -153.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1746.596103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.596103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.596103 (E_RNA)
where:
Base-Base interactions energy: -1208.181
where: short stacking energy: -508.283
Base-Backbone interact. energy: 1.533
local terms energy: -539.947576
where:
bonds (distance) C4'-P energy: -92.583
bonds (distance) P-C4' energy: -107.027
flat angles C4'-P-C4' energy: -112.390
flat angles P-C4'-P energy: -74.846
tors. eta vs tors. theta energy: -153.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1458.899679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.899679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.899679 (E_RNA)
where:
Base-Base interactions energy: -956.250
where: short stacking energy: -434.436
Base-Backbone interact. energy: -5.630
local terms energy: -497.019932
where:
bonds (distance) C4'-P energy: -95.744
bonds (distance) P-C4' energy: -96.549
flat angles C4'-P-C4' energy: -114.247
flat angles P-C4'-P energy: -74.991
tors. eta vs tors. theta energy: -115.490
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: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1310.665612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.665612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.665612 (E_RNA)
where:
Base-Base interactions energy: -878.030
where: short stacking energy: -389.974
Base-Backbone interact. energy: -1.586
local terms energy: -431.049531
where:
bonds (distance) C4'-P energy: -77.844
bonds (distance) P-C4' energy: -100.313
flat angles C4'-P-C4' energy: -103.040
flat angles P-C4'-P energy: -63.490
tors. eta vs tors. theta energy: -86.363
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: 274
Temperature: 1.250000
Total energy: -881.019588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.019588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.019588 (E_RNA)
where:
Base-Base interactions energy: -485.350
where: short stacking energy: -247.779
Base-Backbone interact. energy: -1.379
local terms energy: -394.290202
where:
bonds (distance) C4'-P energy: -103.751
bonds (distance) P-C4' energy: -109.220
flat angles C4'-P-C4' energy: -83.124
flat angles P-C4'-P energy: -65.394
tors. eta vs tors. theta energy: -32.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -834.522429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.522429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.522429 (E_RNA)
where:
Base-Base interactions energy: -484.948
where: short stacking energy: -222.479
Base-Backbone interact. energy: 2.252
local terms energy: -351.826348
where:
bonds (distance) C4'-P energy: -106.380
bonds (distance) P-C4' energy: -88.513
flat angles C4'-P-C4' energy: -87.899
flat angles P-C4'-P energy: -54.750
tors. eta vs tors. theta energy: -14.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -527.005905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.005905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.005905 (E_RNA)
where:
Base-Base interactions energy: -227.524
where: short stacking energy: -126.758
Base-Backbone interact. energy: 0.249
local terms energy: -299.730928
where:
bonds (distance) C4'-P energy: -84.419
bonds (distance) P-C4' energy: -89.693
flat angles C4'-P-C4' energy: -93.413
flat angles P-C4'-P energy: -45.505
tors. eta vs tors. theta energy: 13.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -2058.542086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.542086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.542086 (E_RNA)
where:
Base-Base interactions energy: -1442.555
where: short stacking energy: -593.958
Base-Backbone interact. energy: -4.630
local terms energy: -611.358070
where:
bonds (distance) C4'-P energy: -111.399
bonds (distance) P-C4' energy: -111.876
flat angles C4'-P-C4' energy: -124.506
flat angles P-C4'-P energy: -91.516
tors. eta vs tors. theta energy: -172.060
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: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -2037.433338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.433338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.433338 (E_RNA)
where:
Base-Base interactions energy: -1404.012
where: short stacking energy: -587.328
Base-Backbone interact. energy: -1.845
local terms energy: -631.576755
where:
bonds (distance) C4'-P energy: -112.402
bonds (distance) P-C4' energy: -105.818
flat angles C4'-P-C4' energy: -140.668
flat angles P-C4'-P energy: -99.428
tors. eta vs tors. theta energy: -173.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1948.291022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.291022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.291022 (E_RNA)
where:
Base-Base interactions energy: -1374.805
where: short stacking energy: -558.533
Base-Backbone interact. energy: -0.378
local terms energy: -573.108423
where:
bonds (distance) C4'-P energy: -106.182
bonds (distance) P-C4' energy: -113.130
flat angles C4'-P-C4' energy: -118.548
flat angles P-C4'-P energy: -81.733
tors. eta vs tors. theta energy: -153.515
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: 4, replica: 5
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1853.819916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.819916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.819916 (E_RNA)
where:
Base-Base interactions energy: -1286.150
where: short stacking energy: -553.910
Base-Backbone interact. energy: -2.940
local terms energy: -564.729611
where:
bonds (distance) C4'-P energy: -110.522
bonds (distance) P-C4' energy: -94.034
flat angles C4'-P-C4' energy: -128.497
flat angles P-C4'-P energy: -73.501
tors. eta vs tors. theta energy: -158.176
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: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1822.965760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.965760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.965760 (E_RNA)
where:
Base-Base interactions energy: -1261.107
where: short stacking energy: -548.714
Base-Backbone interact. energy: -1.788
local terms energy: -560.070599
where:
bonds (distance) C4'-P energy: -100.784
bonds (distance) P-C4' energy: -99.612
flat angles C4'-P-C4' energy: -119.821
flat angles P-C4'-P energy: -75.806
tors. eta vs tors. theta energy: -164.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1439.824992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.824992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.824992 (E_RNA)
where:
Base-Base interactions energy: -970.548
where: short stacking energy: -426.819
Base-Backbone interact. energy: -2.329
local terms energy: -466.948178
where:
bonds (distance) C4'-P energy: -89.587
bonds (distance) P-C4' energy: -110.124
flat angles C4'-P-C4' energy: -102.936
flat angles P-C4'-P energy: -58.263
tors. eta vs tors. theta energy: -106.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1307.653291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.653291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.653291 (E_RNA)
where:
Base-Base interactions energy: -866.653
where: short stacking energy: -382.753
Base-Backbone interact. energy: -1.950
local terms energy: -439.050720
where:
bonds (distance) C4'-P energy: -110.461
bonds (distance) P-C4' energy: -92.794
flat angles C4'-P-C4' energy: -98.630
flat angles P-C4'-P energy: -65.345
tors. eta vs tors. theta energy: -71.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -919.623993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.623993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.623993 (E_RNA)
where:
Base-Base interactions energy: -536.904
where: short stacking energy: -272.517
Base-Backbone interact. energy: -2.654
local terms energy: -380.065710
where:
bonds (distance) C4'-P energy: -80.762
bonds (distance) P-C4' energy: -106.943
flat angles C4'-P-C4' energy: -92.862
flat angles P-C4'-P energy: -42.370
tors. eta vs tors. theta energy: -57.128
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: 10
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -876.838974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.838974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.838974 (E_RNA)
where:
Base-Base interactions energy: -530.594
where: short stacking energy: -265.454
Base-Backbone interact. energy: 6.014
local terms energy: -352.258600
where:
bonds (distance) C4'-P energy: -93.603
bonds (distance) P-C4' energy: -96.580
flat angles C4'-P-C4' energy: -76.831
flat angles P-C4'-P energy: -48.563
tors. eta vs tors. theta energy: -36.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -531.423558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.423558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.423558 (E_RNA)
where:
Base-Base interactions energy: -219.897
where: short stacking energy: -124.385
Base-Backbone interact. energy: -0.228
local terms energy: -311.298107
where:
bonds (distance) C4'-P energy: -83.978
bonds (distance) P-C4' energy: -101.019
flat angles C4'-P-C4' energy: -90.572
flat angles P-C4'-P energy: -41.790
tors. eta vs tors. theta energy: 6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -2073.158482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.158482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.158482 (E_RNA)
where:
Base-Base interactions energy: -1481.955
where: short stacking energy: -590.932
Base-Backbone interact. energy: -4.372
local terms energy: -586.831635
where:
bonds (distance) C4'-P energy: -101.277
bonds (distance) P-C4' energy: -100.776
flat angles C4'-P-C4' energy: -126.818
flat angles P-C4'-P energy: -87.129
tors. eta vs tors. theta energy: -170.831
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: 9
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -2041.091736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.091736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.091736 (E_RNA)
where:
Base-Base interactions energy: -1447.690
where: short stacking energy: -592.358
Base-Backbone interact. energy: -1.749
local terms energy: -591.653657
where:
bonds (distance) C4'-P energy: -99.553
bonds (distance) P-C4' energy: -108.728
flat angles C4'-P-C4' energy: -129.844
flat angles P-C4'-P energy: -83.975
tors. eta vs tors. theta energy: -169.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1966.831291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.831291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.831291 (E_RNA)
where:
Base-Base interactions energy: -1329.348
where: short stacking energy: -547.195
Base-Backbone interact. energy: -4.730
local terms energy: -632.753308
where:
bonds (distance) C4'-P energy: -119.747
bonds (distance) P-C4' energy: -125.963
flat angles C4'-P-C4' energy: -125.688
flat angles P-C4'-P energy: -92.302
tors. eta vs tors. theta energy: -169.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1800.838049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.838049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.838049 (E_RNA)
where:
Base-Base interactions energy: -1236.170
where: short stacking energy: -522.655
Base-Backbone interact. energy: -1.091
local terms energy: -563.577009
where:
bonds (distance) C4'-P energy: -100.013
bonds (distance) P-C4' energy: -123.056
flat angles C4'-P-C4' energy: -124.837
flat angles P-C4'-P energy: -79.634
tors. eta vs tors. theta energy: -136.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1807.501569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.501569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.501569 (E_RNA)
where:
Base-Base interactions energy: -1221.139
where: short stacking energy: -530.824
Base-Backbone interact. energy: -3.323
local terms energy: -583.040052
where:
bonds (distance) C4'-P energy: -103.496
bonds (distance) P-C4' energy: -107.147
flat angles C4'-P-C4' energy: -130.698
flat angles P-C4'-P energy: -75.540
tors. eta vs tors. theta energy: -166.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1414.899642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.899642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.899642 (E_RNA)
where:
Base-Base interactions energy: -937.427
where: short stacking energy: -423.123
Base-Backbone interact. energy: -2.190
local terms energy: -475.283384
where:
bonds (distance) C4'-P energy: -93.924
bonds (distance) P-C4' energy: -97.733
flat angles C4'-P-C4' energy: -111.719
flat angles P-C4'-P energy: -73.651
tors. eta vs tors. theta energy: -98.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1290.128523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.128523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.128523 (E_RNA)
where:
Base-Base interactions energy: -850.777
where: short stacking energy: -384.562
Base-Backbone interact. energy: 0.127
local terms energy: -439.479194
where:
bonds (distance) C4'-P energy: -98.127
bonds (distance) P-C4' energy: -115.396
flat angles C4'-P-C4' energy: -87.560
flat angles P-C4'-P energy: -62.394
tors. eta vs tors. theta energy: -76.002
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: 276
Temperature: 1.250000
Total energy: -926.512900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.512900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.512900 (E_RNA)
where:
Base-Base interactions energy: -536.017
where: short stacking energy: -279.715
Base-Backbone interact. energy: -3.004
local terms energy: -387.492614
where:
bonds (distance) C4'-P energy: -92.107
bonds (distance) P-C4' energy: -101.231
flat angles C4'-P-C4' energy: -97.848
flat angles P-C4'-P energy: -58.372
tors. eta vs tors. theta energy: -37.935
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: 10
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -797.538917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.538917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.538917 (E_RNA)
where:
Base-Base interactions energy: -446.208
where: short stacking energy: -211.668
Base-Backbone interact. energy: -0.238
local terms energy: -351.092590
where:
bonds (distance) C4'-P energy: -89.644
bonds (distance) P-C4' energy: -104.109
flat angles C4'-P-C4' energy: -94.283
flat angles P-C4'-P energy: -41.461
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -499.207117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.207117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.207117 (E_RNA)
where:
Base-Base interactions energy: -221.458
where: short stacking energy: -133.891
Base-Backbone interact. energy: -0.890
local terms energy: -276.858521
where:
bonds (distance) C4'-P energy: -70.427
bonds (distance) P-C4' energy: -95.080
flat angles C4'-P-C4' energy: -71.352
flat angles P-C4'-P energy: -58.546
tors. eta vs tors. theta energy: 18.546
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: 8
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -2064.945208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.945208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.945208 (E_RNA)
where:
Base-Base interactions energy: -1418.996
where: short stacking energy: -575.660
Base-Backbone interact. energy: -5.348
local terms energy: -640.600776
where:
bonds (distance) C4'-P energy: -129.670
bonds (distance) P-C4' energy: -107.771
flat angles C4'-P-C4' energy: -138.198
flat angles P-C4'-P energy: -86.307
tors. eta vs tors. theta energy: -178.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -2002.322156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.322156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.322156 (E_RNA)
where:
Base-Base interactions energy: -1395.837
where: short stacking energy: -564.479
Base-Backbone interact. energy: -3.813
local terms energy: -602.671536
where:
bonds (distance) C4'-P energy: -102.453
bonds (distance) P-C4' energy: -124.549
flat angles C4'-P-C4' energy: -127.099
flat angles P-C4'-P energy: -79.098
tors. eta vs tors. theta energy: -169.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -2018.646210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.646210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.646210 (E_RNA)
where:
Base-Base interactions energy: -1430.484
where: short stacking energy: -597.437
Base-Backbone interact. energy: -0.508
local terms energy: -587.654765
where:
bonds (distance) C4'-P energy: -107.925
bonds (distance) P-C4' energy: -103.666
flat angles C4'-P-C4' energy: -127.090
flat angles P-C4'-P energy: -76.619
tors. eta vs tors. theta energy: -172.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1765.360413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.360413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.360413 (E_RNA)
where:
Base-Base interactions energy: -1225.552
where: short stacking energy: -494.204
Base-Backbone interact. energy: -0.023
local terms energy: -539.785538
where:
bonds (distance) C4'-P energy: -98.323
bonds (distance) P-C4' energy: -122.477
flat angles C4'-P-C4' energy: -116.487
flat angles P-C4'-P energy: -76.430
tors. eta vs tors. theta energy: -126.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1832.828726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.828726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.828726 (E_RNA)
where:
Base-Base interactions energy: -1264.803
where: short stacking energy: -530.082
Base-Backbone interact. energy: -0.364
local terms energy: -567.662014
where:
bonds (distance) C4'-P energy: -99.499
bonds (distance) P-C4' energy: -111.608
flat angles C4'-P-C4' energy: -127.804
flat angles P-C4'-P energy: -66.420
tors. eta vs tors. theta energy: -162.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1444.998371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.998371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.998371 (E_RNA)
where:
Base-Base interactions energy: -945.761
where: short stacking energy: -421.212
Base-Backbone interact. energy: -3.084
local terms energy: -496.153409
where:
bonds (distance) C4'-P energy: -103.441
bonds (distance) P-C4' energy: -97.506
flat angles C4'-P-C4' energy: -105.910
flat angles P-C4'-P energy: -78.279
tors. eta vs tors. theta energy: -111.016
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: 1
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1309.202766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.202766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.202766 (E_RNA)
where:
Base-Base interactions energy: -844.241
where: short stacking energy: -357.494
Base-Backbone interact. energy: -2.075
local terms energy: -462.886329
where:
bonds (distance) C4'-P energy: -107.359
bonds (distance) P-C4' energy: -101.010
flat angles C4'-P-C4' energy: -120.674
flat angles P-C4'-P energy: -52.792
tors. eta vs tors. theta energy: -81.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -942.795257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.795257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.795257 (E_RNA)
where:
Base-Base interactions energy: -525.734
where: short stacking energy: -251.346
Base-Backbone interact. energy: -3.237
local terms energy: -413.823566
where:
bonds (distance) C4'-P energy: -96.639
bonds (distance) P-C4' energy: -102.366
flat angles C4'-P-C4' energy: -89.434
flat angles P-C4'-P energy: -80.829
tors. eta vs tors. theta energy: -44.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -777.238400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.238400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.238400 (E_RNA)
where:
Base-Base interactions energy: -443.060
where: short stacking energy: -192.404
Base-Backbone interact. energy: -1.526
local terms energy: -332.652432
where:
bonds (distance) C4'-P energy: -102.901
bonds (distance) P-C4' energy: -89.229
flat angles C4'-P-C4' energy: -79.145
flat angles P-C4'-P energy: -42.298
tors. eta vs tors. theta energy: -19.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -542.338115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -542.338115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -542.338115 (E_RNA)
where:
Base-Base interactions energy: -251.275
where: short stacking energy: -147.910
Base-Backbone interact. energy: -2.750
local terms energy: -288.313330
where:
bonds (distance) C4'-P energy: -86.672
bonds (distance) P-C4' energy: -87.774
flat angles C4'-P-C4' energy: -77.092
flat angles P-C4'-P energy: -51.025
tors. eta vs tors. theta energy: 14.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -2059.854226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.854226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.854226 (E_RNA)
where:
Base-Base interactions energy: -1410.727
where: short stacking energy: -590.171
Base-Backbone interact. energy: -3.992
local terms energy: -645.135973
where:
bonds (distance) C4'-P energy: -122.920
bonds (distance) P-C4' energy: -119.156
flat angles C4'-P-C4' energy: -140.486
flat angles P-C4'-P energy: -86.844
tors. eta vs tors. theta energy: -175.730
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: 278
Temperature: 0.950000
Total energy: -1987.276835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.276835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.276835 (E_RNA)
where:
Base-Base interactions energy: -1366.781
where: short stacking energy: -572.485
Base-Backbone interact. energy: 1.068
local terms energy: -621.563479
where:
bonds (distance) C4'-P energy: -114.145
bonds (distance) P-C4' energy: -116.719
flat angles C4'-P-C4' energy: -137.430
flat angles P-C4'-P energy: -87.526
tors. eta vs tors. theta energy: -165.743
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: 9
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -2003.515477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.515477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.515477 (E_RNA)
where:
Base-Base interactions energy: -1405.459
where: short stacking energy: -559.426
Base-Backbone interact. energy: 4.462
local terms energy: -602.518813
where:
bonds (distance) C4'-P energy: -117.549
bonds (distance) P-C4' energy: -114.800
flat angles C4'-P-C4' energy: -127.193
flat angles P-C4'-P energy: -84.202
tors. eta vs tors. theta energy: -158.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1832.035795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.035795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.035795 (E_RNA)
where:
Base-Base interactions energy: -1256.429
where: short stacking energy: -552.419
Base-Backbone interact. energy: -3.268
local terms energy: -572.338797
where:
bonds (distance) C4'-P energy: -104.879
bonds (distance) P-C4' energy: -105.069
flat angles C4'-P-C4' energy: -125.852
flat angles P-C4'-P energy: -80.348
tors. eta vs tors. theta energy: -156.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1822.866249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.866249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.866249 (E_RNA)
where:
Base-Base interactions energy: -1251.510
where: short stacking energy: -527.691
Base-Backbone interact. energy: -2.612
local terms energy: -568.744333
where:
bonds (distance) C4'-P energy: -100.831
bonds (distance) P-C4' energy: -111.780
flat angles C4'-P-C4' energy: -108.665
flat angles P-C4'-P energy: -87.807
tors. eta vs tors. theta energy: -159.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1464.825052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.825052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.825052 (E_RNA)
where:
Base-Base interactions energy: -960.543
where: short stacking energy: -440.883
Base-Backbone interact. energy: -1.871
local terms energy: -502.410643
where:
bonds (distance) C4'-P energy: -103.862
bonds (distance) P-C4' energy: -108.069
flat angles C4'-P-C4' energy: -110.717
flat angles P-C4'-P energy: -73.532
tors. eta vs tors. theta energy: -106.231
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: 1
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1294.000813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.000813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.000813 (E_RNA)
where:
Base-Base interactions energy: -825.918
where: short stacking energy: -351.052
Base-Backbone interact. energy: 0.296
local terms energy: -468.379186
where:
bonds (distance) C4'-P energy: -100.361
bonds (distance) P-C4' energy: -106.751
flat angles C4'-P-C4' energy: -114.972
flat angles P-C4'-P energy: -70.062
tors. eta vs tors. theta energy: -76.233
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: 278
Temperature: 1.250000
Total energy: -998.218121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.218121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.218121 (E_RNA)
where:
Base-Base interactions energy: -558.374
where: short stacking energy: -252.828
Base-Backbone interact. energy: -3.774
local terms energy: -436.070023
where:
bonds (distance) C4'-P energy: -106.911
bonds (distance) P-C4' energy: -102.941
flat angles C4'-P-C4' energy: -93.172
flat angles P-C4'-P energy: -74.043
tors. eta vs tors. theta energy: -59.003
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: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -802.283882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.283882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.283882 (E_RNA)
where:
Base-Base interactions energy: -442.091
where: short stacking energy: -211.358
Base-Backbone interact. energy: 5.462
local terms energy: -365.654575
where:
bonds (distance) C4'-P energy: -99.723
bonds (distance) P-C4' energy: -111.672
flat angles C4'-P-C4' energy: -82.576
flat angles P-C4'-P energy: -46.598
tors. eta vs tors. theta energy: -25.085
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: 2
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -540.938185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.938185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.938185 (E_RNA)
where:
Base-Base interactions energy: -260.368
where: short stacking energy: -158.166
Base-Backbone interact. energy: -0.288
local terms energy: -280.281815
where:
bonds (distance) C4'-P energy: -86.793
bonds (distance) P-C4' energy: -110.161
flat angles C4'-P-C4' energy: -80.347
flat angles P-C4'-P energy: -26.832
tors. eta vs tors. theta energy: 23.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -2069.443484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.443484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.443484 (E_RNA)
where:
Base-Base interactions energy: -1433.558
where: short stacking energy: -607.463
Base-Backbone interact. energy: -4.887
local terms energy: -630.997999
where:
bonds (distance) C4'-P energy: -111.155
bonds (distance) P-C4' energy: -114.798
flat angles C4'-P-C4' energy: -137.986
flat angles P-C4'-P energy: -89.878
tors. eta vs tors. theta energy: -177.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -2017.208289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.208289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.208289 (E_RNA)
where:
Base-Base interactions energy: -1408.791
where: short stacking energy: -595.153
Base-Backbone interact. energy: -2.913
local terms energy: -605.504863
where:
bonds (distance) C4'-P energy: -100.271
bonds (distance) P-C4' energy: -124.755
flat angles C4'-P-C4' energy: -132.563
flat angles P-C4'-P energy: -83.607
tors. eta vs tors. theta energy: -164.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1994.919680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.919680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.919680 (E_RNA)
where:
Base-Base interactions energy: -1399.877
where: short stacking energy: -586.104
Base-Backbone interact. energy: -1.975
local terms energy: -593.067217
where:
bonds (distance) C4'-P energy: -110.836
bonds (distance) P-C4' energy: -105.771
flat angles C4'-P-C4' energy: -124.055
flat angles P-C4'-P energy: -81.340
tors. eta vs tors. theta energy: -171.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1867.491225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.491225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.491225 (E_RNA)
where:
Base-Base interactions energy: -1290.136
where: short stacking energy: -562.607
Base-Backbone interact. energy: -1.897
local terms energy: -575.458093
where:
bonds (distance) C4'-P energy: -106.987
bonds (distance) P-C4' energy: -99.070
flat angles C4'-P-C4' energy: -127.671
flat angles P-C4'-P energy: -78.297
tors. eta vs tors. theta energy: -163.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1751.220217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.220217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.220217 (E_RNA)
where:
Base-Base interactions energy: -1196.044
where: short stacking energy: -522.353
Base-Backbone interact. energy: -0.091
local terms energy: -555.084796
where:
bonds (distance) C4'-P energy: -95.573
bonds (distance) P-C4' energy: -113.086
flat angles C4'-P-C4' energy: -118.029
flat angles P-C4'-P energy: -82.114
tors. eta vs tors. theta energy: -146.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1371.600411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.600411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.600411 (E_RNA)
where:
Base-Base interactions energy: -912.842
where: short stacking energy: -401.716
Base-Backbone interact. energy: -1.685
local terms energy: -457.073833
where:
bonds (distance) C4'-P energy: -99.737
bonds (distance) P-C4' energy: -97.755
flat angles C4'-P-C4' energy: -105.465
flat angles P-C4'-P energy: -74.155
tors. eta vs tors. theta energy: -79.963
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: 1
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1295.047370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.047370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.047370 (E_RNA)
where:
Base-Base interactions energy: -867.263
where: short stacking energy: -373.418
Base-Backbone interact. energy: -5.910
local terms energy: -421.874138
where:
bonds (distance) C4'-P energy: -103.832
bonds (distance) P-C4' energy: -91.223
flat angles C4'-P-C4' energy: -93.748
flat angles P-C4'-P energy: -56.231
tors. eta vs tors. theta energy: -76.840
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: 4
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -969.881614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.881614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.881614 (E_RNA)
where:
Base-Base interactions energy: -580.370
where: short stacking energy: -279.803
Base-Backbone interact. energy: -3.742
local terms energy: -385.769426
where:
bonds (distance) C4'-P energy: -108.481
bonds (distance) P-C4' energy: -92.128
flat angles C4'-P-C4' energy: -84.229
flat angles P-C4'-P energy: -64.223
tors. eta vs tors. theta energy: -36.709
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: 10
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -738.076166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.076166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.076166 (E_RNA)
where:
Base-Base interactions energy: -367.736
where: short stacking energy: -190.396
Base-Backbone interact. energy: -1.924
local terms energy: -368.415979
where:
bonds (distance) C4'-P energy: -111.041
bonds (distance) P-C4' energy: -95.711
flat angles C4'-P-C4' energy: -100.218
flat angles P-C4'-P energy: -60.110
tors. eta vs tors. theta energy: -1.336
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: 2
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -523.720463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.720463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.720463 (E_RNA)
where:
Base-Base interactions energy: -200.164
where: short stacking energy: -145.838
Base-Backbone interact. energy: 1.902
local terms energy: -325.457727
where:
bonds (distance) C4'-P energy: -90.897
bonds (distance) P-C4' energy: -106.341
flat angles C4'-P-C4' energy: -101.949
flat angles P-C4'-P energy: -35.280
tors. eta vs tors. theta energy: 9.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -2075.634418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.634418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.634418 (E_RNA)
where:
Base-Base interactions energy: -1436.970
where: short stacking energy: -609.395
Base-Backbone interact. energy: -0.818
local terms energy: -637.846500
where:
bonds (distance) C4'-P energy: -105.631
bonds (distance) P-C4' energy: -112.997
flat angles C4'-P-C4' energy: -148.305
flat angles P-C4'-P energy: -90.741
tors. eta vs tors. theta energy: -180.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -2026.188205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.188205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.188205 (E_RNA)
where:
Base-Base interactions energy: -1398.802
where: short stacking energy: -593.691
Base-Backbone interact. energy: -2.391
local terms energy: -624.994815
where:
bonds (distance) C4'-P energy: -120.787
bonds (distance) P-C4' energy: -112.525
flat angles C4'-P-C4' energy: -135.426
flat angles P-C4'-P energy: -92.008
tors. eta vs tors. theta energy: -164.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -2021.662463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.662463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.662463 (E_RNA)
where:
Base-Base interactions energy: -1418.265
where: short stacking energy: -594.015
Base-Backbone interact. energy: 2.023
local terms energy: -605.420222
where:
bonds (distance) C4'-P energy: -112.296
bonds (distance) P-C4' energy: -109.778
flat angles C4'-P-C4' energy: -133.098
flat angles P-C4'-P energy: -83.151
tors. eta vs tors. theta energy: -167.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1852.697500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.697500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.697500 (E_RNA)
where:
Base-Base interactions energy: -1278.897
where: short stacking energy: -524.223
Base-Backbone interact. energy: -0.275
local terms energy: -573.525368
where:
bonds (distance) C4'-P energy: -94.044
bonds (distance) P-C4' energy: -97.618
flat angles C4'-P-C4' energy: -120.753
flat angles P-C4'-P energy: -90.381
tors. eta vs tors. theta energy: -170.728
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: 5
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -1708.818938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.818938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.818938 (E_RNA)
where:
Base-Base interactions energy: -1177.366
where: short stacking energy: -525.157
Base-Backbone interact. energy: 0.447
local terms energy: -531.899624
where:
bonds (distance) C4'-P energy: -107.759
bonds (distance) P-C4' energy: -102.460
flat angles C4'-P-C4' energy: -114.082
flat angles P-C4'-P energy: -68.329
tors. eta vs tors. theta energy: -139.270
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: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1372.689381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.689381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.689381 (E_RNA)
where:
Base-Base interactions energy: -885.228
where: short stacking energy: -392.251
Base-Backbone interact. energy: -0.305
local terms energy: -487.156715
where:
bonds (distance) C4'-P energy: -93.002
bonds (distance) P-C4' energy: -109.696
flat angles C4'-P-C4' energy: -117.281
flat angles P-C4'-P energy: -72.059
tors. eta vs tors. theta energy: -95.118
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: 7, replica: 1
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1338.360135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.360135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.360135 (E_RNA)
where:
Base-Base interactions energy: -898.997
where: short stacking energy: -364.858
Base-Backbone interact. energy: -3.696
local terms energy: -435.667515
where:
bonds (distance) C4'-P energy: -89.661
bonds (distance) P-C4' energy: -105.788
flat angles C4'-P-C4' energy: -111.630
flat angles P-C4'-P energy: -52.351
tors. eta vs tors. theta energy: -76.237
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: 280
Temperature: 1.250000
Total energy: -1007.567359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.567359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.567359 (E_RNA)
where:
Base-Base interactions energy: -599.870
where: short stacking energy: -313.886
Base-Backbone interact. energy: 2.594
local terms energy: -410.291145
where:
bonds (distance) C4'-P energy: -93.242
bonds (distance) P-C4' energy: -84.623
flat angles C4'-P-C4' energy: -107.113
flat angles P-C4'-P energy: -64.865
tors. eta vs tors. theta energy: -60.449
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: 10
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -721.332058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.332058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.332058 (E_RNA)
where:
Base-Base interactions energy: -378.084
where: short stacking energy: -208.949
Base-Backbone interact. energy: -2.490
local terms energy: -340.758017
where:
bonds (distance) C4'-P energy: -89.065
bonds (distance) P-C4' energy: -98.414
flat angles C4'-P-C4' energy: -90.196
flat angles P-C4'-P energy: -53.438
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -514.748453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.748453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.748453 (E_RNA)
where:
Base-Base interactions energy: -214.849
where: short stacking energy: -144.083
Base-Backbone interact. energy: 0.694
local terms energy: -300.593878
where:
bonds (distance) C4'-P energy: -96.229
bonds (distance) P-C4' energy: -86.237
flat angles C4'-P-C4' energy: -82.286
flat angles P-C4'-P energy: -43.503
tors. eta vs tors. theta energy: 7.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -2080.797816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.797816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.797816 (E_RNA)
where:
Base-Base interactions energy: -1445.135
where: short stacking energy: -623.847
Base-Backbone interact. energy: -2.320
local terms energy: -633.342977
where:
bonds (distance) C4'-P energy: -122.464
bonds (distance) P-C4' energy: -115.039
flat angles C4'-P-C4' energy: -121.456
flat angles P-C4'-P energy: -94.924
tors. eta vs tors. theta energy: -179.460
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: 9
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -2072.246596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.246596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.246596 (E_RNA)
where:
Base-Base interactions energy: -1475.231
where: short stacking energy: -597.203
Base-Backbone interact. energy: -1.997
local terms energy: -595.018951
where:
bonds (distance) C4'-P energy: -103.566
bonds (distance) P-C4' energy: -102.410
flat angles C4'-P-C4' energy: -135.820
flat angles P-C4'-P energy: -85.991
tors. eta vs tors. theta energy: -167.231
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: 281
Temperature: 1.000000
Total energy: -1964.545154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.545154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.545154 (E_RNA)
where:
Base-Base interactions energy: -1386.305
where: short stacking energy: -578.870
Base-Backbone interact. energy: -3.594
local terms energy: -574.645700
where:
bonds (distance) C4'-P energy: -87.523
bonds (distance) P-C4' energy: -102.602
flat angles C4'-P-C4' energy: -135.062
flat angles P-C4'-P energy: -82.818
tors. eta vs tors. theta energy: -166.641
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: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1876.346067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.346067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.346067 (E_RNA)
where:
Base-Base interactions energy: -1294.422
where: short stacking energy: -553.800
Base-Backbone interact. energy: -2.753
local terms energy: -579.171189
where:
bonds (distance) C4'-P energy: -100.588
bonds (distance) P-C4' energy: -117.552
flat angles C4'-P-C4' energy: -119.574
flat angles P-C4'-P energy: -70.581
tors. eta vs tors. theta energy: -170.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1704.181610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.181610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.181610 (E_RNA)
where:
Base-Base interactions energy: -1155.181
where: short stacking energy: -492.862
Base-Backbone interact. energy: -1.213
local terms energy: -547.787351
where:
bonds (distance) C4'-P energy: -104.029
bonds (distance) P-C4' energy: -117.224
flat angles C4'-P-C4' energy: -117.494
flat angles P-C4'-P energy: -76.072
tors. eta vs tors. theta energy: -132.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1426.102628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.102628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.102628 (E_RNA)
where:
Base-Base interactions energy: -932.113
where: short stacking energy: -389.831
Base-Backbone interact. energy: -1.175
local terms energy: -492.814570
where:
bonds (distance) C4'-P energy: -114.329
bonds (distance) P-C4' energy: -105.114
flat angles C4'-P-C4' energy: -114.559
flat angles P-C4'-P energy: -63.539
tors. eta vs tors. theta energy: -95.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1264.415119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.415119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.415119 (E_RNA)
where:
Base-Base interactions energy: -804.606
where: short stacking energy: -383.818
Base-Backbone interact. energy: 0.401
local terms energy: -460.209781
where:
bonds (distance) C4'-P energy: -90.798
bonds (distance) P-C4' energy: -100.786
flat angles C4'-P-C4' energy: -85.323
flat angles P-C4'-P energy: -81.901
tors. eta vs tors. theta energy: -101.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -986.593309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.593309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.593309 (E_RNA)
where:
Base-Base interactions energy: -596.765
where: short stacking energy: -283.907
Base-Backbone interact. energy: 8.262
local terms energy: -398.090863
where:
bonds (distance) C4'-P energy: -88.117
bonds (distance) P-C4' energy: -95.285
flat angles C4'-P-C4' energy: -92.243
flat angles P-C4'-P energy: -67.721
tors. eta vs tors. theta energy: -54.725
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: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -748.966235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.966235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.966235 (E_RNA)
where:
Base-Base interactions energy: -395.015
where: short stacking energy: -206.574
Base-Backbone interact. energy: -1.900
local terms energy: -352.051077
where:
bonds (distance) C4'-P energy: -83.181
bonds (distance) P-C4' energy: -114.843
flat angles C4'-P-C4' energy: -87.490
flat angles P-C4'-P energy: -50.355
tors. eta vs tors. theta energy: -16.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -514.532765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.532765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.532765 (E_RNA)
where:
Base-Base interactions energy: -210.725
where: short stacking energy: -144.045
Base-Backbone interact. energy: -1.736
local terms energy: -302.071071
where:
bonds (distance) C4'-P energy: -88.680
bonds (distance) P-C4' energy: -110.527
flat angles C4'-P-C4' energy: -82.025
flat angles P-C4'-P energy: -44.447
tors. eta vs tors. theta energy: 23.607
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: 8
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -2076.833003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.833003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.833003 (E_RNA)
where:
Base-Base interactions energy: -1431.382
where: short stacking energy: -597.409
Base-Backbone interact. energy: -2.756
local terms energy: -642.695338
where:
bonds (distance) C4'-P energy: -117.806
bonds (distance) P-C4' energy: -122.240
flat angles C4'-P-C4' energy: -143.938
flat angles P-C4'-P energy: -79.750
tors. eta vs tors. theta energy: -178.961
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: 9
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -2083.269339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.269339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.269339 (E_RNA)
where:
Base-Base interactions energy: -1452.721
where: short stacking energy: -584.162
Base-Backbone interact. energy: -3.354
local terms energy: -627.194353
where:
bonds (distance) C4'-P energy: -124.867
bonds (distance) P-C4' energy: -113.778
flat angles C4'-P-C4' energy: -124.760
flat angles P-C4'-P energy: -85.239
tors. eta vs tors. theta energy: -178.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1889.194347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.194347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.194347 (E_RNA)
where:
Base-Base interactions energy: -1311.390
where: short stacking energy: -561.514
Base-Backbone interact. energy: -2.050
local terms energy: -575.754343
where:
bonds (distance) C4'-P energy: -108.088
bonds (distance) P-C4' energy: -107.604
flat angles C4'-P-C4' energy: -122.165
flat angles P-C4'-P energy: -68.319
tors. eta vs tors. theta energy: -169.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1859.651676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.651676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.651676 (E_RNA)
where:
Base-Base interactions energy: -1303.292
where: short stacking energy: -541.700
Base-Backbone interact. energy: -1.851
local terms energy: -554.508841
where:
bonds (distance) C4'-P energy: -80.432
bonds (distance) P-C4' energy: -108.111
flat angles C4'-P-C4' energy: -125.894
flat angles P-C4'-P energy: -73.809
tors. eta vs tors. theta energy: -166.263
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: 5
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1766.385934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.385934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.385934 (E_RNA)
where:
Base-Base interactions energy: -1198.956
where: short stacking energy: -525.030
Base-Backbone interact. energy: -4.619
local terms energy: -562.810594
where:
bonds (distance) C4'-P energy: -105.227
bonds (distance) P-C4' energy: -104.497
flat angles C4'-P-C4' energy: -123.952
flat angles P-C4'-P energy: -79.341
tors. eta vs tors. theta energy: -149.794
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: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1466.464653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.464653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.464653 (E_RNA)
where:
Base-Base interactions energy: -997.891
where: short stacking energy: -429.345
Base-Backbone interact. energy: -2.229
local terms energy: -466.344609
where:
bonds (distance) C4'-P energy: -98.965
bonds (distance) P-C4' energy: -98.003
flat angles C4'-P-C4' energy: -100.998
flat angles P-C4'-P energy: -78.706
tors. eta vs tors. theta energy: -89.672
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: 3
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1325.484568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.484568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.484568 (E_RNA)
where:
Base-Base interactions energy: -862.135
where: short stacking energy: -394.165
Base-Backbone interact. energy: -1.434
local terms energy: -461.914952
where:
bonds (distance) C4'-P energy: -93.595
bonds (distance) P-C4' energy: -103.028
flat angles C4'-P-C4' energy: -94.577
flat angles P-C4'-P energy: -72.640
tors. eta vs tors. theta energy: -98.075
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: 282
Temperature: 1.250000
Total energy: -955.610192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.610192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.610192 (E_RNA)
where:
Base-Base interactions energy: -579.411
where: short stacking energy: -265.570
Base-Backbone interact. energy: 0.051
local terms energy: -376.250406
where:
bonds (distance) C4'-P energy: -72.162
bonds (distance) P-C4' energy: -110.032
flat angles C4'-P-C4' energy: -104.549
flat angles P-C4'-P energy: -65.790
tors. eta vs tors. theta energy: -23.718
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: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -747.039354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.039354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.039354 (E_RNA)
where:
Base-Base interactions energy: -404.711
where: short stacking energy: -203.662
Base-Backbone interact. energy: 1.545
local terms energy: -343.872643
where:
bonds (distance) C4'-P energy: -106.290
bonds (distance) P-C4' energy: -97.902
flat angles C4'-P-C4' energy: -85.188
flat angles P-C4'-P energy: -51.504
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: 10, replica: 2
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -498.215839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.215839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.215839 (E_RNA)
where:
Base-Base interactions energy: -232.710
where: short stacking energy: -153.527
Base-Backbone interact. energy: 1.386
local terms energy: -266.891675
where:
bonds (distance) C4'-P energy: -84.837
bonds (distance) P-C4' energy: -91.247
flat angles C4'-P-C4' energy: -69.410
flat angles P-C4'-P energy: -43.618
tors. eta vs tors. theta energy: 22.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -2070.712187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.712187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.712187 (E_RNA)
where:
Base-Base interactions energy: -1433.132
where: short stacking energy: -585.241
Base-Backbone interact. energy: -1.996
local terms energy: -635.584341
where:
bonds (distance) C4'-P energy: -116.853
bonds (distance) P-C4' energy: -123.237
flat angles C4'-P-C4' energy: -139.333
flat angles P-C4'-P energy: -81.798
tors. eta vs tors. theta energy: -174.364
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: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -2058.956912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.956912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.956912 (E_RNA)
where:
Base-Base interactions energy: -1441.854
where: short stacking energy: -581.075
Base-Backbone interact. energy: -3.329
local terms energy: -613.774015
where:
bonds (distance) C4'-P energy: -118.674
bonds (distance) P-C4' energy: -113.497
flat angles C4'-P-C4' energy: -123.413
flat angles P-C4'-P energy: -91.964
tors. eta vs tors. theta energy: -166.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1897.180038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.180038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.180038 (E_RNA)
where:
Base-Base interactions energy: -1283.175
where: short stacking energy: -576.170
Base-Backbone interact. energy: -1.910
local terms energy: -612.094603
where:
bonds (distance) C4'-P energy: -115.971
bonds (distance) P-C4' energy: -108.301
flat angles C4'-P-C4' energy: -128.155
flat angles P-C4'-P energy: -83.234
tors. eta vs tors. theta energy: -176.433
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: 283
Temperature: 1.050000
Total energy: -1851.459170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.459170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.459170 (E_RNA)
where:
Base-Base interactions energy: -1302.757
where: short stacking energy: -548.134
Base-Backbone interact. energy: -2.100
local terms energy: -546.601893
where:
bonds (distance) C4'-P energy: -101.687
bonds (distance) P-C4' energy: -106.136
flat angles C4'-P-C4' energy: -115.247
flat angles P-C4'-P energy: -68.041
tors. eta vs tors. theta energy: -155.491
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: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1731.924158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.924158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.924158 (E_RNA)
where:
Base-Base interactions energy: -1210.487
where: short stacking energy: -536.637
Base-Backbone interact. energy: -0.540
local terms energy: -520.897310
where:
bonds (distance) C4'-P energy: -93.160
bonds (distance) P-C4' energy: -82.863
flat angles C4'-P-C4' energy: -111.550
flat angles P-C4'-P energy: -84.713
tors. eta vs tors. theta energy: -148.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1472.507763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.507763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.507763 (E_RNA)
where:
Base-Base interactions energy: -997.718
where: short stacking energy: -432.711
Base-Backbone interact. energy: -1.201
local terms energy: -473.588744
where:
bonds (distance) C4'-P energy: -91.023
bonds (distance) P-C4' energy: -107.633
flat angles C4'-P-C4' energy: -102.928
flat angles P-C4'-P energy: -85.995
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: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1322.311763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.311763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.311763 (E_RNA)
where:
Base-Base interactions energy: -846.286
where: short stacking energy: -374.541
Base-Backbone interact. energy: -2.874
local terms energy: -473.151502
where:
bonds (distance) C4'-P energy: -94.608
bonds (distance) P-C4' energy: -106.427
flat angles C4'-P-C4' energy: -103.426
flat angles P-C4'-P energy: -62.749
tors. eta vs tors. theta energy: -105.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -940.608016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.608016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.608016 (E_RNA)
where:
Base-Base interactions energy: -545.164
where: short stacking energy: -260.938
Base-Backbone interact. energy: 1.321
local terms energy: -396.765406
where:
bonds (distance) C4'-P energy: -94.745
bonds (distance) P-C4' energy: -102.157
flat angles C4'-P-C4' energy: -102.410
flat angles P-C4'-P energy: -61.342
tors. eta vs tors. theta energy: -36.112
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: 10
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -787.190508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.190508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.190508 (E_RNA)
where:
Base-Base interactions energy: -433.666
where: short stacking energy: -220.234
Base-Backbone interact. energy: 3.176
local terms energy: -356.700728
where:
bonds (distance) C4'-P energy: -94.338
bonds (distance) P-C4' energy: -91.622
flat angles C4'-P-C4' energy: -89.578
flat angles P-C4'-P energy: -54.265
tors. eta vs tors. theta energy: -26.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -499.331822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.331822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.331822 (E_RNA)
where:
Base-Base interactions energy: -213.100
where: short stacking energy: -128.177
Base-Backbone interact. energy: 2.961
local terms energy: -289.193566
where:
bonds (distance) C4'-P energy: -101.237
bonds (distance) P-C4' energy: -85.882
flat angles C4'-P-C4' energy: -74.725
flat angles P-C4'-P energy: -53.128
tors. eta vs tors. theta energy: 25.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -2065.565588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.565588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.565588 (E_RNA)
where:
Base-Base interactions energy: -1438.831
where: short stacking energy: -589.406
Base-Backbone interact. energy: -4.721
local terms energy: -622.012993
where:
bonds (distance) C4'-P energy: -113.190
bonds (distance) P-C4' energy: -121.760
flat angles C4'-P-C4' energy: -132.251
flat angles P-C4'-P energy: -82.013
tors. eta vs tors. theta energy: -172.799
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: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -2055.039393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2055.039393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2055.039393 (E_RNA)
where:
Base-Base interactions energy: -1446.660
where: short stacking energy: -602.350
Base-Backbone interact. energy: 0.097
local terms energy: -608.475705
where:
bonds (distance) C4'-P energy: -111.223
bonds (distance) P-C4' energy: -113.218
flat angles C4'-P-C4' energy: -135.795
flat angles P-C4'-P energy: -83.430
tors. eta vs tors. theta energy: -164.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1910.700133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.700133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.700133 (E_RNA)
where:
Base-Base interactions energy: -1303.699
where: short stacking energy: -587.629
Base-Backbone interact. energy: -0.455
local terms energy: -606.545689
where:
bonds (distance) C4'-P energy: -103.815
bonds (distance) P-C4' energy: -120.393
flat angles C4'-P-C4' energy: -122.984
flat angles P-C4'-P energy: -88.111
tors. eta vs tors. theta energy: -171.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1844.476407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.476407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.476407 (E_RNA)
where:
Base-Base interactions energy: -1279.035
where: short stacking energy: -536.093
Base-Backbone interact. energy: -0.126
local terms energy: -565.315958
where:
bonds (distance) C4'-P energy: -85.803
bonds (distance) P-C4' energy: -111.971
flat angles C4'-P-C4' energy: -132.022
flat angles P-C4'-P energy: -72.406
tors. eta vs tors. theta energy: -163.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1682.980798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.980798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.980798 (E_RNA)
where:
Base-Base interactions energy: -1163.902
where: short stacking energy: -474.719
Base-Backbone interact. energy: -2.052
local terms energy: -517.026557
where:
bonds (distance) C4'-P energy: -95.608
bonds (distance) P-C4' energy: -112.464
flat angles C4'-P-C4' energy: -122.793
flat angles P-C4'-P energy: -60.539
tors. eta vs tors. theta energy: -125.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1490.121545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.121545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.121545 (E_RNA)
where:
Base-Base interactions energy: -979.364
where: short stacking energy: -410.826
Base-Backbone interact. energy: -0.539
local terms energy: -510.218513
where:
bonds (distance) C4'-P energy: -106.964
bonds (distance) P-C4' energy: -112.791
flat angles C4'-P-C4' energy: -107.534
flat angles P-C4'-P energy: -70.816
tors. eta vs tors. theta energy: -112.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1372.407667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.407667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.407667 (E_RNA)
where:
Base-Base interactions energy: -905.381
where: short stacking energy: -412.617
Base-Backbone interact. energy: 0.081
local terms energy: -467.108076
where:
bonds (distance) C4'-P energy: -96.099
bonds (distance) P-C4' energy: -91.767
flat angles C4'-P-C4' energy: -99.843
flat angles P-C4'-P energy: -68.877
tors. eta vs tors. theta energy: -110.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -968.813193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.813193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.813193 (E_RNA)
where:
Base-Base interactions energy: -596.168
where: short stacking energy: -287.047
Base-Backbone interact. energy: 0.458
local terms energy: -373.102912
where:
bonds (distance) C4'-P energy: -98.510
bonds (distance) P-C4' energy: -78.304
flat angles C4'-P-C4' energy: -77.894
flat angles P-C4'-P energy: -59.894
tors. eta vs tors. theta energy: -58.501
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: 10
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -888.421328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.421328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.421328 (E_RNA)
where:
Base-Base interactions energy: -526.359
where: short stacking energy: -253.493
Base-Backbone interact. energy: -1.700
local terms energy: -360.362174
where:
bonds (distance) C4'-P energy: -91.088
bonds (distance) P-C4' energy: -91.705
flat angles C4'-P-C4' energy: -82.450
flat angles P-C4'-P energy: -63.240
tors. eta vs tors. theta energy: -31.880
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: 2
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -523.924796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.924796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.924796 (E_RNA)
where:
Base-Base interactions energy: -215.897
where: short stacking energy: -140.381
Base-Backbone interact. energy: -0.394
local terms energy: -307.633831
where:
bonds (distance) C4'-P energy: -85.252
bonds (distance) P-C4' energy: -89.633
flat angles C4'-P-C4' energy: -79.124
flat angles P-C4'-P energy: -61.921
tors. eta vs tors. theta energy: 8.297
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: 8
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -2072.889930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2072.889930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2072.889930 (E_RNA)
where:
Base-Base interactions energy: -1454.712
where: short stacking energy: -608.186
Base-Backbone interact. energy: -3.624
local terms energy: -614.554157
where:
bonds (distance) C4'-P energy: -109.349
bonds (distance) P-C4' energy: -115.848
flat angles C4'-P-C4' energy: -136.445
flat angles P-C4'-P energy: -79.347
tors. eta vs tors. theta energy: -173.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -2025.002820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.002820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.002820 (E_RNA)
where:
Base-Base interactions energy: -1422.490
where: short stacking energy: -586.794
Base-Backbone interact. energy: -0.493
local terms energy: -602.020275
where:
bonds (distance) C4'-P energy: -113.029
bonds (distance) P-C4' energy: -121.691
flat angles C4'-P-C4' energy: -132.727
flat angles P-C4'-P energy: -69.167
tors. eta vs tors. theta energy: -165.406
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: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1893.412658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.412658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.412658 (E_RNA)
where:
Base-Base interactions energy: -1327.843
where: short stacking energy: -554.707
Base-Backbone interact. energy: -2.633
local terms energy: -562.936291
where:
bonds (distance) C4'-P energy: -97.591
bonds (distance) P-C4' energy: -106.657
flat angles C4'-P-C4' energy: -119.566
flat angles P-C4'-P energy: -82.037
tors. eta vs tors. theta energy: -157.085
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: 4, replica: 5
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1789.048315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.048315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.048315 (E_RNA)
where:
Base-Base interactions energy: -1229.278
where: short stacking energy: -508.806
Base-Backbone interact. energy: -2.035
local terms energy: -557.735484
where:
bonds (distance) C4'-P energy: -107.145
bonds (distance) P-C4' energy: -111.724
flat angles C4'-P-C4' energy: -118.708
flat angles P-C4'-P energy: -68.689
tors. eta vs tors. theta energy: -151.469
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: 7
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1830.809891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.809891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.809891 (E_RNA)
where:
Base-Base interactions energy: -1269.763
where: short stacking energy: -516.529
Base-Backbone interact. energy: -3.169
local terms energy: -557.877618
where:
bonds (distance) C4'-P energy: -103.596
bonds (distance) P-C4' energy: -108.758
flat angles C4'-P-C4' energy: -116.351
flat angles P-C4'-P energy: -74.759
tors. eta vs tors. theta energy: -154.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1501.863530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.863530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.863530 (E_RNA)
where:
Base-Base interactions energy: -1016.014
where: short stacking energy: -430.601
Base-Backbone interact. energy: -0.610
local terms energy: -485.240212
where:
bonds (distance) C4'-P energy: -94.814
bonds (distance) P-C4' energy: -108.001
flat angles C4'-P-C4' energy: -101.988
flat angles P-C4'-P energy: -71.485
tors. eta vs tors. theta energy: -108.952
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: 7, replica: 3
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1344.654253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.654253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.654253 (E_RNA)
where:
Base-Base interactions energy: -881.752
where: short stacking energy: -411.524
Base-Backbone interact. energy: -0.455
local terms energy: -462.446919
where:
bonds (distance) C4'-P energy: -102.200
bonds (distance) P-C4' energy: -92.713
flat angles C4'-P-C4' energy: -102.492
flat angles P-C4'-P energy: -64.361
tors. eta vs tors. theta energy: -100.681
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: 10
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -945.452443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.452443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.452443 (E_RNA)
where:
Base-Base interactions energy: -531.890
where: short stacking energy: -262.289
Base-Backbone interact. energy: -0.677
local terms energy: -412.886124
where:
bonds (distance) C4'-P energy: -107.016
bonds (distance) P-C4' energy: -97.501
flat angles C4'-P-C4' energy: -89.411
flat angles P-C4'-P energy: -81.844
tors. eta vs tors. theta energy: -37.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -901.229485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.229485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.229485 (E_RNA)
where:
Base-Base interactions energy: -547.091
where: short stacking energy: -260.613
Base-Backbone interact. energy: 7.548
local terms energy: -361.686219
where:
bonds (distance) C4'-P energy: -99.459
bonds (distance) P-C4' energy: -93.108
flat angles C4'-P-C4' energy: -84.673
flat angles P-C4'-P energy: -53.565
tors. eta vs tors. theta energy: -30.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -574.722929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.722929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.722929 (E_RNA)
where:
Base-Base interactions energy: -245.912
where: short stacking energy: -153.252
Base-Backbone interact. energy: 2.419
local terms energy: -331.229152
where:
bonds (distance) C4'-P energy: -96.749
bonds (distance) P-C4' energy: -110.649
flat angles C4'-P-C4' energy: -78.676
flat angles P-C4'-P energy: -46.857
tors. eta vs tors. theta energy: 1.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -2076.569903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.569903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.569903 (E_RNA)
where:
Base-Base interactions energy: -1449.548
where: short stacking energy: -589.355
Base-Backbone interact. energy: -1.790
local terms energy: -625.231530
where:
bonds (distance) C4'-P energy: -112.673
bonds (distance) P-C4' energy: -112.074
flat angles C4'-P-C4' energy: -133.504
flat angles P-C4'-P energy: -83.946
tors. eta vs tors. theta energy: -183.035
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: 9
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -2042.319859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.319859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.319859 (E_RNA)
where:
Base-Base interactions energy: -1432.455
where: short stacking energy: -603.934
Base-Backbone interact. energy: 1.632
local terms energy: -611.496254
where:
bonds (distance) C4'-P energy: -105.084
bonds (distance) P-C4' energy: -105.878
flat angles C4'-P-C4' energy: -136.437
flat angles P-C4'-P energy: -98.116
tors. eta vs tors. theta energy: -165.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1911.449627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.449627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.449627 (E_RNA)
where:
Base-Base interactions energy: -1315.271
where: short stacking energy: -568.596
Base-Backbone interact. energy: -3.392
local terms energy: -592.786818
where:
bonds (distance) C4'-P energy: -113.295
bonds (distance) P-C4' energy: -89.051
flat angles C4'-P-C4' energy: -130.420
flat angles P-C4'-P energy: -90.502
tors. eta vs tors. theta energy: -169.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1810.189920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.189920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.189920 (E_RNA)
where:
Base-Base interactions energy: -1219.198
where: short stacking energy: -536.072
Base-Backbone interact. energy: 1.289
local terms energy: -592.280704
where:
bonds (distance) C4'-P energy: -105.003
bonds (distance) P-C4' energy: -124.871
flat angles C4'-P-C4' energy: -119.243
flat angles P-C4'-P energy: -82.166
tors. eta vs tors. theta energy: -160.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1816.810934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.810934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.810934 (E_RNA)
where:
Base-Base interactions energy: -1249.542
where: short stacking energy: -524.174
Base-Backbone interact. energy: -3.586
local terms energy: -563.683238
where:
bonds (distance) C4'-P energy: -102.777
bonds (distance) P-C4' energy: -93.118
flat angles C4'-P-C4' energy: -137.724
flat angles P-C4'-P energy: -82.615
tors. eta vs tors. theta energy: -147.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1512.306623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.306623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.306623 (E_RNA)
where:
Base-Base interactions energy: -1017.204
where: short stacking energy: -434.938
Base-Backbone interact. energy: -0.431
local terms energy: -494.671140
where:
bonds (distance) C4'-P energy: -99.033
bonds (distance) P-C4' energy: -95.829
flat angles C4'-P-C4' energy: -105.285
flat angles P-C4'-P energy: -70.442
tors. eta vs tors. theta energy: -124.082
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: 286
Temperature: 1.200000
Total energy: -1440.630832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.630832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.630832 (E_RNA)
where:
Base-Base interactions energy: -949.275
where: short stacking energy: -405.056
Base-Backbone interact. energy: -1.754
local terms energy: -489.601613
where:
bonds (distance) C4'-P energy: -108.801
bonds (distance) P-C4' energy: -98.982
flat angles C4'-P-C4' energy: -100.203
flat angles P-C4'-P energy: -77.365
tors. eta vs tors. theta energy: -104.250
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: 8, replica: 10
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1002.977190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.977190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.977190 (E_RNA)
where:
Base-Base interactions energy: -631.997
where: short stacking energy: -283.324
Base-Backbone interact. energy: 2.999
local terms energy: -373.978841
where:
bonds (distance) C4'-P energy: -92.927
bonds (distance) P-C4' energy: -103.613
flat angles C4'-P-C4' energy: -97.351
flat angles P-C4'-P energy: -56.477
tors. eta vs tors. theta energy: -23.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -948.302653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.302653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.302653 (E_RNA)
where:
Base-Base interactions energy: -547.602
where: short stacking energy: -250.522
Base-Backbone interact. energy: 1.437
local terms energy: -402.138114
where:
bonds (distance) C4'-P energy: -95.771
bonds (distance) P-C4' energy: -103.080
flat angles C4'-P-C4' energy: -107.447
flat angles P-C4'-P energy: -57.930
tors. eta vs tors. theta energy: -37.910
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: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -540.369731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.369731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.369731 (E_RNA)
where:
Base-Base interactions energy: -231.053
where: short stacking energy: -147.010
Base-Backbone interact. energy: 1.997
local terms energy: -311.313137
where:
bonds (distance) C4'-P energy: -101.924
bonds (distance) P-C4' energy: -107.650
flat angles C4'-P-C4' energy: -63.445
flat angles P-C4'-P energy: -48.308
tors. eta vs tors. theta energy: 10.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -2068.676359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.676359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.676359 (E_RNA)
where:
Base-Base interactions energy: -1449.433
where: short stacking energy: -619.325
Base-Backbone interact. energy: -4.297
local terms energy: -614.946395
where:
bonds (distance) C4'-P energy: -108.808
bonds (distance) P-C4' energy: -107.639
flat angles C4'-P-C4' energy: -127.011
flat angles P-C4'-P energy: -86.112
tors. eta vs tors. theta energy: -185.376
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: 9
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -2051.784253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.784253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.784253 (E_RNA)
where:
Base-Base interactions energy: -1442.320
where: short stacking energy: -600.758
Base-Backbone interact. energy: -0.566
local terms energy: -608.898242
where:
bonds (distance) C4'-P energy: -98.231
bonds (distance) P-C4' energy: -126.015
flat angles C4'-P-C4' energy: -131.391
flat angles P-C4'-P energy: -81.138
tors. eta vs tors. theta energy: -172.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -1920.422619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.422619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.422619 (E_RNA)
where:
Base-Base interactions energy: -1327.037
where: short stacking energy: -566.369
Base-Backbone interact. energy: 1.370
local terms energy: -594.755364
where:
bonds (distance) C4'-P energy: -101.197
bonds (distance) P-C4' energy: -116.667
flat angles C4'-P-C4' energy: -126.887
flat angles P-C4'-P energy: -78.369
tors. eta vs tors. theta energy: -171.635
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: 7
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1802.933635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.933635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.933635 (E_RNA)
where:
Base-Base interactions energy: -1227.794
where: short stacking energy: -514.710
Base-Backbone interact. energy: 1.174
local terms energy: -576.313400
where:
bonds (distance) C4'-P energy: -110.178
bonds (distance) P-C4' energy: -107.234
flat angles C4'-P-C4' energy: -118.968
flat angles P-C4'-P energy: -88.154
tors. eta vs tors. theta energy: -151.778
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: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1708.593680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.593680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.593680 (E_RNA)
where:
Base-Base interactions energy: -1172.329
where: short stacking energy: -493.999
Base-Backbone interact. energy: -1.944
local terms energy: -534.321244
where:
bonds (distance) C4'-P energy: -101.459
bonds (distance) P-C4' energy: -108.117
flat angles C4'-P-C4' energy: -121.895
flat angles P-C4'-P energy: -61.151
tors. eta vs tors. theta energy: -141.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1479.483241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.483241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.483241 (E_RNA)
where:
Base-Base interactions energy: -983.105
where: short stacking energy: -399.574
Base-Backbone interact. energy: -2.666
local terms energy: -493.711841
where:
bonds (distance) C4'-P energy: -98.796
bonds (distance) P-C4' energy: -105.843
flat angles C4'-P-C4' energy: -112.928
flat angles P-C4'-P energy: -72.475
tors. eta vs tors. theta energy: -103.669
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: 287
Temperature: 1.200000
Total energy: -1388.716902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.716902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.716902 (E_RNA)
where:
Base-Base interactions energy: -920.981
where: short stacking energy: -412.326
Base-Backbone interact. energy: -5.127
local terms energy: -462.608509
where:
bonds (distance) C4'-P energy: -90.116
bonds (distance) P-C4' energy: -89.174
flat angles C4'-P-C4' energy: -91.189
flat angles P-C4'-P energy: -82.521
tors. eta vs tors. theta energy: -109.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -977.697085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.697085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.697085 (E_RNA)
where:
Base-Base interactions energy: -585.362
where: short stacking energy: -267.964
Base-Backbone interact. energy: -2.516
local terms energy: -389.819429
where:
bonds (distance) C4'-P energy: -106.621
bonds (distance) P-C4' energy: -92.200
flat angles C4'-P-C4' energy: -104.733
flat angles P-C4'-P energy: -47.345
tors. eta vs tors. theta energy: -38.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -946.856679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.856679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.856679 (E_RNA)
where:
Base-Base interactions energy: -564.430
where: short stacking energy: -269.606
Base-Backbone interact. energy: 1.872
local terms energy: -384.298089
where:
bonds (distance) C4'-P energy: -90.839
bonds (distance) P-C4' energy: -107.803
flat angles C4'-P-C4' energy: -93.508
flat angles P-C4'-P energy: -38.455
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: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -511.824293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.824293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.824293 (E_RNA)
where:
Base-Base interactions energy: -229.570
where: short stacking energy: -160.017
Base-Backbone interact. energy: 1.248
local terms energy: -283.501781
where:
bonds (distance) C4'-P energy: -73.047
bonds (distance) P-C4' energy: -91.624
flat angles C4'-P-C4' energy: -75.970
flat angles P-C4'-P energy: -55.676
tors. eta vs tors. theta energy: 12.815
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: 288
Temperature: 0.900000
Total energy: -2089.450458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.450458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.450458 (E_RNA)
where:
Base-Base interactions energy: -1461.665
where: short stacking energy: -611.916
Base-Backbone interact. energy: -2.277
local terms energy: -625.508978
where:
bonds (distance) C4'-P energy: -117.608
bonds (distance) P-C4' energy: -113.913
flat angles C4'-P-C4' energy: -128.956
flat angles P-C4'-P energy: -90.658
tors. eta vs tors. theta energy: -174.374
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: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -2046.591053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.591053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.591053 (E_RNA)
where:
Base-Base interactions energy: -1432.557
where: short stacking energy: -585.685
Base-Backbone interact. energy: 0.353
local terms energy: -614.386741
where:
bonds (distance) C4'-P energy: -114.892
bonds (distance) P-C4' energy: -113.103
flat angles C4'-P-C4' energy: -130.813
flat angles P-C4'-P energy: -85.480
tors. eta vs tors. theta energy: -170.098
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: 6
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1864.188261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.188261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.188261 (E_RNA)
where:
Base-Base interactions energy: -1282.341
where: short stacking energy: -547.185
Base-Backbone interact. energy: -1.265
local terms energy: -580.582229
where:
bonds (distance) C4'-P energy: -96.709
bonds (distance) P-C4' energy: -107.951
flat angles C4'-P-C4' energy: -122.163
flat angles P-C4'-P energy: -79.070
tors. eta vs tors. theta energy: -174.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1809.742216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.742216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.742216 (E_RNA)
where:
Base-Base interactions energy: -1254.092
where: short stacking energy: -546.605
Base-Backbone interact. energy: -2.960
local terms energy: -552.691089
where:
bonds (distance) C4'-P energy: -97.992
bonds (distance) P-C4' energy: -108.978
flat angles C4'-P-C4' energy: -124.495
flat angles P-C4'-P energy: -65.683
tors. eta vs tors. theta energy: -155.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1674.881952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.881952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.881952 (E_RNA)
where:
Base-Base interactions energy: -1119.329
where: short stacking energy: -490.195
Base-Backbone interact. energy: -3.329
local terms energy: -552.224043
where:
bonds (distance) C4'-P energy: -92.017
bonds (distance) P-C4' energy: -125.434
flat angles C4'-P-C4' energy: -121.141
flat angles P-C4'-P energy: -79.853
tors. eta vs tors. theta energy: -133.780
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: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1511.290165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.290165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.290165 (E_RNA)
where:
Base-Base interactions energy: -1019.740
where: short stacking energy: -440.808
Base-Backbone interact. energy: -1.698
local terms energy: -489.851352
where:
bonds (distance) C4'-P energy: -94.822
bonds (distance) P-C4' energy: -99.244
flat angles C4'-P-C4' energy: -103.457
flat angles P-C4'-P energy: -76.753
tors. eta vs tors. theta energy: -115.575
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: 3
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1384.277346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.277346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.277346 (E_RNA)
where:
Base-Base interactions energy: -901.460
where: short stacking energy: -397.329
Base-Backbone interact. energy: -0.096
local terms energy: -482.721397
where:
bonds (distance) C4'-P energy: -100.037
bonds (distance) P-C4' energy: -89.222
flat angles C4'-P-C4' energy: -110.915
flat angles P-C4'-P energy: -73.862
tors. eta vs tors. theta energy: -108.686
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: 10
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1007.020437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.020437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.020437 (E_RNA)
where:
Base-Base interactions energy: -610.871
where: short stacking energy: -305.352
Base-Backbone interact. energy: -2.070
local terms energy: -394.079746
where:
bonds (distance) C4'-P energy: -93.840
bonds (distance) P-C4' energy: -92.814
flat angles C4'-P-C4' energy: -91.282
flat angles P-C4'-P energy: -64.772
tors. eta vs tors. theta energy: -51.372
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: 4
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -879.203629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.203629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.203629 (E_RNA)
where:
Base-Base interactions energy: -512.670
where: short stacking energy: -256.555
Base-Backbone interact. energy: 4.344
local terms energy: -370.878109
where:
bonds (distance) C4'-P energy: -85.272
bonds (distance) P-C4' energy: -96.537
flat angles C4'-P-C4' energy: -102.036
flat angles P-C4'-P energy: -46.231
tors. eta vs tors. theta energy: -40.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -519.553093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.553093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.553093 (E_RNA)
where:
Base-Base interactions energy: -244.021
where: short stacking energy: -170.872
Base-Backbone interact. energy: 0.009
local terms energy: -275.540753
where:
bonds (distance) C4'-P energy: -84.982
bonds (distance) P-C4' energy: -80.927
flat angles C4'-P-C4' energy: -71.992
flat angles P-C4'-P energy: -47.033
tors. eta vs tors. theta energy: 9.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -2108.712482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.712482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.712482 (E_RNA)
where:
Base-Base interactions energy: -1458.346
where: short stacking energy: -590.461
Base-Backbone interact. energy: -2.452
local terms energy: -647.915053
where:
bonds (distance) C4'-P energy: -124.517
bonds (distance) P-C4' energy: -124.867
flat angles C4'-P-C4' energy: -143.862
flat angles P-C4'-P energy: -81.901
tors. eta vs tors. theta energy: -172.769
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: 2, replica: 8
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -2004.016302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.016302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.016302 (E_RNA)
where:
Base-Base interactions energy: -1419.184
where: short stacking energy: -569.245
Base-Backbone interact. energy: -3.484
local terms energy: -581.348787
where:
bonds (distance) C4'-P energy: -109.778
bonds (distance) P-C4' energy: -114.375
flat angles C4'-P-C4' energy: -115.252
flat angles P-C4'-P energy: -84.557
tors. eta vs tors. theta energy: -157.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1927.376746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.376746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.376746 (E_RNA)
where:
Base-Base interactions energy: -1323.159
where: short stacking energy: -575.239
Base-Backbone interact. energy: -4.059
local terms energy: -600.158588
where:
bonds (distance) C4'-P energy: -108.328
bonds (distance) P-C4' energy: -108.529
flat angles C4'-P-C4' energy: -131.386
flat angles P-C4'-P energy: -80.615
tors. eta vs tors. theta energy: -171.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -1812.576588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.576588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.576588 (E_RNA)
where:
Base-Base interactions energy: -1256.196
where: short stacking energy: -533.164
Base-Backbone interact. energy: -2.124
local terms energy: -554.256561
where:
bonds (distance) C4'-P energy: -111.011
bonds (distance) P-C4' energy: -102.198
flat angles C4'-P-C4' energy: -118.336
flat angles P-C4'-P energy: -74.560
tors. eta vs tors. theta energy: -148.152
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: 5, replica: 5
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1726.548234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.548234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.548234 (E_RNA)
where:
Base-Base interactions energy: -1171.850
where: short stacking energy: -486.577
Base-Backbone interact. energy: -0.559
local terms energy: -554.139912
where:
bonds (distance) C4'-P energy: -108.805
bonds (distance) P-C4' energy: -107.758
flat angles C4'-P-C4' energy: -116.562
flat angles P-C4'-P energy: -78.162
tors. eta vs tors. theta energy: -142.853
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: 289
Temperature: 1.150000
Total energy: -1503.587315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.587315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.587315 (E_RNA)
where:
Base-Base interactions energy: -1004.894
where: short stacking energy: -423.099
Base-Backbone interact. energy: -0.857
local terms energy: -497.836205
where:
bonds (distance) C4'-P energy: -79.798
bonds (distance) P-C4' energy: -113.220
flat angles C4'-P-C4' energy: -116.853
flat angles P-C4'-P energy: -78.108
tors. eta vs tors. theta energy: -109.857
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: 3
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1355.980663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.980663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.980663 (E_RNA)
where:
Base-Base interactions energy: -916.692
where: short stacking energy: -398.725
Base-Backbone interact. energy: -0.812
local terms energy: -438.476531
where:
bonds (distance) C4'-P energy: -84.627
bonds (distance) P-C4' energy: -78.409
flat angles C4'-P-C4' energy: -116.939
flat angles P-C4'-P energy: -56.690
tors. eta vs tors. theta energy: -101.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -974.889208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.889208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.889208 (E_RNA)
where:
Base-Base interactions energy: -601.034
where: short stacking energy: -286.544
Base-Backbone interact. energy: 8.452
local terms energy: -382.306894
where:
bonds (distance) C4'-P energy: -102.072
bonds (distance) P-C4' energy: -97.797
flat angles C4'-P-C4' energy: -93.452
flat angles P-C4'-P energy: -58.815
tors. eta vs tors. theta energy: -30.170
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: 4
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -923.559476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.559476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.559476 (E_RNA)
where:
Base-Base interactions energy: -538.866
where: short stacking energy: -271.001
Base-Backbone interact. energy: 1.083
local terms energy: -385.776327
where:
bonds (distance) C4'-P energy: -96.826
bonds (distance) P-C4' energy: -95.534
flat angles C4'-P-C4' energy: -91.793
flat angles P-C4'-P energy: -64.938
tors. eta vs tors. theta energy: -36.685
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: 2
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -575.038478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.038478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.038478 (E_RNA)
where:
Base-Base interactions energy: -274.692
where: short stacking energy: -165.702
Base-Backbone interact. energy: 4.403
local terms energy: -304.748905
where:
bonds (distance) C4'-P energy: -100.809
bonds (distance) P-C4' energy: -91.915
flat angles C4'-P-C4' energy: -75.859
flat angles P-C4'-P energy: -42.626
tors. eta vs tors. theta energy: 6.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -2137.392699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2137.392699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2137.392699 (E_RNA)
where:
Base-Base interactions energy: -1478.089
where: short stacking energy: -624.367
Base-Backbone interact. energy: -1.676
local terms energy: -657.627195
where:
bonds (distance) C4'-P energy: -132.902
bonds (distance) P-C4' energy: -124.296
flat angles C4'-P-C4' energy: -130.640
flat angles P-C4'-P energy: -88.996
tors. eta vs tors. theta energy: -180.794
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: 8
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -2037.820970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.820970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.820970 (E_RNA)
where:
Base-Base interactions energy: -1432.569
where: short stacking energy: -595.296
Base-Backbone interact. energy: -2.444
local terms energy: -602.808163
where:
bonds (distance) C4'-P energy: -106.561
bonds (distance) P-C4' energy: -117.896
flat angles C4'-P-C4' energy: -137.706
flat angles P-C4'-P energy: -75.671
tors. eta vs tors. theta energy: -164.973
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: 6
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1928.797049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.797049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.797049 (E_RNA)
where:
Base-Base interactions energy: -1341.239
where: short stacking energy: -586.524
Base-Backbone interact. energy: 2.305
local terms energy: -589.863555
where:
bonds (distance) C4'-P energy: -93.114
bonds (distance) P-C4' energy: -107.004
flat angles C4'-P-C4' energy: -130.200
flat angles P-C4'-P energy: -77.506
tors. eta vs tors. theta energy: -182.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1794.785041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.785041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.785041 (E_RNA)
where:
Base-Base interactions energy: -1202.620
where: short stacking energy: -516.833
Base-Backbone interact. energy: -2.345
local terms energy: -589.819630
where:
bonds (distance) C4'-P energy: -105.238
bonds (distance) P-C4' energy: -115.995
flat angles C4'-P-C4' energy: -127.803
flat angles P-C4'-P energy: -90.300
tors. eta vs tors. theta energy: -150.483
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: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1760.984503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.984503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.984503 (E_RNA)
where:
Base-Base interactions energy: -1220.566
where: short stacking energy: -498.116
Base-Backbone interact. energy: -1.626
local terms energy: -538.793295
where:
bonds (distance) C4'-P energy: -114.863
bonds (distance) P-C4' energy: -101.754
flat angles C4'-P-C4' energy: -113.736
flat angles P-C4'-P energy: -66.142
tors. eta vs tors. theta energy: -142.298
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: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1564.346276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.346276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.346276 (E_RNA)
where:
Base-Base interactions energy: -1030.923
where: short stacking energy: -472.013
Base-Backbone interact. energy: -5.771
local terms energy: -527.652398
where:
bonds (distance) C4'-P energy: -97.810
bonds (distance) P-C4' energy: -101.154
flat angles C4'-P-C4' energy: -115.740
flat angles P-C4'-P energy: -93.037
tors. eta vs tors. theta energy: -119.912
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: 3
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1366.752440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.752440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.752440 (E_RNA)
where:
Base-Base interactions energy: -901.967
where: short stacking energy: -404.461
Base-Backbone interact. energy: -0.762
local terms energy: -464.022750
where:
bonds (distance) C4'-P energy: -94.092
bonds (distance) P-C4' energy: -100.796
flat angles C4'-P-C4' energy: -112.768
flat angles P-C4'-P energy: -51.494
tors. eta vs tors. theta energy: -104.872
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: 10
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -984.330525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.330525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.330525 (E_RNA)
where:
Base-Base interactions energy: -592.734
where: short stacking energy: -297.914
Base-Backbone interact. energy: 3.704
local terms energy: -395.300085
where:
bonds (distance) C4'-P energy: -92.707
bonds (distance) P-C4' energy: -101.307
flat angles C4'-P-C4' energy: -84.970
flat angles P-C4'-P energy: -60.828
tors. eta vs tors. theta energy: -55.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -903.317509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.317509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.317509 (E_RNA)
where:
Base-Base interactions energy: -498.554
where: short stacking energy: -238.597
Base-Backbone interact. energy: -2.490
local terms energy: -402.273312
where:
bonds (distance) C4'-P energy: -89.399
bonds (distance) P-C4' energy: -123.404
flat angles C4'-P-C4' energy: -91.680
flat angles P-C4'-P energy: -69.427
tors. eta vs tors. theta energy: -28.363
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: 2
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -562.993408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.993408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.993408 (E_RNA)
where:
Base-Base interactions energy: -238.584
where: short stacking energy: -154.771
Base-Backbone interact. energy: -1.489
local terms energy: -322.920910
where:
bonds (distance) C4'-P energy: -85.165
bonds (distance) P-C4' energy: -88.058
flat angles C4'-P-C4' energy: -97.085
flat angles P-C4'-P energy: -52.430
tors. eta vs tors. theta energy: -0.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -2107.886753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.886753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.886753 (E_RNA)
where:
Base-Base interactions energy: -1470.136
where: short stacking energy: -616.548
Base-Backbone interact. energy: -1.008
local terms energy: -636.743297
where:
bonds (distance) C4'-P energy: -122.744
bonds (distance) P-C4' energy: -112.801
flat angles C4'-P-C4' energy: -136.168
flat angles P-C4'-P energy: -87.991
tors. eta vs tors. theta energy: -177.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1983.848429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.848429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.848429 (E_RNA)
where:
Base-Base interactions energy: -1369.306
where: short stacking energy: -578.241
Base-Backbone interact. energy: -4.189
local terms energy: -610.353034
where:
bonds (distance) C4'-P energy: -109.555
bonds (distance) P-C4' energy: -116.315
flat angles C4'-P-C4' energy: -126.991
flat angles P-C4'-P energy: -89.026
tors. eta vs tors. theta energy: -168.466
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: 6
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1926.609340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.609340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.609340 (E_RNA)
where:
Base-Base interactions energy: -1329.676
where: short stacking energy: -558.790
Base-Backbone interact. energy: -1.028
local terms energy: -595.905494
where:
bonds (distance) C4'-P energy: -114.654
bonds (distance) P-C4' energy: -104.839
flat angles C4'-P-C4' energy: -131.308
flat angles P-C4'-P energy: -85.800
tors. eta vs tors. theta energy: -159.304
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: 7
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1804.301072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.301072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.301072 (E_RNA)
where:
Base-Base interactions energy: -1242.202
where: short stacking energy: -522.519
Base-Backbone interact. energy: -0.651
local terms energy: -561.447611
where:
bonds (distance) C4'-P energy: -97.405
bonds (distance) P-C4' energy: -112.048
flat angles C4'-P-C4' energy: -116.630
flat angles P-C4'-P energy: -82.949
tors. eta vs tors. theta energy: -152.415
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: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1794.907800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.907800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.907800 (E_RNA)
where:
Base-Base interactions energy: -1294.510
where: short stacking energy: -523.379
Base-Backbone interact. energy: 0.824
local terms energy: -501.222040
where:
bonds (distance) C4'-P energy: -86.955
bonds (distance) P-C4' energy: -89.589
flat angles C4'-P-C4' energy: -106.262
flat angles P-C4'-P energy: -79.386
tors. eta vs tors. theta energy: -139.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1469.971903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.971903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.971903 (E_RNA)
where:
Base-Base interactions energy: -998.574
where: short stacking energy: -426.524
Base-Backbone interact. energy: 5.162
local terms energy: -476.559975
where:
bonds (distance) C4'-P energy: -103.938
bonds (distance) P-C4' energy: -89.618
flat angles C4'-P-C4' energy: -103.327
flat angles P-C4'-P energy: -79.317
tors. eta vs tors. theta energy: -100.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1343.061657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.061657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.061657 (E_RNA)
where:
Base-Base interactions energy: -869.511
where: short stacking energy: -385.294
Base-Backbone interact. energy: 0.778
local terms energy: -474.328851
where:
bonds (distance) C4'-P energy: -79.567
bonds (distance) P-C4' energy: -97.723
flat angles C4'-P-C4' energy: -114.152
flat angles P-C4'-P energy: -77.043
tors. eta vs tors. theta energy: -105.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -956.891905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.891905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.891905 (E_RNA)
where:
Base-Base interactions energy: -577.812
where: short stacking energy: -285.958
Base-Backbone interact. energy: -2.558
local terms energy: -376.522641
where:
bonds (distance) C4'-P energy: -82.571
bonds (distance) P-C4' energy: -97.008
flat angles C4'-P-C4' energy: -97.639
flat angles P-C4'-P energy: -67.300
tors. eta vs tors. theta energy: -32.005
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: 4
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -942.069920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.069920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.069920 (E_RNA)
where:
Base-Base interactions energy: -556.304
where: short stacking energy: -290.494
Base-Backbone interact. energy: -0.900
local terms energy: -384.865313
where:
bonds (distance) C4'-P energy: -85.982
bonds (distance) P-C4' energy: -91.909
flat angles C4'-P-C4' energy: -96.258
flat angles P-C4'-P energy: -56.958
tors. eta vs tors. theta energy: -53.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -527.305446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.305446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.305446 (E_RNA)
where:
Base-Base interactions energy: -196.248
where: short stacking energy: -118.712
Base-Backbone interact. energy: -0.107
local terms energy: -330.950621
where:
bonds (distance) C4'-P energy: -110.382
bonds (distance) P-C4' energy: -96.532
flat angles C4'-P-C4' energy: -74.776
flat angles P-C4'-P energy: -54.055
tors. eta vs tors. theta energy: 4.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -2124.364184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.364184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.364184 (E_RNA)
where:
Base-Base interactions energy: -1492.245
where: short stacking energy: -610.290
Base-Backbone interact. energy: -0.520
local terms energy: -631.599141
where:
bonds (distance) C4'-P energy: -108.775
bonds (distance) P-C4' energy: -119.616
flat angles C4'-P-C4' energy: -136.002
flat angles P-C4'-P energy: -90.928
tors. eta vs tors. theta energy: -176.278
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: 8
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1997.503756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.503756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.503756 (E_RNA)
where:
Base-Base interactions energy: -1374.822
where: short stacking energy: -565.469
Base-Backbone interact. energy: 0.192
local terms energy: -622.873790
where:
bonds (distance) C4'-P energy: -114.591
bonds (distance) P-C4' energy: -111.015
flat angles C4'-P-C4' energy: -133.155
flat angles P-C4'-P energy: -96.107
tors. eta vs tors. theta energy: -168.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1908.587294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.587294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.587294 (E_RNA)
where:
Base-Base interactions energy: -1331.308
where: short stacking energy: -554.491
Base-Backbone interact. energy: -3.056
local terms energy: -574.222814
where:
bonds (distance) C4'-P energy: -115.777
bonds (distance) P-C4' energy: -99.605
flat angles C4'-P-C4' energy: -120.343
flat angles P-C4'-P energy: -84.674
tors. eta vs tors. theta energy: -153.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1843.776690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.776690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.776690 (E_RNA)
where:
Base-Base interactions energy: -1257.329
where: short stacking energy: -544.625
Base-Backbone interact. energy: -3.008
local terms energy: -583.440378
where:
bonds (distance) C4'-P energy: -108.299
bonds (distance) P-C4' energy: -118.482
flat angles C4'-P-C4' energy: -120.672
flat angles P-C4'-P energy: -70.224
tors. eta vs tors. theta energy: -165.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1745.953819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.953819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.953819 (E_RNA)
where:
Base-Base interactions energy: -1221.404
where: short stacking energy: -508.773
Base-Backbone interact. energy: -1.457
local terms energy: -523.092939
where:
bonds (distance) C4'-P energy: -76.348
bonds (distance) P-C4' energy: -107.957
flat angles C4'-P-C4' energy: -129.475
flat angles P-C4'-P energy: -73.946
tors. eta vs tors. theta energy: -135.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1477.503237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.503237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.503237 (E_RNA)
where:
Base-Base interactions energy: -1009.964
where: short stacking energy: -399.200
Base-Backbone interact. energy: -3.211
local terms energy: -464.328779
where:
bonds (distance) C4'-P energy: -104.400
bonds (distance) P-C4' energy: -91.427
flat angles C4'-P-C4' energy: -97.990
flat angles P-C4'-P energy: -77.366
tors. eta vs tors. theta energy: -93.146
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: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1331.869024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.869024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.869024 (E_RNA)
where:
Base-Base interactions energy: -891.822
where: short stacking energy: -408.056
Base-Backbone interact. energy: 2.176
local terms energy: -442.222836
where:
bonds (distance) C4'-P energy: -88.002
bonds (distance) P-C4' energy: -85.152
flat angles C4'-P-C4' energy: -114.630
flat angles P-C4'-P energy: -60.958
tors. eta vs tors. theta energy: -93.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -969.446212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.446212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.446212 (E_RNA)
where:
Base-Base interactions energy: -568.930
where: short stacking energy: -284.060
Base-Backbone interact. energy: -1.540
local terms energy: -398.976542
where:
bonds (distance) C4'-P energy: -93.165
bonds (distance) P-C4' energy: -103.174
flat angles C4'-P-C4' energy: -94.461
flat angles P-C4'-P energy: -64.184
tors. eta vs tors. theta energy: -43.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -948.197045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.197045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.197045 (E_RNA)
where:
Base-Base interactions energy: -588.534
where: short stacking energy: -273.470
Base-Backbone interact. energy: -0.337
local terms energy: -359.326874
where:
bonds (distance) C4'-P energy: -96.696
bonds (distance) P-C4' energy: -66.434
flat angles C4'-P-C4' energy: -100.384
flat angles P-C4'-P energy: -59.922
tors. eta vs tors. theta energy: -35.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -580.096694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.096694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.096694 (E_RNA)
where:
Base-Base interactions energy: -265.175
where: short stacking energy: -159.758
Base-Backbone interact. energy: 4.076
local terms energy: -318.997180
where:
bonds (distance) C4'-P energy: -103.421
bonds (distance) P-C4' energy: -98.655
flat angles C4'-P-C4' energy: -75.242
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -2099.243898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.243898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.243898 (E_RNA)
where:
Base-Base interactions energy: -1470.011
where: short stacking energy: -614.029
Base-Backbone interact. energy: 2.709
local terms energy: -631.941545
where:
bonds (distance) C4'-P energy: -117.426
bonds (distance) P-C4' energy: -116.953
flat angles C4'-P-C4' energy: -138.167
flat angles P-C4'-P energy: -86.788
tors. eta vs tors. theta energy: -172.608
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: 8
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1994.997517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.997517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.997517 (E_RNA)
where:
Base-Base interactions energy: -1385.379
where: short stacking energy: -571.559
Base-Backbone interact. energy: -7.437
local terms energy: -602.180578
where:
bonds (distance) C4'-P energy: -114.671
bonds (distance) P-C4' energy: -113.208
flat angles C4'-P-C4' energy: -128.350
flat angles P-C4'-P energy: -78.066
tors. eta vs tors. theta energy: -167.887
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: 7
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1889.098904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.098904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.098904 (E_RNA)
where:
Base-Base interactions energy: -1321.071
where: short stacking energy: -560.486
Base-Backbone interact. energy: -1.107
local terms energy: -566.920181
where:
bonds (distance) C4'-P energy: -103.952
bonds (distance) P-C4' energy: -99.686
flat angles C4'-P-C4' energy: -124.715
flat angles P-C4'-P energy: -80.544
tors. eta vs tors. theta energy: -158.024
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: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1848.964511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.964511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.964511 (E_RNA)
where:
Base-Base interactions energy: -1279.448
where: short stacking energy: -560.263
Base-Backbone interact. energy: -3.450
local terms energy: -566.066977
where:
bonds (distance) C4'-P energy: -111.193
bonds (distance) P-C4' energy: -96.223
flat angles C4'-P-C4' energy: -122.212
flat angles P-C4'-P energy: -71.653
tors. eta vs tors. theta energy: -164.786
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: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1770.888309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.888309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.888309 (E_RNA)
where:
Base-Base interactions energy: -1228.471
where: short stacking energy: -514.518
Base-Backbone interact. energy: -1.570
local terms energy: -540.847177
where:
bonds (distance) C4'-P energy: -98.814
bonds (distance) P-C4' energy: -100.866
flat angles C4'-P-C4' energy: -121.282
flat angles P-C4'-P energy: -69.881
tors. eta vs tors. theta energy: -150.004
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: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1523.131956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.131956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.131956 (E_RNA)
where:
Base-Base interactions energy: -1037.862
where: short stacking energy: -442.570
Base-Backbone interact. energy: 3.264
local terms energy: -488.533575
where:
bonds (distance) C4'-P energy: -89.373
bonds (distance) P-C4' energy: -86.492
flat angles C4'-P-C4' energy: -126.272
flat angles P-C4'-P energy: -85.400
tors. eta vs tors. theta energy: -100.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1318.325748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.325748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.325748 (E_RNA)
where:
Base-Base interactions energy: -851.491
where: short stacking energy: -400.363
Base-Backbone interact. energy: 2.623
local terms energy: -469.457963
where:
bonds (distance) C4'-P energy: -98.287
bonds (distance) P-C4' energy: -103.876
flat angles C4'-P-C4' energy: -106.111
flat angles P-C4'-P energy: -69.497
tors. eta vs tors. theta energy: -91.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -978.472659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.472659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.472659 (E_RNA)
where:
Base-Base interactions energy: -557.284
where: short stacking energy: -286.297
Base-Backbone interact. energy: 0.842
local terms energy: -422.030568
where:
bonds (distance) C4'-P energy: -106.879
bonds (distance) P-C4' energy: -104.522
flat angles C4'-P-C4' energy: -96.805
flat angles P-C4'-P energy: -64.750
tors. eta vs tors. theta energy: -49.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -880.556525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.556525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.556525 (E_RNA)
where:
Base-Base interactions energy: -525.128
where: short stacking energy: -232.956
Base-Backbone interact. energy: 2.230
local terms energy: -357.659118
where:
bonds (distance) C4'-P energy: -94.683
bonds (distance) P-C4' energy: -104.224
flat angles C4'-P-C4' energy: -69.747
flat angles P-C4'-P energy: -59.528
tors. eta vs tors. theta energy: -29.478
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: 2
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -543.864024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.864024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.864024 (E_RNA)
where:
Base-Base interactions energy: -226.678
where: short stacking energy: -151.066
Base-Backbone interact. energy: 3.218
local terms energy: -320.403565
where:
bonds (distance) C4'-P energy: -91.507
bonds (distance) P-C4' energy: -99.582
flat angles C4'-P-C4' energy: -66.983
flat angles P-C4'-P energy: -70.642
tors. eta vs tors. theta energy: 8.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -2075.641418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.641418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.641418 (E_RNA)
where:
Base-Base interactions energy: -1465.800
where: short stacking energy: -611.792
Base-Backbone interact. energy: -4.690
local terms energy: -605.151640
where:
bonds (distance) C4'-P energy: -114.705
bonds (distance) P-C4' energy: -110.531
flat angles C4'-P-C4' energy: -129.950
flat angles P-C4'-P energy: -85.748
tors. eta vs tors. theta energy: -164.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1963.630947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.630947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.630947 (E_RNA)
where:
Base-Base interactions energy: -1361.774
where: short stacking energy: -585.592
Base-Backbone interact. energy: -1.122
local terms energy: -600.734110
where:
bonds (distance) C4'-P energy: -104.332
bonds (distance) P-C4' energy: -112.310
flat angles C4'-P-C4' energy: -132.957
flat angles P-C4'-P energy: -79.430
tors. eta vs tors. theta energy: -171.705
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: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1894.741891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.741891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.741891 (E_RNA)
where:
Base-Base interactions energy: -1339.289
where: short stacking energy: -564.518
Base-Backbone interact. energy: -2.214
local terms energy: -553.239102
where:
bonds (distance) C4'-P energy: -100.113
bonds (distance) P-C4' energy: -103.155
flat angles C4'-P-C4' energy: -111.485
flat angles P-C4'-P energy: -77.799
tors. eta vs tors. theta energy: -160.688
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: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1864.797186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.797186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.797186 (E_RNA)
where:
Base-Base interactions energy: -1295.089
where: short stacking energy: -560.042
Base-Backbone interact. energy: -3.166
local terms energy: -566.542470
where:
bonds (distance) C4'-P energy: -111.086
bonds (distance) P-C4' energy: -98.950
flat angles C4'-P-C4' energy: -127.446
flat angles P-C4'-P energy: -71.175
tors. eta vs tors. theta energy: -157.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -1731.157209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.157209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.157209 (E_RNA)
where:
Base-Base interactions energy: -1174.087
where: short stacking energy: -505.409
Base-Backbone interact. energy: -1.150
local terms energy: -555.920351
where:
bonds (distance) C4'-P energy: -101.001
bonds (distance) P-C4' energy: -105.044
flat angles C4'-P-C4' energy: -129.142
flat angles P-C4'-P energy: -78.829
tors. eta vs tors. theta energy: -141.904
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: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1545.023557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.023557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.023557 (E_RNA)
where:
Base-Base interactions energy: -1062.390
where: short stacking energy: -437.214
Base-Backbone interact. energy: -0.890
local terms energy: -481.743979
where:
bonds (distance) C4'-P energy: -88.323
bonds (distance) P-C4' energy: -102.583
flat angles C4'-P-C4' energy: -110.089
flat angles P-C4'-P energy: -72.840
tors. eta vs tors. theta energy: -107.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1307.120841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.120841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.120841 (E_RNA)
where:
Base-Base interactions energy: -842.749
where: short stacking energy: -402.066
Base-Backbone interact. energy: 2.095
local terms energy: -466.467466
where:
bonds (distance) C4'-P energy: -98.434
bonds (distance) P-C4' energy: -102.479
flat angles C4'-P-C4' energy: -103.160
flat angles P-C4'-P energy: -67.575
tors. eta vs tors. theta energy: -94.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -960.528165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.528165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.528165 (E_RNA)
where:
Base-Base interactions energy: -545.037
where: short stacking energy: -264.365
Base-Backbone interact. energy: 1.965
local terms energy: -417.456360
where:
bonds (distance) C4'-P energy: -100.988
bonds (distance) P-C4' energy: -121.981
flat angles C4'-P-C4' energy: -90.165
flat angles P-C4'-P energy: -56.217
tors. eta vs tors. theta energy: -48.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -843.712937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.712937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.712937 (E_RNA)
where:
Base-Base interactions energy: -479.078
where: short stacking energy: -236.321
Base-Backbone interact. energy: 2.359
local terms energy: -366.994709
where:
bonds (distance) C4'-P energy: -101.002
bonds (distance) P-C4' energy: -93.973
flat angles C4'-P-C4' energy: -86.943
flat angles P-C4'-P energy: -60.843
tors. eta vs tors. theta energy: -24.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -547.987422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.987422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.987422 (E_RNA)
where:
Base-Base interactions energy: -206.156
where: short stacking energy: -148.889
Base-Backbone interact. energy: -1.755
local terms energy: -340.076471
where:
bonds (distance) C4'-P energy: -93.320
bonds (distance) P-C4' energy: -104.892
flat angles C4'-P-C4' energy: -98.907
flat angles P-C4'-P energy: -51.360
tors. eta vs tors. theta energy: 8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -2111.648631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.648631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.648631 (E_RNA)
where:
Base-Base interactions energy: -1474.538
where: short stacking energy: -603.384
Base-Backbone interact. energy: -1.214
local terms energy: -635.895951
where:
bonds (distance) C4'-P energy: -124.437
bonds (distance) P-C4' energy: -120.664
flat angles C4'-P-C4' energy: -129.478
flat angles P-C4'-P energy: -91.825
tors. eta vs tors. theta energy: -169.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1978.256416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.256416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.256416 (E_RNA)
where:
Base-Base interactions energy: -1383.365
where: short stacking energy: -565.052
Base-Backbone interact. energy: -2.430
local terms energy: -592.461713
where:
bonds (distance) C4'-P energy: -112.877
bonds (distance) P-C4' energy: -107.520
flat angles C4'-P-C4' energy: -129.972
flat angles P-C4'-P energy: -79.048
tors. eta vs tors. theta energy: -163.045
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: 295
Temperature: 1.000000
Total energy: -1891.166624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.166624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.166624 (E_RNA)
where:
Base-Base interactions energy: -1323.376
where: short stacking energy: -529.326
Base-Backbone interact. energy: 2.480
local terms energy: -570.271141
where:
bonds (distance) C4'-P energy: -110.860
bonds (distance) P-C4' energy: -113.705
flat angles C4'-P-C4' energy: -124.451
flat angles P-C4'-P energy: -69.102
tors. eta vs tors. theta energy: -152.153
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: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1855.673318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.673318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.673318 (E_RNA)
where:
Base-Base interactions energy: -1290.548
where: short stacking energy: -543.144
Base-Backbone interact. energy: -1.457
local terms energy: -563.668178
where:
bonds (distance) C4'-P energy: -102.828
bonds (distance) P-C4' energy: -108.928
flat angles C4'-P-C4' energy: -123.547
flat angles P-C4'-P energy: -70.100
tors. eta vs tors. theta energy: -158.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1705.035830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.035830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.035830 (E_RNA)
where:
Base-Base interactions energy: -1151.638
where: short stacking energy: -479.138
Base-Backbone interact. energy: 3.135
local terms energy: -556.533120
where:
bonds (distance) C4'-P energy: -108.194
bonds (distance) P-C4' energy: -99.325
flat angles C4'-P-C4' energy: -120.124
flat angles P-C4'-P energy: -78.693
tors. eta vs tors. theta energy: -150.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1474.789996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.789996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.789996 (E_RNA)
where:
Base-Base interactions energy: -984.445
where: short stacking energy: -405.189
Base-Backbone interact. energy: 0.883
local terms energy: -491.228485
where:
bonds (distance) C4'-P energy: -97.392
bonds (distance) P-C4' energy: -109.285
flat angles C4'-P-C4' energy: -98.592
flat angles P-C4'-P energy: -73.299
tors. eta vs tors. theta energy: -112.661
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: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1210.953622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.953622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.953622 (E_RNA)
where:
Base-Base interactions energy: -782.600
where: short stacking energy: -338.998
Base-Backbone interact. energy: -3.139
local terms energy: -425.214422
where:
bonds (distance) C4'-P energy: -91.091
bonds (distance) P-C4' energy: -102.119
flat angles C4'-P-C4' energy: -94.338
flat angles P-C4'-P energy: -68.432
tors. eta vs tors. theta energy: -69.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -947.257800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.257800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.257800 (E_RNA)
where:
Base-Base interactions energy: -548.242
where: short stacking energy: -282.840
Base-Backbone interact. energy: -0.484
local terms energy: -398.532120
where:
bonds (distance) C4'-P energy: -98.016
bonds (distance) P-C4' energy: -103.784
flat angles C4'-P-C4' energy: -89.187
flat angles P-C4'-P energy: -65.632
tors. eta vs tors. theta energy: -41.914
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: 4
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -904.041205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.041205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.041205 (E_RNA)
where:
Base-Base interactions energy: -523.615
where: short stacking energy: -251.875
Base-Backbone interact. energy: 3.693
local terms energy: -384.119234
where:
bonds (distance) C4'-P energy: -90.253
bonds (distance) P-C4' energy: -108.575
flat angles C4'-P-C4' energy: -85.653
flat angles P-C4'-P energy: -56.568
tors. eta vs tors. theta energy: -43.071
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: 2
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -507.663291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.663291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.663291 (E_RNA)
where:
Base-Base interactions energy: -191.308
where: short stacking energy: -149.180
Base-Backbone interact. energy: -1.063
local terms energy: -315.291814
where:
bonds (distance) C4'-P energy: -92.641
bonds (distance) P-C4' energy: -92.121
flat angles C4'-P-C4' energy: -69.257
flat angles P-C4'-P energy: -69.936
tors. eta vs tors. theta energy: 8.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -2105.317646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.317646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.317646 (E_RNA)
where:
Base-Base interactions energy: -1471.879
where: short stacking energy: -617.128
Base-Backbone interact. energy: -0.056
local terms energy: -633.382271
where:
bonds (distance) C4'-P energy: -115.841
bonds (distance) P-C4' energy: -108.748
flat angles C4'-P-C4' energy: -143.684
flat angles P-C4'-P energy: -90.758
tors. eta vs tors. theta energy: -174.352
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: 8
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1984.912325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.912325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.912325 (E_RNA)
where:
Base-Base interactions energy: -1353.598
where: short stacking energy: -567.624
Base-Backbone interact. energy: -2.389
local terms energy: -628.925273
where:
bonds (distance) C4'-P energy: -110.028
bonds (distance) P-C4' energy: -123.648
flat angles C4'-P-C4' energy: -135.031
flat angles P-C4'-P energy: -90.051
tors. eta vs tors. theta energy: -170.168
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: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -1921.922863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.922863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.922863 (E_RNA)
where:
Base-Base interactions energy: -1305.600
where: short stacking energy: -551.470
Base-Backbone interact. energy: 1.129
local terms energy: -617.452139
where:
bonds (distance) C4'-P energy: -116.040
bonds (distance) P-C4' energy: -116.547
flat angles C4'-P-C4' energy: -134.385
flat angles P-C4'-P energy: -84.865
tors. eta vs tors. theta energy: -165.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1840.524464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.524464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.524464 (E_RNA)
where:
Base-Base interactions energy: -1280.886
where: short stacking energy: -531.386
Base-Backbone interact. energy: -1.779
local terms energy: -557.859602
where:
bonds (distance) C4'-P energy: -97.079
bonds (distance) P-C4' energy: -116.880
flat angles C4'-P-C4' energy: -118.822
flat angles P-C4'-P energy: -66.482
tors. eta vs tors. theta energy: -158.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1752.451907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.451907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.451907 (E_RNA)
where:
Base-Base interactions energy: -1190.664
where: short stacking energy: -510.351
Base-Backbone interact. energy: -1.504
local terms energy: -560.283719
where:
bonds (distance) C4'-P energy: -93.904
bonds (distance) P-C4' energy: -106.515
flat angles C4'-P-C4' energy: -119.557
flat angles P-C4'-P energy: -86.444
tors. eta vs tors. theta energy: -153.864
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: 296
Temperature: 1.150000
Total energy: -1475.523081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.523081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.523081 (E_RNA)
where:
Base-Base interactions energy: -971.126
where: short stacking energy: -398.547
Base-Backbone interact. energy: -1.649
local terms energy: -502.748437
where:
bonds (distance) C4'-P energy: -103.118
bonds (distance) P-C4' energy: -116.315
flat angles C4'-P-C4' energy: -116.246
flat angles P-C4'-P energy: -59.961
tors. eta vs tors. theta energy: -107.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1223.205852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.205852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.205852 (E_RNA)
where:
Base-Base interactions energy: -796.452
where: short stacking energy: -365.638
Base-Backbone interact. energy: 2.628
local terms energy: -429.382164
where:
bonds (distance) C4'-P energy: -89.849
bonds (distance) P-C4' energy: -101.668
flat angles C4'-P-C4' energy: -105.319
flat angles P-C4'-P energy: -57.376
tors. eta vs tors. theta energy: -75.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -917.201194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.201194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.201194 (E_RNA)
where:
Base-Base interactions energy: -535.511
where: short stacking energy: -260.588
Base-Backbone interact. energy: 4.187
local terms energy: -385.877887
where:
bonds (distance) C4'-P energy: -88.802
bonds (distance) P-C4' energy: -112.808
flat angles C4'-P-C4' energy: -85.848
flat angles P-C4'-P energy: -58.445
tors. eta vs tors. theta energy: -39.975
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: 4
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -891.837694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.837694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.837694 (E_RNA)
where:
Base-Base interactions energy: -520.633
where: short stacking energy: -249.828
Base-Backbone interact. energy: 2.455
local terms energy: -373.659871
where:
bonds (distance) C4'-P energy: -89.728
bonds (distance) P-C4' energy: -108.542
flat angles C4'-P-C4' energy: -87.359
flat angles P-C4'-P energy: -60.245
tors. eta vs tors. theta energy: -27.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -513.520940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.520940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.520940 (E_RNA)
where:
Base-Base interactions energy: -220.529
where: short stacking energy: -157.068
Base-Backbone interact. energy: -1.344
local terms energy: -291.647876
where:
bonds (distance) C4'-P energy: -109.235
bonds (distance) P-C4' energy: -105.970
flat angles C4'-P-C4' energy: -61.983
flat angles P-C4'-P energy: -38.215
tors. eta vs tors. theta energy: 23.755
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: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -2107.646169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.646169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.646169 (E_RNA)
where:
Base-Base interactions energy: -1489.887
where: short stacking energy: -604.321
Base-Backbone interact. energy: -1.791
local terms energy: -615.968107
where:
bonds (distance) C4'-P energy: -107.131
bonds (distance) P-C4' energy: -116.986
flat angles C4'-P-C4' energy: -134.579
flat angles P-C4'-P energy: -88.589
tors. eta vs tors. theta energy: -168.683
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: 2, replica: 8
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1998.159152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.159152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.159152 (E_RNA)
where:
Base-Base interactions energy: -1370.636
where: short stacking energy: -553.225
Base-Backbone interact. energy: -4.148
local terms energy: -623.375189
where:
bonds (distance) C4'-P energy: -106.028
bonds (distance) P-C4' energy: -117.561
flat angles C4'-P-C4' energy: -130.764
flat angles P-C4'-P energy: -94.069
tors. eta vs tors. theta energy: -174.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1931.577519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.577519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.577519 (E_RNA)
where:
Base-Base interactions energy: -1339.403
where: short stacking energy: -556.651
Base-Backbone interact. energy: -2.764
local terms energy: -589.410395
where:
bonds (distance) C4'-P energy: -114.533
bonds (distance) P-C4' energy: -112.941
flat angles C4'-P-C4' energy: -124.618
flat angles P-C4'-P energy: -75.553
tors. eta vs tors. theta energy: -161.766
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: 7
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1848.875271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.875271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.875271 (E_RNA)
where:
Base-Base interactions energy: -1285.429
where: short stacking energy: -526.965
Base-Backbone interact. energy: 0.283
local terms energy: -563.728983
where:
bonds (distance) C4'-P energy: -112.243
bonds (distance) P-C4' energy: -99.597
flat angles C4'-P-C4' energy: -137.809
flat angles P-C4'-P energy: -67.063
tors. eta vs tors. theta energy: -147.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1740.715305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.715305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.715305 (E_RNA)
where:
Base-Base interactions energy: -1190.748
where: short stacking energy: -498.042
Base-Backbone interact. energy: -3.304
local terms energy: -546.662747
where:
bonds (distance) C4'-P energy: -99.772
bonds (distance) P-C4' energy: -110.537
flat angles C4'-P-C4' energy: -113.852
flat angles P-C4'-P energy: -76.439
tors. eta vs tors. theta energy: -146.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1469.159071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.159071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.159071 (E_RNA)
where:
Base-Base interactions energy: -960.135
where: short stacking energy: -430.060
Base-Backbone interact. energy: -4.695
local terms energy: -504.328766
where:
bonds (distance) C4'-P energy: -100.805
bonds (distance) P-C4' energy: -104.528
flat angles C4'-P-C4' energy: -114.969
flat angles P-C4'-P energy: -65.018
tors. eta vs tors. theta energy: -119.009
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: 7, replica: 3
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1215.496113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.496113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.496113 (E_RNA)
where:
Base-Base interactions energy: -765.829
where: short stacking energy: -355.957
Base-Backbone interact. energy: -0.317
local terms energy: -449.350402
where:
bonds (distance) C4'-P energy: -103.495
bonds (distance) P-C4' energy: -95.562
flat angles C4'-P-C4' energy: -106.043
flat angles P-C4'-P energy: -62.658
tors. eta vs tors. theta energy: -81.592
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: 4
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1000.262801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.262801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.262801 (E_RNA)
where:
Base-Base interactions energy: -576.817
where: short stacking energy: -263.941
Base-Backbone interact. energy: 0.753
local terms energy: -424.198709
where:
bonds (distance) C4'-P energy: -96.844
bonds (distance) P-C4' energy: -106.367
flat angles C4'-P-C4' energy: -100.069
flat angles P-C4'-P energy: -73.488
tors. eta vs tors. theta energy: -47.430
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: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -895.615633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.615633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.615633 (E_RNA)
where:
Base-Base interactions energy: -524.284
where: short stacking energy: -256.047
Base-Backbone interact. energy: -1.975
local terms energy: -369.356840
where:
bonds (distance) C4'-P energy: -87.446
bonds (distance) P-C4' energy: -94.946
flat angles C4'-P-C4' energy: -81.802
flat angles P-C4'-P energy: -61.200
tors. eta vs tors. theta energy: -43.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -525.818173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.818173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.818173 (E_RNA)
where:
Base-Base interactions energy: -246.202
where: short stacking energy: -140.498
Base-Backbone interact. energy: 5.290
local terms energy: -284.906160
where:
bonds (distance) C4'-P energy: -92.080
bonds (distance) P-C4' energy: -100.706
flat angles C4'-P-C4' energy: -70.794
flat angles P-C4'-P energy: -51.209
tors. eta vs tors. theta energy: 29.883
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: 1, replica: 9
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -2109.596303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.596303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.596303 (E_RNA)
where:
Base-Base interactions energy: -1473.371
where: short stacking energy: -598.328
Base-Backbone interact. energy: -0.156
local terms energy: -636.069764
where:
bonds (distance) C4'-P energy: -120.068
bonds (distance) P-C4' energy: -111.905
flat angles C4'-P-C4' energy: -132.233
flat angles P-C4'-P energy: -89.764
tors. eta vs tors. theta energy: -182.101
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: 8
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -2032.066872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.066872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.066872 (E_RNA)
where:
Base-Base interactions energy: -1410.979
where: short stacking energy: -592.792
Base-Backbone interact. energy: -0.586
local terms energy: -620.502845
where:
bonds (distance) C4'-P energy: -119.864
bonds (distance) P-C4' energy: -117.928
flat angles C4'-P-C4' energy: -131.369
flat angles P-C4'-P energy: -77.151
tors. eta vs tors. theta energy: -174.191
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: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1898.912828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.912828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.912828 (E_RNA)
where:
Base-Base interactions energy: -1302.972
where: short stacking energy: -559.813
Base-Backbone interact. energy: -3.105
local terms energy: -592.836341
where:
bonds (distance) C4'-P energy: -110.406
bonds (distance) P-C4' energy: -103.664
flat angles C4'-P-C4' energy: -127.505
flat angles P-C4'-P energy: -82.884
tors. eta vs tors. theta energy: -168.377
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: 7
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1844.586435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.586435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.586435 (E_RNA)
where:
Base-Base interactions energy: -1279.991
where: short stacking energy: -548.132
Base-Backbone interact. energy: -4.426
local terms energy: -560.170091
where:
bonds (distance) C4'-P energy: -121.101
bonds (distance) P-C4' energy: -100.675
flat angles C4'-P-C4' energy: -122.032
flat angles P-C4'-P energy: -58.903
tors. eta vs tors. theta energy: -157.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1688.086238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.086238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.086238 (E_RNA)
where:
Base-Base interactions energy: -1143.228
where: short stacking energy: -488.069
Base-Backbone interact. energy: -2.125
local terms energy: -542.733790
where:
bonds (distance) C4'-P energy: -93.283
bonds (distance) P-C4' energy: -94.309
flat angles C4'-P-C4' energy: -117.550
flat angles P-C4'-P energy: -94.745
tors. eta vs tors. theta energy: -142.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1429.287518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.287518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.287518 (E_RNA)
where:
Base-Base interactions energy: -970.451
where: short stacking energy: -399.515
Base-Backbone interact. energy: -3.714
local terms energy: -455.122438
where:
bonds (distance) C4'-P energy: -101.187
bonds (distance) P-C4' energy: -102.107
flat angles C4'-P-C4' energy: -94.648
flat angles P-C4'-P energy: -59.734
tors. eta vs tors. theta energy: -97.446
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: 3
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1147.194445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.194445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.194445 (E_RNA)
where:
Base-Base interactions energy: -696.759
where: short stacking energy: -339.075
Base-Backbone interact. energy: -3.802
local terms energy: -446.633452
where:
bonds (distance) C4'-P energy: -95.165
bonds (distance) P-C4' energy: -111.278
flat angles C4'-P-C4' energy: -93.622
flat angles P-C4'-P energy: -63.606
tors. eta vs tors. theta energy: -82.961
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: 4
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -964.657867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.657867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.657867 (E_RNA)
where:
Base-Base interactions energy: -549.644
where: short stacking energy: -277.633
Base-Backbone interact. energy: -3.338
local terms energy: -411.675554
where:
bonds (distance) C4'-P energy: -106.510
bonds (distance) P-C4' energy: -111.726
flat angles C4'-P-C4' energy: -89.169
flat angles P-C4'-P energy: -59.134
tors. eta vs tors. theta energy: -45.137
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: 9, replica: 10
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -932.946709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.946709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.946709 (E_RNA)
where:
Base-Base interactions energy: -583.399
where: short stacking energy: -280.466
Base-Backbone interact. energy: -0.909
local terms energy: -348.638618
where:
bonds (distance) C4'-P energy: -75.029
bonds (distance) P-C4' energy: -84.746
flat angles C4'-P-C4' energy: -85.561
flat angles P-C4'-P energy: -60.108
tors. eta vs tors. theta energy: -43.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -515.035482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.035482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.035482 (E_RNA)
where:
Base-Base interactions energy: -215.941
where: short stacking energy: -153.778
Base-Backbone interact. energy: -1.845
local terms energy: -297.249983
where:
bonds (distance) C4'-P energy: -77.848
bonds (distance) P-C4' energy: -98.014
flat angles C4'-P-C4' energy: -85.369
flat angles P-C4'-P energy: -47.240
tors. eta vs tors. theta energy: 11.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -2093.367749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.367749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.367749 (E_RNA)
where:
Base-Base interactions energy: -1474.456
where: short stacking energy: -589.323
Base-Backbone interact. energy: 2.293
local terms energy: -621.204554
where:
bonds (distance) C4'-P energy: -125.963
bonds (distance) P-C4' energy: -107.648
flat angles C4'-P-C4' energy: -123.088
flat angles P-C4'-P energy: -94.093
tors. eta vs tors. theta energy: -170.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -2018.705511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.705511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.705511 (E_RNA)
where:
Base-Base interactions energy: -1396.693
where: short stacking energy: -586.636
Base-Backbone interact. energy: -3.826
local terms energy: -618.186916
where:
bonds (distance) C4'-P energy: -109.372
bonds (distance) P-C4' energy: -111.774
flat angles C4'-P-C4' energy: -134.440
flat angles P-C4'-P energy: -94.163
tors. eta vs tors. theta energy: -168.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1919.474089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.474089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.474089 (E_RNA)
where:
Base-Base interactions energy: -1326.216
where: short stacking energy: -568.459
Base-Backbone interact. energy: 0.016
local terms energy: -593.274787
where:
bonds (distance) C4'-P energy: -120.334
bonds (distance) P-C4' energy: -116.960
flat angles C4'-P-C4' energy: -120.390
flat angles P-C4'-P energy: -76.383
tors. eta vs tors. theta energy: -159.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1875.168346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.168346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.168346 (E_RNA)
where:
Base-Base interactions energy: -1304.578
where: short stacking energy: -536.134
Base-Backbone interact. energy: -1.150
local terms energy: -569.440288
where:
bonds (distance) C4'-P energy: -93.813
bonds (distance) P-C4' energy: -117.152
flat angles C4'-P-C4' energy: -125.683
flat angles P-C4'-P energy: -79.370
tors. eta vs tors. theta energy: -153.423
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: 5
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1656.887789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.887789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.887789 (E_RNA)
where:
Base-Base interactions energy: -1143.396
where: short stacking energy: -483.058
Base-Backbone interact. energy: -2.100
local terms energy: -511.391191
where:
bonds (distance) C4'-P energy: -90.341
bonds (distance) P-C4' energy: -101.346
flat angles C4'-P-C4' energy: -108.785
flat angles P-C4'-P energy: -68.404
tors. eta vs tors. theta energy: -142.516
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: 1
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1469.638601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.638601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.638601 (E_RNA)
where:
Base-Base interactions energy: -1004.932
where: short stacking energy: -422.736
Base-Backbone interact. energy: 3.073
local terms energy: -467.780450
where:
bonds (distance) C4'-P energy: -103.901
bonds (distance) P-C4' energy: -87.568
flat angles C4'-P-C4' energy: -94.751
flat angles P-C4'-P energy: -80.185
tors. eta vs tors. theta energy: -101.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1193.015902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.015902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.015902 (E_RNA)
where:
Base-Base interactions energy: -757.769
where: short stacking energy: -345.616
Base-Backbone interact. energy: -1.886
local terms energy: -433.361537
where:
bonds (distance) C4'-P energy: -79.636
bonds (distance) P-C4' energy: -105.047
flat angles C4'-P-C4' energy: -95.326
flat angles P-C4'-P energy: -71.285
tors. eta vs tors. theta energy: -82.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -958.660916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.660916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.660916 (E_RNA)
where:
Base-Base interactions energy: -564.767
where: short stacking energy: -266.528
Base-Backbone interact. energy: -3.170
local terms energy: -390.724541
where:
bonds (distance) C4'-P energy: -115.012
bonds (distance) P-C4' energy: -85.103
flat angles C4'-P-C4' energy: -96.883
flat angles P-C4'-P energy: -47.934
tors. eta vs tors. theta energy: -45.792
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: 10
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -861.524023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.524023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.524023 (E_RNA)
where:
Base-Base interactions energy: -501.143
where: short stacking energy: -259.358
Base-Backbone interact. energy: -4.060
local terms energy: -356.321145
where:
bonds (distance) C4'-P energy: -99.751
bonds (distance) P-C4' energy: -90.058
flat angles C4'-P-C4' energy: -82.727
flat angles P-C4'-P energy: -59.832
tors. eta vs tors. theta energy: -23.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -534.470160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.470160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.470160 (E_RNA)
where:
Base-Base interactions energy: -255.476
where: short stacking energy: -161.813
Base-Backbone interact. energy: 13.241
local terms energy: -292.235083
where:
bonds (distance) C4'-P energy: -98.530
bonds (distance) P-C4' energy: -87.425
flat angles C4'-P-C4' energy: -83.711
flat angles P-C4'-P energy: -49.771
tors. eta vs tors. theta energy: 27.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -2112.269919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.269919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.269919 (E_RNA)
where:
Base-Base interactions energy: -1491.220
where: short stacking energy: -616.955
Base-Backbone interact. energy: -1.769
local terms energy: -619.281293
where:
bonds (distance) C4'-P energy: -105.089
bonds (distance) P-C4' energy: -116.169
flat angles C4'-P-C4' energy: -133.170
flat angles P-C4'-P energy: -92.145
tors. eta vs tors. theta energy: -172.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1992.739770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.739770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.739770 (E_RNA)
where:
Base-Base interactions energy: -1390.043
where: short stacking energy: -565.994
Base-Backbone interact. energy: 2.777
local terms energy: -605.473914
where:
bonds (distance) C4'-P energy: -98.464
bonds (distance) P-C4' energy: -113.957
flat angles C4'-P-C4' energy: -136.142
flat angles P-C4'-P energy: -81.854
tors. eta vs tors. theta energy: -175.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1934.299797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.299797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.299797 (E_RNA)
where:
Base-Base interactions energy: -1336.833
where: short stacking energy: -559.335
Base-Backbone interact. energy: 1.292
local terms energy: -598.758835
where:
bonds (distance) C4'-P energy: -104.175
bonds (distance) P-C4' energy: -97.472
flat angles C4'-P-C4' energy: -133.026
flat angles P-C4'-P energy: -85.488
tors. eta vs tors. theta energy: -178.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1874.505194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.505194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.505194 (E_RNA)
where:
Base-Base interactions energy: -1293.899
where: short stacking energy: -522.726
Base-Backbone interact. energy: -1.725
local terms energy: -578.881178
where:
bonds (distance) C4'-P energy: -117.938
bonds (distance) P-C4' energy: -117.654
flat angles C4'-P-C4' energy: -125.526
flat angles P-C4'-P energy: -63.963
tors. eta vs tors. theta energy: -153.800
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: 5
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1744.312214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.312214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.312214 (E_RNA)
where:
Base-Base interactions energy: -1195.881
where: short stacking energy: -497.378
Base-Backbone interact. energy: -0.878
local terms energy: -547.552805
where:
bonds (distance) C4'-P energy: -96.690
bonds (distance) P-C4' energy: -104.153
flat angles C4'-P-C4' energy: -116.278
flat angles P-C4'-P energy: -78.725
tors. eta vs tors. theta energy: -151.707
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: 300
Temperature: 1.150000
Total energy: -1479.412545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.412545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.412545 (E_RNA)
where:
Base-Base interactions energy: -1002.995
where: short stacking energy: -414.632
Base-Backbone interact. energy: -0.900
local terms energy: -475.517613
where:
bonds (distance) C4'-P energy: -108.460
bonds (distance) P-C4' energy: -95.170
flat angles C4'-P-C4' energy: -110.710
flat angles P-C4'-P energy: -61.624
tors. eta vs tors. theta energy: -99.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1189.338467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.338467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.338467 (E_RNA)
where:
Base-Base interactions energy: -743.901
where: short stacking energy: -351.991
Base-Backbone interact. energy: 2.001
local terms energy: -447.438428
where:
bonds (distance) C4'-P energy: -90.195
bonds (distance) P-C4' energy: -95.378
flat angles C4'-P-C4' energy: -105.609
flat angles P-C4'-P energy: -77.647
tors. eta vs tors. theta energy: -78.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -987.157574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.157574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.157574 (E_RNA)
where:
Base-Base interactions energy: -590.657
where: short stacking energy: -306.127
Base-Backbone interact. energy: -0.432
local terms energy: -396.069194
where:
bonds (distance) C4'-P energy: -102.259
bonds (distance) P-C4' energy: -92.850
flat angles C4'-P-C4' energy: -91.619
flat angles P-C4'-P energy: -60.501
tors. eta vs tors. theta energy: -48.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -853.483360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.483360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.483360 (E_RNA)
where:
Base-Base interactions energy: -526.780
where: short stacking energy: -243.852
Base-Backbone interact. energy: -0.362
local terms energy: -326.341015
where:
bonds (distance) C4'-P energy: -75.501
bonds (distance) P-C4' energy: -89.517
flat angles C4'-P-C4' energy: -95.510
flat angles P-C4'-P energy: -36.573
tors. eta vs tors. theta energy: -29.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -506.238250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.238250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.238250 (E_RNA)
where:
Base-Base interactions energy: -202.467
where: short stacking energy: -115.446
Base-Backbone interact. energy: 2.893
local terms energy: -306.665006
where:
bonds (distance) C4'-P energy: -95.153
bonds (distance) P-C4' energy: -109.107
flat angles C4'-P-C4' energy: -79.442
flat angles P-C4'-P energy: -49.700
tors. eta vs tors. theta energy: 26.738
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: 301
Temperature: 0.900000
Total energy: -2106.460901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.460901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.460901 (E_RNA)
where:
Base-Base interactions energy: -1498.777
where: short stacking energy: -609.598
Base-Backbone interact. energy: 0.288
local terms energy: -607.972043
where:
bonds (distance) C4'-P energy: -113.848
bonds (distance) P-C4' energy: -118.756
flat angles C4'-P-C4' energy: -124.983
flat angles P-C4'-P energy: -79.958
tors. eta vs tors. theta energy: -170.427
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: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -2000.180867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.180867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.180867 (E_RNA)
where:
Base-Base interactions energy: -1383.774
where: short stacking energy: -564.067
Base-Backbone interact. energy: -4.347
local terms energy: -612.060668
where:
bonds (distance) C4'-P energy: -106.714
bonds (distance) P-C4' energy: -109.572
flat angles C4'-P-C4' energy: -138.554
flat angles P-C4'-P energy: -77.244
tors. eta vs tors. theta energy: -179.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1915.341683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.341683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.341683 (E_RNA)
where:
Base-Base interactions energy: -1343.407
where: short stacking energy: -576.908
Base-Backbone interact. energy: -3.573
local terms energy: -568.361604
where:
bonds (distance) C4'-P energy: -108.954
bonds (distance) P-C4' energy: -101.947
flat angles C4'-P-C4' energy: -112.420
flat angles P-C4'-P energy: -80.242
tors. eta vs tors. theta energy: -164.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1853.684131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.684131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.684131 (E_RNA)
where:
Base-Base interactions energy: -1260.672
where: short stacking energy: -524.855
Base-Backbone interact. energy: -4.649
local terms energy: -588.363210
where:
bonds (distance) C4'-P energy: -97.586
bonds (distance) P-C4' energy: -112.567
flat angles C4'-P-C4' energy: -127.040
flat angles P-C4'-P energy: -85.568
tors. eta vs tors. theta energy: -165.602
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: 5
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1783.029259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.029259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.029259 (E_RNA)
where:
Base-Base interactions energy: -1216.858
where: short stacking energy: -521.464
Base-Backbone interact. energy: -5.435
local terms energy: -560.736766
where:
bonds (distance) C4'-P energy: -98.627
bonds (distance) P-C4' energy: -101.975
flat angles C4'-P-C4' energy: -128.154
flat angles P-C4'-P energy: -78.648
tors. eta vs tors. theta energy: -153.333
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: 301
Temperature: 1.150000
Total energy: -1486.943638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.943638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.943638 (E_RNA)
where:
Base-Base interactions energy: -980.971
where: short stacking energy: -404.284
Base-Backbone interact. energy: 5.282
local terms energy: -511.254077
where:
bonds (distance) C4'-P energy: -96.368
bonds (distance) P-C4' energy: -124.926
flat angles C4'-P-C4' energy: -99.444
flat angles P-C4'-P energy: -81.164
tors. eta vs tors. theta energy: -109.353
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: 301
Temperature: 1.200000
Total energy: -1213.432271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.432271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.432271 (E_RNA)
where:
Base-Base interactions energy: -741.084
where: short stacking energy: -337.894
Base-Backbone interact. energy: -1.717
local terms energy: -470.631561
where:
bonds (distance) C4'-P energy: -97.626
bonds (distance) P-C4' energy: -105.498
flat angles C4'-P-C4' energy: -116.544
flat angles P-C4'-P energy: -72.665
tors. eta vs tors. theta energy: -78.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -981.951334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.951334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.951334 (E_RNA)
where:
Base-Base interactions energy: -558.986
where: short stacking energy: -292.735
Base-Backbone interact. energy: -0.164
local terms energy: -422.801373
where:
bonds (distance) C4'-P energy: -95.023
bonds (distance) P-C4' energy: -93.340
flat angles C4'-P-C4' energy: -104.602
flat angles P-C4'-P energy: -80.289
tors. eta vs tors. theta energy: -49.547
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: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -872.152740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.152740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.152740 (E_RNA)
where:
Base-Base interactions energy: -517.455
where: short stacking energy: -267.149
Base-Backbone interact. energy: 1.521
local terms energy: -356.219548
where:
bonds (distance) C4'-P energy: -85.220
bonds (distance) P-C4' energy: -81.514
flat angles C4'-P-C4' energy: -100.768
flat angles P-C4'-P energy: -52.816
tors. eta vs tors. theta energy: -35.900
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: 2
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -513.612015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.612015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.612015 (E_RNA)
where:
Base-Base interactions energy: -195.266
where: short stacking energy: -124.975
Base-Backbone interact. energy: -2.986
local terms energy: -315.360402
where:
bonds (distance) C4'-P energy: -100.176
bonds (distance) P-C4' energy: -106.804
flat angles C4'-P-C4' energy: -83.878
flat angles P-C4'-P energy: -40.110
tors. eta vs tors. theta energy: 15.607
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: 302
Temperature: 0.900000
Total energy: -2081.996800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.996800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.996800 (E_RNA)
where:
Base-Base interactions energy: -1463.792
where: short stacking energy: -597.245
Base-Backbone interact. energy: 0.179
local terms energy: -618.384175
where:
bonds (distance) C4'-P energy: -120.861
bonds (distance) P-C4' energy: -112.199
flat angles C4'-P-C4' energy: -132.538
flat angles P-C4'-P energy: -81.799
tors. eta vs tors. theta energy: -170.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -2007.591868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.591868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.591868 (E_RNA)
where:
Base-Base interactions energy: -1393.985
where: short stacking energy: -560.937
Base-Backbone interact. energy: -3.672
local terms energy: -609.934865
where:
bonds (distance) C4'-P energy: -109.544
bonds (distance) P-C4' energy: -112.531
flat angles C4'-P-C4' energy: -127.407
flat angles P-C4'-P energy: -80.345
tors. eta vs tors. theta energy: -180.108
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: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1940.957436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.957436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.957436 (E_RNA)
where:
Base-Base interactions energy: -1336.172
where: short stacking energy: -551.169
Base-Backbone interact. energy: -1.821
local terms energy: -602.964253
where:
bonds (distance) C4'-P energy: -117.513
bonds (distance) P-C4' energy: -113.763
flat angles C4'-P-C4' energy: -129.809
flat angles P-C4'-P energy: -70.429
tors. eta vs tors. theta energy: -171.450
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: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1836.492587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.492587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.492587 (E_RNA)
where:
Base-Base interactions energy: -1272.112
where: short stacking energy: -533.207
Base-Backbone interact. energy: -3.774
local terms energy: -560.605834
where:
bonds (distance) C4'-P energy: -111.210
bonds (distance) P-C4' energy: -99.698
flat angles C4'-P-C4' energy: -114.845
flat angles P-C4'-P energy: -71.728
tors. eta vs tors. theta energy: -163.125
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: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1767.099664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.099664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.099664 (E_RNA)
where:
Base-Base interactions energy: -1187.154
where: short stacking energy: -514.451
Base-Backbone interact. energy: 0.954
local terms energy: -580.900471
where:
bonds (distance) C4'-P energy: -103.591
bonds (distance) P-C4' energy: -114.367
flat angles C4'-P-C4' energy: -130.826
flat angles P-C4'-P energy: -77.913
tors. eta vs tors. theta energy: -154.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1485.361520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.361520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.361520 (E_RNA)
where:
Base-Base interactions energy: -981.312
where: short stacking energy: -416.062
Base-Backbone interact. energy: -0.845
local terms energy: -503.204147
where:
bonds (distance) C4'-P energy: -86.506
bonds (distance) P-C4' energy: -117.893
flat angles C4'-P-C4' energy: -107.618
flat angles P-C4'-P energy: -71.300
tors. eta vs tors. theta energy: -119.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -1250.713718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.713718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.713718 (E_RNA)
where:
Base-Base interactions energy: -784.079
where: short stacking energy: -345.972
Base-Backbone interact. energy: -0.848
local terms energy: -465.786415
where:
bonds (distance) C4'-P energy: -86.535
bonds (distance) P-C4' energy: -105.703
flat angles C4'-P-C4' energy: -111.304
flat angles P-C4'-P energy: -74.391
tors. eta vs tors. theta energy: -87.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1013.791119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.791119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.791119 (E_RNA)
where:
Base-Base interactions energy: -586.939
where: short stacking energy: -293.524
Base-Backbone interact. energy: -1.763
local terms energy: -425.089560
where:
bonds (distance) C4'-P energy: -99.481
bonds (distance) P-C4' energy: -118.928
flat angles C4'-P-C4' energy: -96.127
flat angles P-C4'-P energy: -69.733
tors. eta vs tors. theta energy: -40.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -961.445568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.445568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.445568 (E_RNA)
where:
Base-Base interactions energy: -573.943
where: short stacking energy: -275.272
Base-Backbone interact. energy: -0.718
local terms energy: -386.784762
where:
bonds (distance) C4'-P energy: -79.656
bonds (distance) P-C4' energy: -105.918
flat angles C4'-P-C4' energy: -119.250
flat angles P-C4'-P energy: -48.860
tors. eta vs tors. theta energy: -33.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -545.481758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.481758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.481758 (E_RNA)
where:
Base-Base interactions energy: -244.921
where: short stacking energy: -150.488
Base-Backbone interact. energy: 1.091
local terms energy: -301.651483
where:
bonds (distance) C4'-P energy: -88.683
bonds (distance) P-C4' energy: -105.006
flat angles C4'-P-C4' energy: -61.105
flat angles P-C4'-P energy: -55.089
tors. eta vs tors. theta energy: 8.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -2120.882058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.882058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.882058 (E_RNA)
where:
Base-Base interactions energy: -1480.850
where: short stacking energy: -602.288
Base-Backbone interact. energy: -2.002
local terms energy: -638.030425
where:
bonds (distance) C4'-P energy: -117.976
bonds (distance) P-C4' energy: -120.427
flat angles C4'-P-C4' energy: -134.231
flat angles P-C4'-P energy: -90.511
tors. eta vs tors. theta energy: -174.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1988.682959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.682959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.682959 (E_RNA)
where:
Base-Base interactions energy: -1375.098
where: short stacking energy: -578.794
Base-Backbone interact. energy: -1.883
local terms energy: -611.702022
where:
bonds (distance) C4'-P energy: -117.661
bonds (distance) P-C4' energy: -107.976
flat angles C4'-P-C4' energy: -132.662
flat angles P-C4'-P energy: -88.859
tors. eta vs tors. theta energy: -164.544
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: 303
Temperature: 1.000000
Total energy: -1927.686315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.686315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.686315 (E_RNA)
where:
Base-Base interactions energy: -1325.746
where: short stacking energy: -554.650
Base-Backbone interact. energy: -3.583
local terms energy: -598.357487
where:
bonds (distance) C4'-P energy: -104.416
bonds (distance) P-C4' energy: -115.444
flat angles C4'-P-C4' energy: -122.552
flat angles P-C4'-P energy: -89.078
tors. eta vs tors. theta energy: -166.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1802.912725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.912725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.912725 (E_RNA)
where:
Base-Base interactions energy: -1240.627
where: short stacking energy: -513.774
Base-Backbone interact. energy: 1.379
local terms energy: -563.665148
where:
bonds (distance) C4'-P energy: -106.342
bonds (distance) P-C4' energy: -107.913
flat angles C4'-P-C4' energy: -129.802
flat angles P-C4'-P energy: -76.277
tors. eta vs tors. theta energy: -143.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1759.995021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.995021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.995021 (E_RNA)
where:
Base-Base interactions energy: -1215.436
where: short stacking energy: -506.347
Base-Backbone interact. energy: -2.011
local terms energy: -542.547213
where:
bonds (distance) C4'-P energy: -111.926
bonds (distance) P-C4' energy: -96.092
flat angles C4'-P-C4' energy: -114.213
flat angles P-C4'-P energy: -69.684
tors. eta vs tors. theta energy: -150.633
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: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1482.321288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.321288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.321288 (E_RNA)
where:
Base-Base interactions energy: -968.413
where: short stacking energy: -418.438
Base-Backbone interact. energy: -1.221
local terms energy: -512.687749
where:
bonds (distance) C4'-P energy: -104.881
bonds (distance) P-C4' energy: -106.652
flat angles C4'-P-C4' energy: -104.793
flat angles P-C4'-P energy: -87.465
tors. eta vs tors. theta energy: -108.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -1180.809374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.809374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.809374 (E_RNA)
where:
Base-Base interactions energy: -737.591
where: short stacking energy: -366.335
Base-Backbone interact. energy: 3.557
local terms energy: -446.774595
where:
bonds (distance) C4'-P energy: -94.707
bonds (distance) P-C4' energy: -95.313
flat angles C4'-P-C4' energy: -114.051
flat angles P-C4'-P energy: -58.350
tors. eta vs tors. theta energy: -84.354
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: 303
Temperature: 1.250000
Total energy: -984.483030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.483030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.483030 (E_RNA)
where:
Base-Base interactions energy: -569.270
where: short stacking energy: -271.789
Base-Backbone interact. energy: -3.547
local terms energy: -411.665473
where:
bonds (distance) C4'-P energy: -99.423
bonds (distance) P-C4' energy: -99.220
flat angles C4'-P-C4' energy: -104.015
flat angles P-C4'-P energy: -58.204
tors. eta vs tors. theta energy: -50.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -929.144899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.144899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.144899 (E_RNA)
where:
Base-Base interactions energy: -548.523
where: short stacking energy: -268.039
Base-Backbone interact. energy: 3.207
local terms energy: -383.828723
where:
bonds (distance) C4'-P energy: -91.696
bonds (distance) P-C4' energy: -101.412
flat angles C4'-P-C4' energy: -97.357
flat angles P-C4'-P energy: -49.982
tors. eta vs tors. theta energy: -43.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -510.000156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.000156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.000156 (E_RNA)
where:
Base-Base interactions energy: -229.283
where: short stacking energy: -154.233
Base-Backbone interact. energy: -1.177
local terms energy: -279.540315
where:
bonds (distance) C4'-P energy: -88.696
bonds (distance) P-C4' energy: -117.164
flat angles C4'-P-C4' energy: -76.644
flat angles P-C4'-P energy: -15.675
tors. eta vs tors. theta energy: 18.639
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: 1, replica: 9
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -2081.603247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.603247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.603247 (E_RNA)
where:
Base-Base interactions energy: -1444.468
where: short stacking energy: -604.517
Base-Backbone interact. energy: -0.337
local terms energy: -636.797871
where:
bonds (distance) C4'-P energy: -118.231
bonds (distance) P-C4' energy: -122.464
flat angles C4'-P-C4' energy: -131.927
flat angles P-C4'-P energy: -96.832
tors. eta vs tors. theta energy: -167.344
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: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -2018.412980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.412980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.412980 (E_RNA)
where:
Base-Base interactions energy: -1385.077
where: short stacking energy: -566.269
Base-Backbone interact. energy: -2.973
local terms energy: -630.362651
where:
bonds (distance) C4'-P energy: -126.297
bonds (distance) P-C4' energy: -115.540
flat angles C4'-P-C4' energy: -138.216
flat angles P-C4'-P energy: -73.552
tors. eta vs tors. theta energy: -176.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1946.060517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.060517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.060517 (E_RNA)
where:
Base-Base interactions energy: -1362.135
where: short stacking energy: -566.418
Base-Backbone interact. energy: 0.102
local terms energy: -584.027568
where:
bonds (distance) C4'-P energy: -92.754
bonds (distance) P-C4' energy: -111.771
flat angles C4'-P-C4' energy: -131.738
flat angles P-C4'-P energy: -75.846
tors. eta vs tors. theta energy: -171.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1819.116965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.116965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.116965 (E_RNA)
where:
Base-Base interactions energy: -1257.245
where: short stacking energy: -530.187
Base-Backbone interact. energy: -5.026
local terms energy: -556.846454
where:
bonds (distance) C4'-P energy: -93.761
bonds (distance) P-C4' energy: -104.734
flat angles C4'-P-C4' energy: -125.360
flat angles P-C4'-P energy: -81.224
tors. eta vs tors. theta energy: -151.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1726.898731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.898731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.898731 (E_RNA)
where:
Base-Base interactions energy: -1193.418
where: short stacking energy: -494.898
Base-Backbone interact. energy: -1.174
local terms energy: -532.306657
where:
bonds (distance) C4'-P energy: -100.324
bonds (distance) P-C4' energy: -102.615
flat angles C4'-P-C4' energy: -110.386
flat angles P-C4'-P energy: -70.017
tors. eta vs tors. theta energy: -148.965
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: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1516.862823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.862823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.862823 (E_RNA)
where:
Base-Base interactions energy: -995.666
where: short stacking energy: -440.809
Base-Backbone interact. energy: -2.262
local terms energy: -518.934118
where:
bonds (distance) C4'-P energy: -101.197
bonds (distance) P-C4' energy: -119.559
flat angles C4'-P-C4' energy: -105.569
flat angles P-C4'-P energy: -69.491
tors. eta vs tors. theta energy: -123.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -1142.557650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.557650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.557650 (E_RNA)
where:
Base-Base interactions energy: -697.415
where: short stacking energy: -338.919
Base-Backbone interact. energy: -1.976
local terms energy: -443.166630
where:
bonds (distance) C4'-P energy: -91.737
bonds (distance) P-C4' energy: -97.329
flat angles C4'-P-C4' energy: -122.148
flat angles P-C4'-P energy: -60.877
tors. eta vs tors. theta energy: -71.075
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: 304
Temperature: 1.250000
Total energy: -983.488459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.488459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.488459 (E_RNA)
where:
Base-Base interactions energy: -605.290
where: short stacking energy: -308.741
Base-Backbone interact. energy: -1.307
local terms energy: -376.891600
where:
bonds (distance) C4'-P energy: -89.438
bonds (distance) P-C4' energy: -83.502
flat angles C4'-P-C4' energy: -87.798
flat angles P-C4'-P energy: -58.676
tors. eta vs tors. theta energy: -57.478
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: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -940.884419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.884419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.884419 (E_RNA)
where:
Base-Base interactions energy: -542.345
where: short stacking energy: -251.287
Base-Backbone interact. energy: -1.653
local terms energy: -396.886795
where:
bonds (distance) C4'-P energy: -107.025
bonds (distance) P-C4' energy: -93.926
flat angles C4'-P-C4' energy: -93.972
flat angles P-C4'-P energy: -62.272
tors. eta vs tors. theta energy: -39.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -569.321508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.321508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.321508 (E_RNA)
where:
Base-Base interactions energy: -237.177
where: short stacking energy: -135.782
Base-Backbone interact. energy: -2.890
local terms energy: -329.254443
where:
bonds (distance) C4'-P energy: -93.939
bonds (distance) P-C4' energy: -95.653
flat angles C4'-P-C4' energy: -87.178
flat angles P-C4'-P energy: -55.917
tors. eta vs tors. theta energy: 3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -2101.880356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.880356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.880356 (E_RNA)
where:
Base-Base interactions energy: -1471.671
where: short stacking energy: -613.619
Base-Backbone interact. energy: -2.488
local terms energy: -627.721320
where:
bonds (distance) C4'-P energy: -106.734
bonds (distance) P-C4' energy: -116.452
flat angles C4'-P-C4' energy: -141.455
flat angles P-C4'-P energy: -89.714
tors. eta vs tors. theta energy: -173.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -2027.472537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.472537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.472537 (E_RNA)
where:
Base-Base interactions energy: -1442.116
where: short stacking energy: -581.857
Base-Backbone interact. energy: -3.478
local terms energy: -581.878718
where:
bonds (distance) C4'-P energy: -95.420
bonds (distance) P-C4' energy: -116.428
flat angles C4'-P-C4' energy: -125.691
flat angles P-C4'-P energy: -79.974
tors. eta vs tors. theta energy: -164.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1917.665097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.665097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.665097 (E_RNA)
where:
Base-Base interactions energy: -1321.834
where: short stacking energy: -570.608
Base-Backbone interact. energy: 2.778
local terms energy: -598.609801
where:
bonds (distance) C4'-P energy: -100.092
bonds (distance) P-C4' energy: -109.301
flat angles C4'-P-C4' energy: -133.454
flat angles P-C4'-P energy: -86.118
tors. eta vs tors. theta energy: -169.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1846.116942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.116942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.116942 (E_RNA)
where:
Base-Base interactions energy: -1269.885
where: short stacking energy: -558.546
Base-Backbone interact. energy: -0.107
local terms energy: -576.125341
where:
bonds (distance) C4'-P energy: -114.568
bonds (distance) P-C4' energy: -95.885
flat angles C4'-P-C4' energy: -135.127
flat angles P-C4'-P energy: -71.885
tors. eta vs tors. theta energy: -158.662
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: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1733.645924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.645924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.645924 (E_RNA)
where:
Base-Base interactions energy: -1198.753
where: short stacking energy: -498.722
Base-Backbone interact. energy: -0.894
local terms energy: -533.999627
where:
bonds (distance) C4'-P energy: -89.227
bonds (distance) P-C4' energy: -101.542
flat angles C4'-P-C4' energy: -116.813
flat angles P-C4'-P energy: -85.746
tors. eta vs tors. theta energy: -140.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1462.702116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.702116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.702116 (E_RNA)
where:
Base-Base interactions energy: -954.619
where: short stacking energy: -422.419
Base-Backbone interact. energy: -3.923
local terms energy: -504.160477
where:
bonds (distance) C4'-P energy: -88.600
bonds (distance) P-C4' energy: -113.739
flat angles C4'-P-C4' energy: -110.670
flat angles P-C4'-P energy: -76.762
tors. eta vs tors. theta energy: -114.389
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: 305
Temperature: 1.200000
Total energy: -1071.576151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.576151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.576151 (E_RNA)
where:
Base-Base interactions energy: -644.163
where: short stacking energy: -317.960
Base-Backbone interact. energy: -1.635
local terms energy: -425.778089
where:
bonds (distance) C4'-P energy: -90.021
bonds (distance) P-C4' energy: -93.850
flat angles C4'-P-C4' energy: -104.605
flat angles P-C4'-P energy: -66.794
tors. eta vs tors. theta energy: -70.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1006.302802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.302802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.302802 (E_RNA)
where:
Base-Base interactions energy: -578.580
where: short stacking energy: -289.551
Base-Backbone interact. energy: -0.887
local terms energy: -426.835425
where:
bonds (distance) C4'-P energy: -95.888
bonds (distance) P-C4' energy: -116.646
flat angles C4'-P-C4' energy: -99.166
flat angles P-C4'-P energy: -59.252
tors. eta vs tors. theta energy: -55.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1025.007393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.007393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.007393 (E_RNA)
where:
Base-Base interactions energy: -655.563
where: short stacking energy: -297.002
Base-Backbone interact. energy: -0.121
local terms energy: -369.323330
where:
bonds (distance) C4'-P energy: -76.745
bonds (distance) P-C4' energy: -106.799
flat angles C4'-P-C4' energy: -93.708
flat angles P-C4'-P energy: -47.042
tors. eta vs tors. theta energy: -45.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -533.144717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.144717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.144717 (E_RNA)
where:
Base-Base interactions energy: -237.308
where: short stacking energy: -164.602
Base-Backbone interact. energy: -2.315
local terms energy: -293.521973
where:
bonds (distance) C4'-P energy: -77.636
bonds (distance) P-C4' energy: -106.448
flat angles C4'-P-C4' energy: -88.046
flat angles P-C4'-P energy: -28.758
tors. eta vs tors. theta energy: 7.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -2110.181900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.181900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.181900 (E_RNA)
where:
Base-Base interactions energy: -1494.396
where: short stacking energy: -622.332
Base-Backbone interact. energy: -0.518
local terms energy: -615.268159
where:
bonds (distance) C4'-P energy: -99.383
bonds (distance) P-C4' energy: -119.958
flat angles C4'-P-C4' energy: -120.738
flat angles P-C4'-P energy: -96.194
tors. eta vs tors. theta energy: -178.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -2022.950980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.950980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.950980 (E_RNA)
where:
Base-Base interactions energy: -1410.651
where: short stacking energy: -560.583
Base-Backbone interact. energy: -1.981
local terms energy: -610.319265
where:
bonds (distance) C4'-P energy: -114.096
bonds (distance) P-C4' energy: -112.148
flat angles C4'-P-C4' energy: -134.453
flat angles P-C4'-P energy: -82.377
tors. eta vs tors. theta energy: -167.246
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: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1901.461209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.461209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.461209 (E_RNA)
where:
Base-Base interactions energy: -1309.742
where: short stacking energy: -542.723
Base-Backbone interact. energy: 0.192
local terms energy: -591.911285
where:
bonds (distance) C4'-P energy: -106.846
bonds (distance) P-C4' energy: -113.998
flat angles C4'-P-C4' energy: -121.262
flat angles P-C4'-P energy: -85.520
tors. eta vs tors. theta energy: -164.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1845.144520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.144520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.144520 (E_RNA)
where:
Base-Base interactions energy: -1271.305
where: short stacking energy: -534.980
Base-Backbone interact. energy: -2.029
local terms energy: -571.810660
where:
bonds (distance) C4'-P energy: -111.305
bonds (distance) P-C4' energy: -110.517
flat angles C4'-P-C4' energy: -126.802
flat angles P-C4'-P energy: -72.732
tors. eta vs tors. theta energy: -150.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1729.935203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.935203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.935203 (E_RNA)
where:
Base-Base interactions energy: -1199.202
where: short stacking energy: -510.551
Base-Backbone interact. energy: -2.421
local terms energy: -528.312771
where:
bonds (distance) C4'-P energy: -98.170
bonds (distance) P-C4' energy: -102.315
flat angles C4'-P-C4' energy: -112.993
flat angles P-C4'-P energy: -77.475
tors. eta vs tors. theta energy: -137.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1489.496657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.496657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.496657 (E_RNA)
where:
Base-Base interactions energy: -1014.247
where: short stacking energy: -407.542
Base-Backbone interact. energy: 0.042
local terms energy: -475.291684
where:
bonds (distance) C4'-P energy: -90.618
bonds (distance) P-C4' energy: -102.928
flat angles C4'-P-C4' energy: -106.740
flat angles P-C4'-P energy: -66.860
tors. eta vs tors. theta energy: -108.146
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: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1097.944711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.944711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.944711 (E_RNA)
where:
Base-Base interactions energy: -660.008
where: short stacking energy: -332.854
Base-Backbone interact. energy: 8.966
local terms energy: -446.903219
where:
bonds (distance) C4'-P energy: -85.771
bonds (distance) P-C4' energy: -105.337
flat angles C4'-P-C4' energy: -103.191
flat angles P-C4'-P energy: -81.765
tors. eta vs tors. theta energy: -70.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -987.208668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.208668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.208668 (E_RNA)
where:
Base-Base interactions energy: -574.036
where: short stacking energy: -291.515
Base-Backbone interact. energy: -1.501
local terms energy: -411.672352
where:
bonds (distance) C4'-P energy: -102.144
bonds (distance) P-C4' energy: -100.182
flat angles C4'-P-C4' energy: -90.875
flat angles P-C4'-P energy: -59.973
tors. eta vs tors. theta energy: -58.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1039.557709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.557709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.557709 (E_RNA)
where:
Base-Base interactions energy: -661.927
where: short stacking energy: -314.982
Base-Backbone interact. energy: -1.561
local terms energy: -376.070260
where:
bonds (distance) C4'-P energy: -91.462
bonds (distance) P-C4' energy: -100.654
flat angles C4'-P-C4' energy: -93.082
flat angles P-C4'-P energy: -43.255
tors. eta vs tors. theta energy: -47.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -507.515903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.515903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.515903 (E_RNA)
where:
Base-Base interactions energy: -201.036
where: short stacking energy: -140.806
Base-Backbone interact. energy: -2.391
local terms energy: -304.088877
where:
bonds (distance) C4'-P energy: -89.915
bonds (distance) P-C4' energy: -98.927
flat angles C4'-P-C4' energy: -81.515
flat angles P-C4'-P energy: -34.529
tors. eta vs tors. theta energy: 0.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -2102.986712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.986712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.986712 (E_RNA)
where:
Base-Base interactions energy: -1476.917
where: short stacking energy: -613.700
Base-Backbone interact. energy: 1.710
local terms energy: -627.779923
where:
bonds (distance) C4'-P energy: -121.683
bonds (distance) P-C4' energy: -110.822
flat angles C4'-P-C4' energy: -130.386
flat angles P-C4'-P energy: -86.251
tors. eta vs tors. theta energy: -178.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -2032.537433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.537433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.537433 (E_RNA)
where:
Base-Base interactions energy: -1437.017
where: short stacking energy: -575.245
Base-Backbone interact. energy: -4.101
local terms energy: -591.420054
where:
bonds (distance) C4'-P energy: -107.986
bonds (distance) P-C4' energy: -101.663
flat angles C4'-P-C4' energy: -127.038
flat angles P-C4'-P energy: -82.468
tors. eta vs tors. theta energy: -172.264
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: 307
Temperature: 1.000000
Total energy: -1903.538310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.538310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.538310 (E_RNA)
where:
Base-Base interactions energy: -1310.948
where: short stacking energy: -536.918
Base-Backbone interact. energy: -4.040
local terms energy: -588.549859
where:
bonds (distance) C4'-P energy: -109.990
bonds (distance) P-C4' energy: -118.846
flat angles C4'-P-C4' energy: -123.702
flat angles P-C4'-P energy: -85.838
tors. eta vs tors. theta energy: -150.173
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: 6
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1816.081949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.081949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.081949 (E_RNA)
where:
Base-Base interactions energy: -1257.862
where: short stacking energy: -549.662
Base-Backbone interact. energy: -1.644
local terms energy: -556.575309
where:
bonds (distance) C4'-P energy: -98.148
bonds (distance) P-C4' energy: -100.405
flat angles C4'-P-C4' energy: -120.843
flat angles P-C4'-P energy: -79.383
tors. eta vs tors. theta energy: -157.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1758.570813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.570813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.570813 (E_RNA)
where:
Base-Base interactions energy: -1226.049
where: short stacking energy: -527.939
Base-Backbone interact. energy: 6.297
local terms energy: -538.818682
where:
bonds (distance) C4'-P energy: -101.857
bonds (distance) P-C4' energy: -114.921
flat angles C4'-P-C4' energy: -113.568
flat angles P-C4'-P energy: -59.106
tors. eta vs tors. theta energy: -149.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1477.036967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.036967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.036967 (E_RNA)
where:
Base-Base interactions energy: -1013.857
where: short stacking energy: -404.681
Base-Backbone interact. energy: -3.890
local terms energy: -459.290736
where:
bonds (distance) C4'-P energy: -94.658
bonds (distance) P-C4' energy: -112.893
flat angles C4'-P-C4' energy: -97.035
flat angles P-C4'-P energy: -64.246
tors. eta vs tors. theta energy: -90.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1118.355621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.355621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.355621 (E_RNA)
where:
Base-Base interactions energy: -692.239
where: short stacking energy: -345.684
Base-Backbone interact. energy: 0.944
local terms energy: -427.061254
where:
bonds (distance) C4'-P energy: -86.861
bonds (distance) P-C4' energy: -100.077
flat angles C4'-P-C4' energy: -95.210
flat angles P-C4'-P energy: -69.105
tors. eta vs tors. theta energy: -75.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1065.362814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.362814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.362814 (E_RNA)
where:
Base-Base interactions energy: -649.287
where: short stacking energy: -288.955
Base-Backbone interact. energy: -3.035
local terms energy: -413.040098
where:
bonds (distance) C4'-P energy: -89.366
bonds (distance) P-C4' energy: -116.593
flat angles C4'-P-C4' energy: -92.677
flat angles P-C4'-P energy: -58.314
tors. eta vs tors. theta energy: -56.090
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: 9, replica: 10
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -907.449607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.449607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.449607 (E_RNA)
where:
Base-Base interactions energy: -546.070
where: short stacking energy: -248.441
Base-Backbone interact. energy: 0.794
local terms energy: -362.173264
where:
bonds (distance) C4'-P energy: -96.589
bonds (distance) P-C4' energy: -90.388
flat angles C4'-P-C4' energy: -82.687
flat angles P-C4'-P energy: -54.711
tors. eta vs tors. theta energy: -37.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -523.943842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.943842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.943842 (E_RNA)
where:
Base-Base interactions energy: -229.971
where: short stacking energy: -128.920
Base-Backbone interact. energy: 0.864
local terms energy: -294.836509
where:
bonds (distance) C4'-P energy: -98.352
bonds (distance) P-C4' energy: -95.970
flat angles C4'-P-C4' energy: -85.462
flat angles P-C4'-P energy: -28.778
tors. eta vs tors. theta energy: 13.726
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: 9
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -2080.056392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.056392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.056392 (E_RNA)
where:
Base-Base interactions energy: -1465.820
where: short stacking energy: -615.476
Base-Backbone interact. energy: -0.980
local terms energy: -613.256372
where:
bonds (distance) C4'-P energy: -104.041
bonds (distance) P-C4' energy: -106.567
flat angles C4'-P-C4' energy: -138.779
flat angles P-C4'-P energy: -89.523
tors. eta vs tors. theta energy: -174.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1997.217721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.217721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.217721 (E_RNA)
where:
Base-Base interactions energy: -1372.975
where: short stacking energy: -575.378
Base-Backbone interact. energy: 2.168
local terms energy: -626.410791
where:
bonds (distance) C4'-P energy: -105.762
bonds (distance) P-C4' energy: -133.995
flat angles C4'-P-C4' energy: -128.107
flat angles P-C4'-P energy: -80.402
tors. eta vs tors. theta energy: -178.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1889.623944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.623944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.623944 (E_RNA)
where:
Base-Base interactions energy: -1315.691
where: short stacking energy: -544.266
Base-Backbone interact. energy: 0.527
local terms energy: -574.459946
where:
bonds (distance) C4'-P energy: -102.972
bonds (distance) P-C4' energy: -112.867
flat angles C4'-P-C4' energy: -125.851
flat angles P-C4'-P energy: -81.729
tors. eta vs tors. theta energy: -151.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1826.650505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.650505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.650505 (E_RNA)
where:
Base-Base interactions energy: -1271.433
where: short stacking energy: -503.675
Base-Backbone interact. energy: -2.449
local terms energy: -552.769174
where:
bonds (distance) C4'-P energy: -97.196
bonds (distance) P-C4' energy: -116.544
flat angles C4'-P-C4' energy: -104.060
flat angles P-C4'-P energy: -80.086
tors. eta vs tors. theta energy: -154.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1693.960092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.960092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.960092 (E_RNA)
where:
Base-Base interactions energy: -1148.886
where: short stacking energy: -477.364
Base-Backbone interact. energy: -3.651
local terms energy: -541.423450
where:
bonds (distance) C4'-P energy: -101.961
bonds (distance) P-C4' energy: -104.097
flat angles C4'-P-C4' energy: -122.744
flat angles P-C4'-P energy: -79.684
tors. eta vs tors. theta energy: -132.937
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: 6, replica: 1
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1468.031973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.031973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.031973 (E_RNA)
where:
Base-Base interactions energy: -967.902
where: short stacking energy: -397.009
Base-Backbone interact. energy: -0.482
local terms energy: -499.647886
where:
bonds (distance) C4'-P energy: -103.273
bonds (distance) P-C4' energy: -119.697
flat angles C4'-P-C4' energy: -111.348
flat angles P-C4'-P energy: -76.127
tors. eta vs tors. theta energy: -89.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1132.220534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.220534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.220534 (E_RNA)
where:
Base-Base interactions energy: -698.453
where: short stacking energy: -349.867
Base-Backbone interact. energy: 0.644
local terms energy: -434.412212
where:
bonds (distance) C4'-P energy: -80.981
bonds (distance) P-C4' energy: -116.181
flat angles C4'-P-C4' energy: -97.679
flat angles P-C4'-P energy: -69.464
tors. eta vs tors. theta energy: -70.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1114.481752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.481752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.481752 (E_RNA)
where:
Base-Base interactions energy: -686.299
where: short stacking energy: -343.831
Base-Backbone interact. energy: 2.991
local terms energy: -431.174430
where:
bonds (distance) C4'-P energy: -98.961
bonds (distance) P-C4' energy: -95.297
flat angles C4'-P-C4' energy: -110.027
flat angles P-C4'-P energy: -48.964
tors. eta vs tors. theta energy: -77.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -894.196412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.196412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.196412 (E_RNA)
where:
Base-Base interactions energy: -525.850
where: short stacking energy: -242.853
Base-Backbone interact. energy: 0.887
local terms energy: -369.233098
where:
bonds (distance) C4'-P energy: -94.142
bonds (distance) P-C4' energy: -100.977
flat angles C4'-P-C4' energy: -90.923
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: -33.909
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: 2
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -527.537981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.537981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.537981 (E_RNA)
where:
Base-Base interactions energy: -235.456
where: short stacking energy: -138.477
Base-Backbone interact. energy: 2.482
local terms energy: -294.564026
where:
bonds (distance) C4'-P energy: -99.419
bonds (distance) P-C4' energy: -89.736
flat angles C4'-P-C4' energy: -86.370
flat angles P-C4'-P energy: -41.473
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: 1, replica: 9
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -2117.907240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.907240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.907240 (E_RNA)
where:
Base-Base interactions energy: -1479.614
where: short stacking energy: -617.673
Base-Backbone interact. energy: -2.158
local terms energy: -636.135469
where:
bonds (distance) C4'-P energy: -112.393
bonds (distance) P-C4' energy: -120.966
flat angles C4'-P-C4' energy: -135.249
flat angles P-C4'-P energy: -96.232
tors. eta vs tors. theta energy: -171.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -2026.707818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.707818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.707818 (E_RNA)
where:
Base-Base interactions energy: -1408.616
where: short stacking energy: -594.935
Base-Backbone interact. energy: -5.359
local terms energy: -612.733073
where:
bonds (distance) C4'-P energy: -104.918
bonds (distance) P-C4' energy: -112.412
flat angles C4'-P-C4' energy: -130.817
flat angles P-C4'-P energy: -85.084
tors. eta vs tors. theta energy: -179.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1932.974734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.974734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.974734 (E_RNA)
where:
Base-Base interactions energy: -1370.346
where: short stacking energy: -568.210
Base-Backbone interact. energy: -1.991
local terms energy: -560.637560
where:
bonds (distance) C4'-P energy: -106.277
bonds (distance) P-C4' energy: -101.612
flat angles C4'-P-C4' energy: -119.726
flat angles P-C4'-P energy: -70.280
tors. eta vs tors. theta energy: -162.742
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: 6
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1853.795334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.795334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.795334 (E_RNA)
where:
Base-Base interactions energy: -1279.700
where: short stacking energy: -517.735
Base-Backbone interact. energy: 0.234
local terms energy: -574.329026
where:
bonds (distance) C4'-P energy: -107.061
bonds (distance) P-C4' energy: -101.031
flat angles C4'-P-C4' energy: -130.898
flat angles P-C4'-P energy: -87.801
tors. eta vs tors. theta energy: -147.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1697.223485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.223485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.223485 (E_RNA)
where:
Base-Base interactions energy: -1138.555
where: short stacking energy: -472.947
Base-Backbone interact. energy: -4.995
local terms energy: -553.673412
where:
bonds (distance) C4'-P energy: -94.084
bonds (distance) P-C4' energy: -111.608
flat angles C4'-P-C4' energy: -125.004
flat angles P-C4'-P energy: -84.790
tors. eta vs tors. theta energy: -138.187
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: 6, replica: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1537.817803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.817803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.817803 (E_RNA)
where:
Base-Base interactions energy: -1036.272
where: short stacking energy: -435.079
Base-Backbone interact. energy: -3.252
local terms energy: -498.293594
where:
bonds (distance) C4'-P energy: -94.407
bonds (distance) P-C4' energy: -101.581
flat angles C4'-P-C4' energy: -111.365
flat angles P-C4'-P energy: -76.550
tors. eta vs tors. theta energy: -114.390
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: 4
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1173.490238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.490238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.490238 (E_RNA)
where:
Base-Base interactions energy: -763.033
where: short stacking energy: -355.768
Base-Backbone interact. energy: 2.603
local terms energy: -413.060589
where:
bonds (distance) C4'-P energy: -92.709
bonds (distance) P-C4' energy: -96.751
flat angles C4'-P-C4' energy: -81.334
flat angles P-C4'-P energy: -51.355
tors. eta vs tors. theta energy: -90.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1076.962187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.962187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.962187 (E_RNA)
where:
Base-Base interactions energy: -632.684
where: short stacking energy: -322.016
Base-Backbone interact. energy: -0.274
local terms energy: -444.004836
where:
bonds (distance) C4'-P energy: -102.462
bonds (distance) P-C4' energy: -109.479
flat angles C4'-P-C4' energy: -102.490
flat angles P-C4'-P energy: -65.289
tors. eta vs tors. theta energy: -64.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -918.684353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.684353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.684353 (E_RNA)
where:
Base-Base interactions energy: -541.785
where: short stacking energy: -258.508
Base-Backbone interact. energy: 2.597
local terms energy: -379.496417
where:
bonds (distance) C4'-P energy: -84.325
bonds (distance) P-C4' energy: -111.331
flat angles C4'-P-C4' energy: -84.727
flat angles P-C4'-P energy: -66.192
tors. eta vs tors. theta energy: -32.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -565.157770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.157770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.157770 (E_RNA)
where:
Base-Base interactions energy: -257.568
where: short stacking energy: -150.869
Base-Backbone interact. energy: 3.043
local terms energy: -310.632530
where:
bonds (distance) C4'-P energy: -102.208
bonds (distance) P-C4' energy: -90.627
flat angles C4'-P-C4' energy: -77.263
flat angles P-C4'-P energy: -47.726
tors. eta vs tors. theta energy: 7.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -2102.005168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.005168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.005168 (E_RNA)
where:
Base-Base interactions energy: -1477.041
where: short stacking energy: -625.463
Base-Backbone interact. energy: -0.588
local terms energy: -624.376636
where:
bonds (distance) C4'-P energy: -107.925
bonds (distance) P-C4' energy: -118.672
flat angles C4'-P-C4' energy: -137.775
flat angles P-C4'-P energy: -80.540
tors. eta vs tors. theta energy: -179.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -2006.133765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.133765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.133765 (E_RNA)
where:
Base-Base interactions energy: -1398.438
where: short stacking energy: -567.497
Base-Backbone interact. energy: 2.238
local terms energy: -609.933424
where:
bonds (distance) C4'-P energy: -116.095
bonds (distance) P-C4' energy: -108.174
flat angles C4'-P-C4' energy: -139.639
flat angles P-C4'-P energy: -85.305
tors. eta vs tors. theta energy: -160.721
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: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1890.101876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.101876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.101876 (E_RNA)
where:
Base-Base interactions energy: -1327.331
where: short stacking energy: -527.628
Base-Backbone interact. energy: 1.297
local terms energy: -564.067894
where:
bonds (distance) C4'-P energy: -98.907
bonds (distance) P-C4' energy: -114.281
flat angles C4'-P-C4' energy: -125.495
flat angles P-C4'-P energy: -73.490
tors. eta vs tors. theta energy: -151.895
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: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1800.527751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.527751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.527751 (E_RNA)
where:
Base-Base interactions energy: -1255.377
where: short stacking energy: -535.237
Base-Backbone interact. energy: 6.232
local terms energy: -551.382805
where:
bonds (distance) C4'-P energy: -110.332
bonds (distance) P-C4' energy: -101.588
flat angles C4'-P-C4' energy: -122.295
flat angles P-C4'-P energy: -65.651
tors. eta vs tors. theta energy: -151.517
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: 310
Temperature: 1.100000
Total energy: -1727.654834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.654834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.654834 (E_RNA)
where:
Base-Base interactions energy: -1164.922
where: short stacking energy: -495.474
Base-Backbone interact. energy: 6.243
local terms energy: -568.976086
where:
bonds (distance) C4'-P energy: -105.653
bonds (distance) P-C4' energy: -111.642
flat angles C4'-P-C4' energy: -113.081
flat angles P-C4'-P energy: -88.393
tors. eta vs tors. theta energy: -150.207
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: 310
Temperature: 1.150000
Total energy: -1492.326424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.326424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.326424 (E_RNA)
where:
Base-Base interactions energy: -1001.572
where: short stacking energy: -407.965
Base-Backbone interact. energy: -1.488
local terms energy: -489.265757
where:
bonds (distance) C4'-P energy: -99.342
bonds (distance) P-C4' energy: -89.208
flat angles C4'-P-C4' energy: -111.377
flat angles P-C4'-P energy: -79.071
tors. eta vs tors. theta energy: -110.268
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: 3
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1143.864123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.864123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.864123 (E_RNA)
where:
Base-Base interactions energy: -701.960
where: short stacking energy: -357.437
Base-Backbone interact. energy: 0.313
local terms energy: -442.217471
where:
bonds (distance) C4'-P energy: -94.391
bonds (distance) P-C4' energy: -93.014
flat angles C4'-P-C4' energy: -115.767
flat angles P-C4'-P energy: -60.750
tors. eta vs tors. theta energy: -78.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1044.671828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.671828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.671828 (E_RNA)
where:
Base-Base interactions energy: -641.343
where: short stacking energy: -313.316
Base-Backbone interact. energy: 0.254
local terms energy: -403.582792
where:
bonds (distance) C4'-P energy: -94.079
bonds (distance) P-C4' energy: -101.789
flat angles C4'-P-C4' energy: -105.306
flat angles P-C4'-P energy: -54.147
tors. eta vs tors. theta energy: -48.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -909.335038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.335038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.335038 (E_RNA)
where:
Base-Base interactions energy: -524.498
where: short stacking energy: -244.605
Base-Backbone interact. energy: 0.475
local terms energy: -385.312223
where:
bonds (distance) C4'-P energy: -77.529
bonds (distance) P-C4' energy: -104.451
flat angles C4'-P-C4' energy: -94.977
flat angles P-C4'-P energy: -62.650
tors. eta vs tors. theta energy: -45.705
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: 2
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -557.257167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.257167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.257167 (E_RNA)
where:
Base-Base interactions energy: -249.302
where: short stacking energy: -162.498
Base-Backbone interact. energy: -1.610
local terms energy: -306.345849
where:
bonds (distance) C4'-P energy: -72.914
bonds (distance) P-C4' energy: -102.234
flat angles C4'-P-C4' energy: -82.787
flat angles P-C4'-P energy: -52.713
tors. eta vs tors. theta energy: 4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -2111.286275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.286275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.286275 (E_RNA)
where:
Base-Base interactions energy: -1467.476
where: short stacking energy: -607.768
Base-Backbone interact. energy: 1.517
local terms energy: -645.327100
where:
bonds (distance) C4'-P energy: -111.521
bonds (distance) P-C4' energy: -127.407
flat angles C4'-P-C4' energy: -140.101
flat angles P-C4'-P energy: -90.478
tors. eta vs tors. theta energy: -175.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -2009.803909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.803909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.803909 (E_RNA)
where:
Base-Base interactions energy: -1416.933
where: short stacking energy: -581.417
Base-Backbone interact. energy: -2.979
local terms energy: -589.891975
where:
bonds (distance) C4'-P energy: -97.810
bonds (distance) P-C4' energy: -106.391
flat angles C4'-P-C4' energy: -138.975
flat angles P-C4'-P energy: -82.816
tors. eta vs tors. theta energy: -163.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1910.614420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.614420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.614420 (E_RNA)
where:
Base-Base interactions energy: -1330.279
where: short stacking energy: -553.371
Base-Backbone interact. energy: 3.824
local terms energy: -584.159062
where:
bonds (distance) C4'-P energy: -103.716
bonds (distance) P-C4' energy: -113.778
flat angles C4'-P-C4' energy: -119.868
flat angles P-C4'-P energy: -84.115
tors. eta vs tors. theta energy: -162.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1822.456889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.456889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.456889 (E_RNA)
where:
Base-Base interactions energy: -1248.619
where: short stacking energy: -539.322
Base-Backbone interact. energy: -1.485
local terms energy: -572.352791
where:
bonds (distance) C4'-P energy: -97.525
bonds (distance) P-C4' energy: -110.967
flat angles C4'-P-C4' energy: -124.398
flat angles P-C4'-P energy: -82.009
tors. eta vs tors. theta energy: -157.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1723.239397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.239397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.239397 (E_RNA)
where:
Base-Base interactions energy: -1168.075
where: short stacking energy: -481.343
Base-Backbone interact. energy: 2.523
local terms energy: -557.687013
where:
bonds (distance) C4'-P energy: -92.480
bonds (distance) P-C4' energy: -123.264
flat angles C4'-P-C4' energy: -114.999
flat angles P-C4'-P energy: -86.058
tors. eta vs tors. theta energy: -140.887
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: 311
Temperature: 1.150000
Total energy: -1462.216133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.216133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.216133 (E_RNA)
where:
Base-Base interactions energy: -968.105
where: short stacking energy: -416.191
Base-Backbone interact. energy: -0.258
local terms energy: -493.853347
where:
bonds (distance) C4'-P energy: -101.140
bonds (distance) P-C4' energy: -111.930
flat angles C4'-P-C4' energy: -105.176
flat angles P-C4'-P energy: -83.147
tors. eta vs tors. theta energy: -92.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1162.451421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.451421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.451421 (E_RNA)
where:
Base-Base interactions energy: -726.157
where: short stacking energy: -362.165
Base-Backbone interact. energy: -2.578
local terms energy: -433.715739
where:
bonds (distance) C4'-P energy: -93.504
bonds (distance) P-C4' energy: -104.819
flat angles C4'-P-C4' energy: -104.272
flat angles P-C4'-P energy: -48.573
tors. eta vs tors. theta energy: -82.548
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: 311
Temperature: 1.250000
Total energy: -1088.791342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.791342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.791342 (E_RNA)
where:
Base-Base interactions energy: -653.673
where: short stacking energy: -323.113
Base-Backbone interact. energy: -2.273
local terms energy: -432.845408
where:
bonds (distance) C4'-P energy: -81.743
bonds (distance) P-C4' energy: -99.351
flat angles C4'-P-C4' energy: -109.519
flat angles P-C4'-P energy: -74.338
tors. eta vs tors. theta energy: -67.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -952.502328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.502328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.502328 (E_RNA)
where:
Base-Base interactions energy: -540.067
where: short stacking energy: -283.345
Base-Backbone interact. energy: -1.944
local terms energy: -410.490895
where:
bonds (distance) C4'-P energy: -100.040
bonds (distance) P-C4' energy: -101.333
flat angles C4'-P-C4' energy: -107.086
flat angles P-C4'-P energy: -45.979
tors. eta vs tors. theta energy: -56.053
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: 2
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -611.392339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.392339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.392339 (E_RNA)
where:
Base-Base interactions energy: -313.535
where: short stacking energy: -176.150
Base-Backbone interact. energy: -0.020
local terms energy: -297.837815
where:
bonds (distance) C4'-P energy: -98.228
bonds (distance) P-C4' energy: -86.023
flat angles C4'-P-C4' energy: -68.090
flat angles P-C4'-P energy: -37.272
tors. eta vs tors. theta energy: -8.224
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: 9
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -2127.465218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.465218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.465218 (E_RNA)
where:
Base-Base interactions energy: -1501.202
where: short stacking energy: -630.500
Base-Backbone interact. energy: -0.203
local terms energy: -626.060067
where:
bonds (distance) C4'-P energy: -113.541
bonds (distance) P-C4' energy: -109.499
flat angles C4'-P-C4' energy: -132.610
flat angles P-C4'-P energy: -93.113
tors. eta vs tors. theta energy: -177.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -2018.219237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.219237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.219237 (E_RNA)
where:
Base-Base interactions energy: -1422.201
where: short stacking energy: -589.504
Base-Backbone interact. energy: -1.072
local terms energy: -594.945783
where:
bonds (distance) C4'-P energy: -96.335
bonds (distance) P-C4' energy: -113.505
flat angles C4'-P-C4' energy: -128.230
flat angles P-C4'-P energy: -88.200
tors. eta vs tors. theta energy: -168.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1922.041663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.041663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.041663 (E_RNA)
where:
Base-Base interactions energy: -1348.105
where: short stacking energy: -566.390
Base-Backbone interact. energy: -1.790
local terms energy: -572.146184
where:
bonds (distance) C4'-P energy: -97.330
bonds (distance) P-C4' energy: -101.387
flat angles C4'-P-C4' energy: -122.657
flat angles P-C4'-P energy: -86.165
tors. eta vs tors. theta energy: -164.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1805.374563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.374563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.374563 (E_RNA)
where:
Base-Base interactions energy: -1235.244
where: short stacking energy: -530.980
Base-Backbone interact. energy: -2.383
local terms energy: -567.747422
where:
bonds (distance) C4'-P energy: -89.409
bonds (distance) P-C4' energy: -102.453
flat angles C4'-P-C4' energy: -138.552
flat angles P-C4'-P energy: -86.140
tors. eta vs tors. theta energy: -151.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1798.520919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.520919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.520919 (E_RNA)
where:
Base-Base interactions energy: -1243.822
where: short stacking energy: -524.673
Base-Backbone interact. energy: 2.853
local terms energy: -557.552814
where:
bonds (distance) C4'-P energy: -92.727
bonds (distance) P-C4' energy: -106.113
flat angles C4'-P-C4' energy: -125.136
flat angles P-C4'-P energy: -78.957
tors. eta vs tors. theta energy: -154.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1519.724513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.724513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.724513 (E_RNA)
where:
Base-Base interactions energy: -1008.166
where: short stacking energy: -430.345
Base-Backbone interact. energy: -2.318
local terms energy: -509.240266
where:
bonds (distance) C4'-P energy: -108.184
bonds (distance) P-C4' energy: -115.882
flat angles C4'-P-C4' energy: -97.609
flat angles P-C4'-P energy: -76.903
tors. eta vs tors. theta energy: -110.663
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: 3
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1192.130682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.130682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.130682 (E_RNA)
where:
Base-Base interactions energy: -767.733
where: short stacking energy: -386.928
Base-Backbone interact. energy: -0.601
local terms energy: -423.797261
where:
bonds (distance) C4'-P energy: -96.060
bonds (distance) P-C4' energy: -87.428
flat angles C4'-P-C4' energy: -92.829
flat angles P-C4'-P energy: -64.862
tors. eta vs tors. theta energy: -82.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1052.407877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.407877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.407877 (E_RNA)
where:
Base-Base interactions energy: -637.736
where: short stacking energy: -281.865
Base-Backbone interact. energy: -0.665
local terms energy: -414.006545
where:
bonds (distance) C4'-P energy: -97.846
bonds (distance) P-C4' energy: -102.881
flat angles C4'-P-C4' energy: -93.806
flat angles P-C4'-P energy: -63.934
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: 9, replica: 10
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -955.701751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.701751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.701751 (E_RNA)
where:
Base-Base interactions energy: -575.743
where: short stacking energy: -280.345
Base-Backbone interact. energy: 2.660
local terms energy: -382.618897
where:
bonds (distance) C4'-P energy: -94.827
bonds (distance) P-C4' energy: -92.876
flat angles C4'-P-C4' energy: -85.639
flat angles P-C4'-P energy: -54.012
tors. eta vs tors. theta energy: -55.266
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: 10, replica: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -571.188217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.188217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.188217 (E_RNA)
where:
Base-Base interactions energy: -258.699
where: short stacking energy: -142.988
Base-Backbone interact. energy: 0.978
local terms energy: -313.467323
where:
bonds (distance) C4'-P energy: -91.560
bonds (distance) P-C4' energy: -111.085
flat angles C4'-P-C4' energy: -88.882
flat angles P-C4'-P energy: -39.678
tors. eta vs tors. theta energy: 17.739
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: 1, replica: 9
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -2131.284702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2131.284702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2131.284702 (E_RNA)
where:
Base-Base interactions energy: -1508.066
where: short stacking energy: -603.287
Base-Backbone interact. energy: -0.664
local terms energy: -622.554627
where:
bonds (distance) C4'-P energy: -98.434
bonds (distance) P-C4' energy: -126.486
flat angles C4'-P-C4' energy: -133.172
flat angles P-C4'-P energy: -88.530
tors. eta vs tors. theta energy: -175.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -2041.151724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.151724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.151724 (E_RNA)
where:
Base-Base interactions energy: -1411.688
where: short stacking energy: -583.288
Base-Backbone interact. energy: -5.253
local terms energy: -624.210931
where:
bonds (distance) C4'-P energy: -114.479
bonds (distance) P-C4' energy: -108.083
flat angles C4'-P-C4' energy: -136.447
flat angles P-C4'-P energy: -96.075
tors. eta vs tors. theta energy: -169.127
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: 313
Temperature: 1.000000
Total energy: -1943.494518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.494518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.494518 (E_RNA)
where:
Base-Base interactions energy: -1358.855
where: short stacking energy: -563.827
Base-Backbone interact. energy: -0.426
local terms energy: -584.213564
where:
bonds (distance) C4'-P energy: -103.341
bonds (distance) P-C4' energy: -107.018
flat angles C4'-P-C4' energy: -129.013
flat angles P-C4'-P energy: -79.594
tors. eta vs tors. theta energy: -165.248
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: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1757.394862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.394862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.394862 (E_RNA)
where:
Base-Base interactions energy: -1217.729
where: short stacking energy: -500.674
Base-Backbone interact. energy: -3.572
local terms energy: -536.094176
where:
bonds (distance) C4'-P energy: -94.827
bonds (distance) P-C4' energy: -120.939
flat angles C4'-P-C4' energy: -123.028
flat angles P-C4'-P energy: -58.924
tors. eta vs tors. theta energy: -138.377
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: 6
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1736.575141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.575141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.575141 (E_RNA)
where:
Base-Base interactions energy: -1194.445
where: short stacking energy: -527.204
Base-Backbone interact. energy: -0.183
local terms energy: -541.947137
where:
bonds (distance) C4'-P energy: -89.374
bonds (distance) P-C4' energy: -103.259
flat angles C4'-P-C4' energy: -128.351
flat angles P-C4'-P energy: -77.848
tors. eta vs tors. theta energy: -143.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1519.904553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.904553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.904553 (E_RNA)
where:
Base-Base interactions energy: -1041.284
where: short stacking energy: -444.517
Base-Backbone interact. energy: -2.328
local terms energy: -476.292361
where:
bonds (distance) C4'-P energy: -95.365
bonds (distance) P-C4' energy: -99.435
flat angles C4'-P-C4' energy: -108.736
flat angles P-C4'-P energy: -72.358
tors. eta vs tors. theta energy: -100.398
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: 313
Temperature: 1.200000
Total energy: -1159.084866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.084866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.084866 (E_RNA)
where:
Base-Base interactions energy: -705.233
where: short stacking energy: -334.267
Base-Backbone interact. energy: -1.870
local terms energy: -451.981693
where:
bonds (distance) C4'-P energy: -92.259
bonds (distance) P-C4' energy: -113.275
flat angles C4'-P-C4' energy: -107.164
flat angles P-C4'-P energy: -62.021
tors. eta vs tors. theta energy: -77.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -984.254291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.254291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.254291 (E_RNA)
where:
Base-Base interactions energy: -579.118
where: short stacking energy: -281.747
Base-Backbone interact. energy: 2.233
local terms energy: -407.369953
where:
bonds (distance) C4'-P energy: -94.980
bonds (distance) P-C4' energy: -106.359
flat angles C4'-P-C4' energy: -111.555
flat angles P-C4'-P energy: -47.985
tors. eta vs tors. theta energy: -46.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -927.798948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.798948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.798948 (E_RNA)
where:
Base-Base interactions energy: -549.923
where: short stacking energy: -252.563
Base-Backbone interact. energy: -0.322
local terms energy: -377.554098
where:
bonds (distance) C4'-P energy: -96.505
bonds (distance) P-C4' energy: -94.163
flat angles C4'-P-C4' energy: -101.558
flat angles P-C4'-P energy: -42.837
tors. eta vs tors. theta energy: -42.491
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: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -541.948090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.948090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.948090 (E_RNA)
where:
Base-Base interactions energy: -229.550
where: short stacking energy: -123.856
Base-Backbone interact. energy: 2.691
local terms energy: -315.088978
where:
bonds (distance) C4'-P energy: -92.789
bonds (distance) P-C4' energy: -103.316
flat angles C4'-P-C4' energy: -99.477
flat angles P-C4'-P energy: -49.798
tors. eta vs tors. theta energy: 30.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -2165.149124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2165.149124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2165.149124 (E_RNA)
where:
Base-Base interactions energy: -1518.246
where: short stacking energy: -620.858
Base-Backbone interact. energy: -0.745
local terms energy: -646.158392
where:
bonds (distance) C4'-P energy: -127.741
bonds (distance) P-C4' energy: -119.487
flat angles C4'-P-C4' energy: -125.497
flat angles P-C4'-P energy: -98.416
tors. eta vs tors. theta energy: -175.018
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: 2, replica: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -2019.216633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.216633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.216633 (E_RNA)
where:
Base-Base interactions energy: -1409.075
where: short stacking energy: -581.857
Base-Backbone interact. energy: 2.019
local terms energy: -612.160218
where:
bonds (distance) C4'-P energy: -102.723
bonds (distance) P-C4' energy: -118.964
flat angles C4'-P-C4' energy: -140.340
flat angles P-C4'-P energy: -80.575
tors. eta vs tors. theta energy: -169.558
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: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1928.480231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.480231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.480231 (E_RNA)
where:
Base-Base interactions energy: -1356.550
where: short stacking energy: -552.087
Base-Backbone interact. energy: 1.115
local terms energy: -573.045407
where:
bonds (distance) C4'-P energy: -104.470
bonds (distance) P-C4' energy: -107.315
flat angles C4'-P-C4' energy: -128.711
flat angles P-C4'-P energy: -75.955
tors. eta vs tors. theta energy: -156.595
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: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1798.870688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.870688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.870688 (E_RNA)
where:
Base-Base interactions energy: -1238.167
where: short stacking energy: -538.730
Base-Backbone interact. energy: 0.308
local terms energy: -561.011166
where:
bonds (distance) C4'-P energy: -104.935
bonds (distance) P-C4' energy: -99.017
flat angles C4'-P-C4' energy: -124.969
flat angles P-C4'-P energy: -76.714
tors. eta vs tors. theta energy: -155.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1739.845031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.845031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.845031 (E_RNA)
where:
Base-Base interactions energy: -1190.594
where: short stacking energy: -510.648
Base-Backbone interact. energy: -0.677
local terms energy: -548.573725
where:
bonds (distance) C4'-P energy: -105.178
bonds (distance) P-C4' energy: -96.426
flat angles C4'-P-C4' energy: -127.971
flat angles P-C4'-P energy: -63.153
tors. eta vs tors. theta energy: -155.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1502.707411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.707411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.707411 (E_RNA)
where:
Base-Base interactions energy: -997.446
where: short stacking energy: -429.120
Base-Backbone interact. energy: -1.233
local terms energy: -504.028282
where:
bonds (distance) C4'-P energy: -102.449
bonds (distance) P-C4' energy: -108.102
flat angles C4'-P-C4' energy: -100.993
flat angles P-C4'-P energy: -82.851
tors. eta vs tors. theta energy: -109.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1169.170577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.170577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.170577 (E_RNA)
where:
Base-Base interactions energy: -713.177
where: short stacking energy: -320.881
Base-Backbone interact. energy: -0.662
local terms energy: -455.332061
where:
bonds (distance) C4'-P energy: -92.535
bonds (distance) P-C4' energy: -107.113
flat angles C4'-P-C4' energy: -102.254
flat angles P-C4'-P energy: -69.585
tors. eta vs tors. theta energy: -83.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -966.115449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.115449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.115449 (E_RNA)
where:
Base-Base interactions energy: -558.653
where: short stacking energy: -277.505
Base-Backbone interact. energy: -2.689
local terms energy: -404.772911
where:
bonds (distance) C4'-P energy: -104.669
bonds (distance) P-C4' energy: -91.783
flat angles C4'-P-C4' energy: -99.020
flat angles P-C4'-P energy: -52.828
tors. eta vs tors. theta energy: -56.472
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: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -878.949100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.949100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.949100 (E_RNA)
where:
Base-Base interactions energy: -517.159
where: short stacking energy: -269.597
Base-Backbone interact. energy: 2.576
local terms energy: -364.366121
where:
bonds (distance) C4'-P energy: -85.308
bonds (distance) P-C4' energy: -93.994
flat angles C4'-P-C4' energy: -76.168
flat angles P-C4'-P energy: -62.317
tors. eta vs tors. theta energy: -46.578
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: 2
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -518.707698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.707698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.707698 (E_RNA)
where:
Base-Base interactions energy: -256.192
where: short stacking energy: -167.825
Base-Backbone interact. energy: 2.759
local terms energy: -265.274883
where:
bonds (distance) C4'-P energy: -88.427
bonds (distance) P-C4' energy: -91.400
flat angles C4'-P-C4' energy: -69.539
flat angles P-C4'-P energy: -23.504
tors. eta vs tors. theta energy: 7.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -2116.083282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.083282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.083282 (E_RNA)
where:
Base-Base interactions energy: -1469.403
where: short stacking energy: -608.598
Base-Backbone interact. energy: -3.741
local terms energy: -642.939417
where:
bonds (distance) C4'-P energy: -120.859
bonds (distance) P-C4' energy: -127.281
flat angles C4'-P-C4' energy: -132.577
flat angles P-C4'-P energy: -81.086
tors. eta vs tors. theta energy: -181.136
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: 8
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -2017.019923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.019923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.019923 (E_RNA)
where:
Base-Base interactions energy: -1403.024
where: short stacking energy: -567.792
Base-Backbone interact. energy: -3.849
local terms energy: -610.147304
where:
bonds (distance) C4'-P energy: -109.819
bonds (distance) P-C4' energy: -112.437
flat angles C4'-P-C4' energy: -128.382
flat angles P-C4'-P energy: -94.347
tors. eta vs tors. theta energy: -165.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1929.798191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.798191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.798191 (E_RNA)
where:
Base-Base interactions energy: -1332.747
where: short stacking energy: -547.592
Base-Backbone interact. energy: -2.386
local terms energy: -594.664988
where:
bonds (distance) C4'-P energy: -115.098
bonds (distance) P-C4' energy: -110.114
flat angles C4'-P-C4' energy: -125.868
flat angles P-C4'-P energy: -88.110
tors. eta vs tors. theta energy: -155.475
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: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1799.289226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.289226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.289226 (E_RNA)
where:
Base-Base interactions energy: -1221.481
where: short stacking energy: -519.907
Base-Backbone interact. energy: 1.986
local terms energy: -579.794404
where:
bonds (distance) C4'-P energy: -98.378
bonds (distance) P-C4' energy: -109.913
flat angles C4'-P-C4' energy: -136.393
flat angles P-C4'-P energy: -90.198
tors. eta vs tors. theta energy: -144.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1709.580642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.580642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.580642 (E_RNA)
where:
Base-Base interactions energy: -1169.130
where: short stacking energy: -510.264
Base-Backbone interact. energy: -1.985
local terms energy: -538.465267
where:
bonds (distance) C4'-P energy: -100.239
bonds (distance) P-C4' energy: -98.392
flat angles C4'-P-C4' energy: -115.009
flat angles P-C4'-P energy: -84.213
tors. eta vs tors. theta energy: -140.611
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: 315
Temperature: 1.150000
Total energy: -1460.994887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.994887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.994887 (E_RNA)
where:
Base-Base interactions energy: -967.368
where: short stacking energy: -401.682
Base-Backbone interact. energy: -5.036
local terms energy: -488.590742
where:
bonds (distance) C4'-P energy: -100.149
bonds (distance) P-C4' energy: -94.574
flat angles C4'-P-C4' energy: -117.051
flat angles P-C4'-P energy: -72.555
tors. eta vs tors. theta energy: -104.262
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: 3
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1186.111837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.111837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.111837 (E_RNA)
where:
Base-Base interactions energy: -749.030
where: short stacking energy: -350.623
Base-Backbone interact. energy: 5.408
local terms energy: -442.489726
where:
bonds (distance) C4'-P energy: -92.908
bonds (distance) P-C4' energy: -103.580
flat angles C4'-P-C4' energy: -107.764
flat angles P-C4'-P energy: -52.539
tors. eta vs tors. theta energy: -85.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -990.358354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.358354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.358354 (E_RNA)
where:
Base-Base interactions energy: -583.106
where: short stacking energy: -287.963
Base-Backbone interact. energy: 4.355
local terms energy: -411.608187
where:
bonds (distance) C4'-P energy: -102.018
bonds (distance) P-C4' energy: -100.952
flat angles C4'-P-C4' energy: -107.748
flat angles P-C4'-P energy: -56.840
tors. eta vs tors. theta energy: -44.050
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: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -850.963849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.963849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.963849 (E_RNA)
where:
Base-Base interactions energy: -468.325
where: short stacking energy: -222.866
Base-Backbone interact. energy: 4.984
local terms energy: -387.623299
where:
bonds (distance) C4'-P energy: -107.492
bonds (distance) P-C4' energy: -114.866
flat angles C4'-P-C4' energy: -93.363
flat angles P-C4'-P energy: -43.945
tors. eta vs tors. theta energy: -27.956
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: 2
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -573.957131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.957131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.957131 (E_RNA)
where:
Base-Base interactions energy: -304.582
where: short stacking energy: -180.039
Base-Backbone interact. energy: -1.025
local terms energy: -268.350474
where:
bonds (distance) C4'-P energy: -80.326
bonds (distance) P-C4' energy: -69.242
flat angles C4'-P-C4' energy: -78.684
flat angles P-C4'-P energy: -57.215
tors. eta vs tors. theta energy: 17.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -2110.143346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.143346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.143346 (E_RNA)
where:
Base-Base interactions energy: -1471.387
where: short stacking energy: -600.977
Base-Backbone interact. energy: -3.297
local terms energy: -635.459796
where:
bonds (distance) C4'-P energy: -120.198
bonds (distance) P-C4' energy: -119.474
flat angles C4'-P-C4' energy: -127.727
flat angles P-C4'-P energy: -93.866
tors. eta vs tors. theta energy: -174.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1997.751761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.751761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.751761 (E_RNA)
where:
Base-Base interactions energy: -1397.288
where: short stacking energy: -563.957
Base-Backbone interact. energy: -2.855
local terms energy: -597.609283
where:
bonds (distance) C4'-P energy: -104.963
bonds (distance) P-C4' energy: -112.499
flat angles C4'-P-C4' energy: -124.834
flat angles P-C4'-P energy: -91.796
tors. eta vs tors. theta energy: -163.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1906.794717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.794717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.794717 (E_RNA)
where:
Base-Base interactions energy: -1304.892
where: short stacking energy: -555.318
Base-Backbone interact. energy: -0.059
local terms energy: -601.843533
where:
bonds (distance) C4'-P energy: -117.536
bonds (distance) P-C4' energy: -90.973
flat angles C4'-P-C4' energy: -135.772
flat angles P-C4'-P energy: -86.266
tors. eta vs tors. theta energy: -171.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1751.541398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.541398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.541398 (E_RNA)
where:
Base-Base interactions energy: -1194.888
where: short stacking energy: -513.112
Base-Backbone interact. energy: -1.910
local terms energy: -554.743786
where:
bonds (distance) C4'-P energy: -107.784
bonds (distance) P-C4' energy: -98.895
flat angles C4'-P-C4' energy: -122.518
flat angles P-C4'-P energy: -84.532
tors. eta vs tors. theta energy: -141.016
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: 6
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1770.477883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.477883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.477883 (E_RNA)
where:
Base-Base interactions energy: -1220.197
where: short stacking energy: -526.521
Base-Backbone interact. energy: 4.073
local terms energy: -554.353424
where:
bonds (distance) C4'-P energy: -97.453
bonds (distance) P-C4' energy: -100.884
flat angles C4'-P-C4' energy: -124.223
flat angles P-C4'-P energy: -70.010
tors. eta vs tors. theta energy: -161.783
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: 316
Temperature: 1.150000
Total energy: -1426.163297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.163297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.163297 (E_RNA)
where:
Base-Base interactions energy: -931.691
where: short stacking energy: -397.807
Base-Backbone interact. energy: -0.963
local terms energy: -493.509503
where:
bonds (distance) C4'-P energy: -100.738
bonds (distance) P-C4' energy: -111.745
flat angles C4'-P-C4' energy: -110.516
flat angles P-C4'-P energy: -65.126
tors. eta vs tors. theta energy: -105.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1209.843666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.843666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.843666 (E_RNA)
where:
Base-Base interactions energy: -757.809
where: short stacking energy: -366.599
Base-Backbone interact. energy: -0.390
local terms energy: -451.644444
where:
bonds (distance) C4'-P energy: -90.491
bonds (distance) P-C4' energy: -107.121
flat angles C4'-P-C4' energy: -100.990
flat angles P-C4'-P energy: -66.461
tors. eta vs tors. theta energy: -86.581
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: 316
Temperature: 1.250000
Total energy: -974.031292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.031292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.031292 (E_RNA)
where:
Base-Base interactions energy: -577.528
where: short stacking energy: -292.953
Base-Backbone interact. energy: -2.696
local terms energy: -393.807272
where:
bonds (distance) C4'-P energy: -91.329
bonds (distance) P-C4' energy: -101.129
flat angles C4'-P-C4' energy: -102.472
flat angles P-C4'-P energy: -57.727
tors. eta vs tors. theta energy: -41.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -881.103116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.103116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.103116 (E_RNA)
where:
Base-Base interactions energy: -524.382
where: short stacking energy: -239.401
Base-Backbone interact. energy: 12.144
local terms energy: -368.865675
where:
bonds (distance) C4'-P energy: -100.676
bonds (distance) P-C4' energy: -95.232
flat angles C4'-P-C4' energy: -101.191
flat angles P-C4'-P energy: -43.986
tors. eta vs tors. theta energy: -27.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -577.553554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.553554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.553554 (E_RNA)
where:
Base-Base interactions energy: -274.067
where: short stacking energy: -169.741
Base-Backbone interact. energy: 1.664
local terms energy: -305.151119
where:
bonds (distance) C4'-P energy: -96.216
bonds (distance) P-C4' energy: -108.352
flat angles C4'-P-C4' energy: -67.442
flat angles P-C4'-P energy: -48.236
tors. eta vs tors. theta energy: 15.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -2085.522377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.522377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.522377 (E_RNA)
where:
Base-Base interactions energy: -1461.138
where: short stacking energy: -598.458
Base-Backbone interact. energy: -0.870
local terms energy: -623.513787
where:
bonds (distance) C4'-P energy: -109.209
bonds (distance) P-C4' energy: -117.999
flat angles C4'-P-C4' energy: -124.331
flat angles P-C4'-P energy: -100.652
tors. eta vs tors. theta energy: -171.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -2002.078291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.078291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.078291 (E_RNA)
where:
Base-Base interactions energy: -1400.156
where: short stacking energy: -554.749
Base-Backbone interact. energy: -2.064
local terms energy: -599.858013
where:
bonds (distance) C4'-P energy: -99.845
bonds (distance) P-C4' energy: -118.927
flat angles C4'-P-C4' energy: -123.602
flat angles P-C4'-P energy: -83.225
tors. eta vs tors. theta energy: -174.258
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: 317
Temperature: 1.000000
Total energy: -1908.553987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.553987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.553987 (E_RNA)
where:
Base-Base interactions energy: -1298.545
where: short stacking energy: -552.166
Base-Backbone interact. energy: 0.522
local terms energy: -610.531497
where:
bonds (distance) C4'-P energy: -100.963
bonds (distance) P-C4' energy: -120.872
flat angles C4'-P-C4' energy: -133.728
flat angles P-C4'-P energy: -87.860
tors. eta vs tors. theta energy: -167.108
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: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1798.488885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.488885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.488885 (E_RNA)
where:
Base-Base interactions energy: -1204.002
where: short stacking energy: -534.283
Base-Backbone interact. energy: -1.684
local terms energy: -592.803034
where:
bonds (distance) C4'-P energy: -107.594
bonds (distance) P-C4' energy: -110.855
flat angles C4'-P-C4' energy: -128.189
flat angles P-C4'-P energy: -87.792
tors. eta vs tors. theta energy: -158.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1682.577509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.577509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.577509 (E_RNA)
where:
Base-Base interactions energy: -1156.969
where: short stacking energy: -489.226
Base-Backbone interact. energy: -2.945
local terms energy: -522.662885
where:
bonds (distance) C4'-P energy: -113.134
bonds (distance) P-C4' energy: -109.283
flat angles C4'-P-C4' energy: -107.351
flat angles P-C4'-P energy: -67.404
tors. eta vs tors. theta energy: -125.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1402.015259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.015259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.015259 (E_RNA)
where:
Base-Base interactions energy: -935.280
where: short stacking energy: -405.971
Base-Backbone interact. energy: -4.073
local terms energy: -462.662966
where:
bonds (distance) C4'-P energy: -97.608
bonds (distance) P-C4' energy: -101.766
flat angles C4'-P-C4' energy: -105.420
flat angles P-C4'-P energy: -68.404
tors. eta vs tors. theta energy: -89.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1205.443827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.443827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.443827 (E_RNA)
where:
Base-Base interactions energy: -791.087
where: short stacking energy: -367.703
Base-Backbone interact. energy: 0.005
local terms energy: -414.362068
where:
bonds (distance) C4'-P energy: -105.153
bonds (distance) P-C4' energy: -85.373
flat angles C4'-P-C4' energy: -86.768
flat angles P-C4'-P energy: -67.154
tors. eta vs tors. theta energy: -69.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -939.294734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.294734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.294734 (E_RNA)
where:
Base-Base interactions energy: -527.675
where: short stacking energy: -264.860
Base-Backbone interact. energy: -1.251
local terms energy: -410.368457
where:
bonds (distance) C4'-P energy: -98.561
bonds (distance) P-C4' energy: -100.463
flat angles C4'-P-C4' energy: -112.198
flat angles P-C4'-P energy: -59.899
tors. eta vs tors. theta energy: -39.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -909.078432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.078432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.078432 (E_RNA)
where:
Base-Base interactions energy: -544.677
where: short stacking energy: -257.415
Base-Backbone interact. energy: 1.098
local terms energy: -365.500121
where:
bonds (distance) C4'-P energy: -87.069
bonds (distance) P-C4' energy: -108.347
flat angles C4'-P-C4' energy: -88.635
flat angles P-C4'-P energy: -53.937
tors. eta vs tors. theta energy: -27.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -594.149874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.149874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.149874 (E_RNA)
where:
Base-Base interactions energy: -259.151
where: short stacking energy: -164.706
Base-Backbone interact. energy: -0.115
local terms energy: -334.883547
where:
bonds (distance) C4'-P energy: -94.728
bonds (distance) P-C4' energy: -102.320
flat angles C4'-P-C4' energy: -85.723
flat angles P-C4'-P energy: -55.892
tors. eta vs tors. theta energy: 3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -2069.886643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2069.886643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2069.886643 (E_RNA)
where:
Base-Base interactions energy: -1450.014
where: short stacking energy: -604.425
Base-Backbone interact. energy: -3.854
local terms energy: -616.018930
where:
bonds (distance) C4'-P energy: -110.581
bonds (distance) P-C4' energy: -113.047
flat angles C4'-P-C4' energy: -133.473
flat angles P-C4'-P energy: -87.577
tors. eta vs tors. theta energy: -171.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -2003.646816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.646816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.646816 (E_RNA)
where:
Base-Base interactions energy: -1384.601
where: short stacking energy: -581.172
Base-Backbone interact. energy: -3.398
local terms energy: -615.647767
where:
bonds (distance) C4'-P energy: -109.806
bonds (distance) P-C4' energy: -113.590
flat angles C4'-P-C4' energy: -131.841
flat angles P-C4'-P energy: -85.255
tors. eta vs tors. theta energy: -175.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1920.294148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.294148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.294148 (E_RNA)
where:
Base-Base interactions energy: -1303.902
where: short stacking energy: -565.776
Base-Backbone interact. energy: -0.566
local terms energy: -615.825615
where:
bonds (distance) C4'-P energy: -97.440
bonds (distance) P-C4' energy: -116.934
flat angles C4'-P-C4' energy: -132.691
flat angles P-C4'-P energy: -94.423
tors. eta vs tors. theta energy: -174.338
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: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1776.349715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.349715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.349715 (E_RNA)
where:
Base-Base interactions energy: -1166.010
where: short stacking energy: -520.774
Base-Backbone interact. energy: -2.764
local terms energy: -607.575886
where:
bonds (distance) C4'-P energy: -117.871
bonds (distance) P-C4' energy: -116.111
flat angles C4'-P-C4' energy: -131.320
flat angles P-C4'-P energy: -72.689
tors. eta vs tors. theta energy: -169.585
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: 5
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1694.120733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.120733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.120733 (E_RNA)
where:
Base-Base interactions energy: -1160.548
where: short stacking energy: -465.983
Base-Backbone interact. energy: 0.881
local terms energy: -534.453654
where:
bonds (distance) C4'-P energy: -113.596
bonds (distance) P-C4' energy: -102.020
flat angles C4'-P-C4' energy: -113.772
flat angles P-C4'-P energy: -82.085
tors. eta vs tors. theta energy: -122.981
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: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1432.593901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.593901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.593901 (E_RNA)
where:
Base-Base interactions energy: -976.280
where: short stacking energy: -424.943
Base-Backbone interact. energy: -0.734
local terms energy: -455.580114
where:
bonds (distance) C4'-P energy: -57.893
bonds (distance) P-C4' energy: -109.631
flat angles C4'-P-C4' energy: -111.295
flat angles P-C4'-P energy: -72.101
tors. eta vs tors. theta energy: -104.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1218.401915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.401915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.401915 (E_RNA)
where:
Base-Base interactions energy: -778.395
where: short stacking energy: -372.511
Base-Backbone interact. energy: 0.953
local terms energy: -440.960481
where:
bonds (distance) C4'-P energy: -104.732
bonds (distance) P-C4' energy: -109.265
flat angles C4'-P-C4' energy: -102.354
flat angles P-C4'-P energy: -53.290
tors. eta vs tors. theta energy: -71.320
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: 10
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1040.055960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.055960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.055960 (E_RNA)
where:
Base-Base interactions energy: -618.687
where: short stacking energy: -290.636
Base-Backbone interact. energy: -1.656
local terms energy: -419.712389
where:
bonds (distance) C4'-P energy: -86.141
bonds (distance) P-C4' energy: -107.313
flat angles C4'-P-C4' energy: -108.039
flat angles P-C4'-P energy: -52.580
tors. eta vs tors. theta energy: -65.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -869.004066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.004066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.004066 (E_RNA)
where:
Base-Base interactions energy: -521.747
where: short stacking energy: -245.845
Base-Backbone interact. energy: 1.196
local terms energy: -348.453547
where:
bonds (distance) C4'-P energy: -81.150
bonds (distance) P-C4' energy: -105.639
flat angles C4'-P-C4' energy: -91.249
flat angles P-C4'-P energy: -45.179
tors. eta vs tors. theta energy: -25.237
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: 2
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -537.527949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.527949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.527949 (E_RNA)
where:
Base-Base interactions energy: -231.398
where: short stacking energy: -157.763
Base-Backbone interact. energy: 0.988
local terms energy: -307.117695
where:
bonds (distance) C4'-P energy: -84.022
bonds (distance) P-C4' energy: -90.229
flat angles C4'-P-C4' energy: -88.832
flat angles P-C4'-P energy: -52.393
tors. eta vs tors. theta energy: 8.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -2077.575767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2077.575767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2077.575767 (E_RNA)
where:
Base-Base interactions energy: -1455.528
where: short stacking energy: -599.845
Base-Backbone interact. energy: 0.163
local terms energy: -622.210388
where:
bonds (distance) C4'-P energy: -121.845
bonds (distance) P-C4' energy: -115.922
flat angles C4'-P-C4' energy: -129.601
flat angles P-C4'-P energy: -83.555
tors. eta vs tors. theta energy: -171.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -2006.872330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.872330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.872330 (E_RNA)
where:
Base-Base interactions energy: -1396.989
where: short stacking energy: -574.308
Base-Backbone interact. energy: -3.883
local terms energy: -605.999968
where:
bonds (distance) C4'-P energy: -103.537
bonds (distance) P-C4' energy: -113.104
flat angles C4'-P-C4' energy: -129.027
flat angles P-C4'-P energy: -91.570
tors. eta vs tors. theta energy: -168.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1916.187619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.187619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.187619 (E_RNA)
where:
Base-Base interactions energy: -1333.744
where: short stacking energy: -556.209
Base-Backbone interact. energy: -0.018
local terms energy: -582.426297
where:
bonds (distance) C4'-P energy: -106.401
bonds (distance) P-C4' energy: -104.060
flat angles C4'-P-C4' energy: -129.079
flat angles P-C4'-P energy: -76.399
tors. eta vs tors. theta energy: -166.487
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: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1792.670291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.670291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.670291 (E_RNA)
where:
Base-Base interactions energy: -1227.590
where: short stacking energy: -527.970
Base-Backbone interact. energy: -2.848
local terms energy: -562.232124
where:
bonds (distance) C4'-P energy: -114.789
bonds (distance) P-C4' energy: -107.380
flat angles C4'-P-C4' energy: -94.261
flat angles P-C4'-P energy: -79.669
tors. eta vs tors. theta energy: -166.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1708.082889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.082889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.082889 (E_RNA)
where:
Base-Base interactions energy: -1144.723
where: short stacking energy: -500.049
Base-Backbone interact. energy: -4.409
local terms energy: -558.951006
where:
bonds (distance) C4'-P energy: -105.332
bonds (distance) P-C4' energy: -110.481
flat angles C4'-P-C4' energy: -112.660
flat angles P-C4'-P energy: -73.582
tors. eta vs tors. theta energy: -156.895
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: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1446.722403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.722403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.722403 (E_RNA)
where:
Base-Base interactions energy: -948.105
where: short stacking energy: -390.367
Base-Backbone interact. energy: -2.881
local terms energy: -495.737020
where:
bonds (distance) C4'-P energy: -90.128
bonds (distance) P-C4' energy: -111.287
flat angles C4'-P-C4' energy: -115.344
flat angles P-C4'-P energy: -80.596
tors. eta vs tors. theta energy: -98.381
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: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1284.864527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.864527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.864527 (E_RNA)
where:
Base-Base interactions energy: -822.934
where: short stacking energy: -372.221
Base-Backbone interact. energy: -0.185
local terms energy: -461.746104
where:
bonds (distance) C4'-P energy: -106.482
bonds (distance) P-C4' energy: -99.227
flat angles C4'-P-C4' energy: -97.671
flat angles P-C4'-P energy: -74.531
tors. eta vs tors. theta energy: -83.834
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: 8, replica: 10
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1020.692804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.692804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.692804 (E_RNA)
where:
Base-Base interactions energy: -612.801
where: short stacking energy: -297.641
Base-Backbone interact. energy: -1.093
local terms energy: -406.798368
where:
bonds (distance) C4'-P energy: -96.865
bonds (distance) P-C4' energy: -100.186
flat angles C4'-P-C4' energy: -92.843
flat angles P-C4'-P energy: -64.736
tors. eta vs tors. theta energy: -52.168
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: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -861.265523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.265523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.265523 (E_RNA)
where:
Base-Base interactions energy: -487.853
where: short stacking energy: -231.256
Base-Backbone interact. energy: -2.851
local terms energy: -370.561999
where:
bonds (distance) C4'-P energy: -93.906
bonds (distance) P-C4' energy: -98.553
flat angles C4'-P-C4' energy: -100.873
flat angles P-C4'-P energy: -47.971
tors. eta vs tors. theta energy: -29.259
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: 2
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -558.855012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.855012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.855012 (E_RNA)
where:
Base-Base interactions energy: -273.169
where: short stacking energy: -166.638
Base-Backbone interact. energy: 2.891
local terms energy: -288.577043
where:
bonds (distance) C4'-P energy: -79.571
bonds (distance) P-C4' energy: -99.916
flat angles C4'-P-C4' energy: -82.456
flat angles P-C4'-P energy: -33.110
tors. eta vs tors. theta energy: 6.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -2106.067981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.067981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.067981 (E_RNA)
where:
Base-Base interactions energy: -1475.129
where: short stacking energy: -601.382
Base-Backbone interact. energy: -3.800
local terms energy: -627.139324
where:
bonds (distance) C4'-P energy: -120.056
bonds (distance) P-C4' energy: -116.455
flat angles C4'-P-C4' energy: -132.129
flat angles P-C4'-P energy: -85.625
tors. eta vs tors. theta energy: -172.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -2011.274833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.274833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.274833 (E_RNA)
where:
Base-Base interactions energy: -1387.765
where: short stacking energy: -572.318
Base-Backbone interact. energy: -0.096
local terms energy: -623.413766
where:
bonds (distance) C4'-P energy: -103.836
bonds (distance) P-C4' energy: -111.309
flat angles C4'-P-C4' energy: -141.791
flat angles P-C4'-P energy: -91.582
tors. eta vs tors. theta energy: -174.896
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: 7
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1934.258346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.258346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.258346 (E_RNA)
where:
Base-Base interactions energy: -1342.212
where: short stacking energy: -566.541
Base-Backbone interact. energy: 1.391
local terms energy: -593.436949
where:
bonds (distance) C4'-P energy: -93.137
bonds (distance) P-C4' energy: -117.616
flat angles C4'-P-C4' energy: -134.946
flat angles P-C4'-P energy: -90.729
tors. eta vs tors. theta energy: -157.009
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: 4, replica: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1801.095194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.095194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.095194 (E_RNA)
where:
Base-Base interactions energy: -1228.978
where: short stacking energy: -534.058
Base-Backbone interact. energy: -3.362
local terms energy: -568.754825
where:
bonds (distance) C4'-P energy: -102.081
bonds (distance) P-C4' energy: -104.965
flat angles C4'-P-C4' energy: -122.645
flat angles P-C4'-P energy: -76.145
tors. eta vs tors. theta energy: -162.919
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: 6
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1727.316691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.316691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.316691 (E_RNA)
where:
Base-Base interactions energy: -1169.027
where: short stacking energy: -515.899
Base-Backbone interact. energy: -1.808
local terms energy: -556.481557
where:
bonds (distance) C4'-P energy: -98.882
bonds (distance) P-C4' energy: -111.460
flat angles C4'-P-C4' energy: -121.822
flat angles P-C4'-P energy: -78.702
tors. eta vs tors. theta energy: -145.616
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: 1
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1464.561622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.561622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.561622 (E_RNA)
where:
Base-Base interactions energy: -978.590
where: short stacking energy: -418.974
Base-Backbone interact. energy: -1.311
local terms energy: -484.659871
where:
bonds (distance) C4'-P energy: -105.470
bonds (distance) P-C4' energy: -94.888
flat angles C4'-P-C4' energy: -112.690
flat angles P-C4'-P energy: -68.638
tors. eta vs tors. theta energy: -102.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1248.083515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.083515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.083515 (E_RNA)
where:
Base-Base interactions energy: -801.226
where: short stacking energy: -366.069
Base-Backbone interact. energy: 0.967
local terms energy: -447.824893
where:
bonds (distance) C4'-P energy: -93.164
bonds (distance) P-C4' energy: -83.817
flat angles C4'-P-C4' energy: -108.013
flat angles P-C4'-P energy: -75.043
tors. eta vs tors. theta energy: -87.789
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: 10
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1039.587921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.587921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.587921 (E_RNA)
where:
Base-Base interactions energy: -626.815
where: short stacking energy: -304.251
Base-Backbone interact. energy: 2.150
local terms energy: -414.922825
where:
bonds (distance) C4'-P energy: -94.503
bonds (distance) P-C4' energy: -107.131
flat angles C4'-P-C4' energy: -97.659
flat angles P-C4'-P energy: -56.155
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: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -878.741649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.741649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.741649 (E_RNA)
where:
Base-Base interactions energy: -532.509
where: short stacking energy: -243.946
Base-Backbone interact. energy: -2.107
local terms energy: -344.125391
where:
bonds (distance) C4'-P energy: -83.585
bonds (distance) P-C4' energy: -90.539
flat angles C4'-P-C4' energy: -86.962
flat angles P-C4'-P energy: -50.641
tors. eta vs tors. theta energy: -32.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -523.586196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.586196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.586196 (E_RNA)
where:
Base-Base interactions energy: -234.992
where: short stacking energy: -128.401
Base-Backbone interact. energy: -1.083
local terms energy: -287.511321
where:
bonds (distance) C4'-P energy: -96.726
bonds (distance) P-C4' energy: -86.463
flat angles C4'-P-C4' energy: -67.988
flat angles P-C4'-P energy: -49.215
tors. eta vs tors. theta energy: 12.881
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: 1, replica: 9
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -2113.061446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.061446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.061446 (E_RNA)
where:
Base-Base interactions energy: -1490.659
where: short stacking energy: -633.605
Base-Backbone interact. energy: -2.430
local terms energy: -619.972302
where:
bonds (distance) C4'-P energy: -119.222
bonds (distance) P-C4' energy: -102.258
flat angles C4'-P-C4' energy: -135.544
flat angles P-C4'-P energy: -86.789
tors. eta vs tors. theta energy: -176.160
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: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -2029.457991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.457991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.457991 (E_RNA)
where:
Base-Base interactions energy: -1422.497
where: short stacking energy: -573.944
Base-Backbone interact. energy: 1.363
local terms energy: -608.323601
where:
bonds (distance) C4'-P energy: -108.485
bonds (distance) P-C4' energy: -118.132
flat angles C4'-P-C4' energy: -122.735
flat angles P-C4'-P energy: -87.195
tors. eta vs tors. theta energy: -171.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1920.244532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.244532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.244532 (E_RNA)
where:
Base-Base interactions energy: -1342.425
where: short stacking energy: -549.855
Base-Backbone interact. energy: -3.402
local terms energy: -574.417304
where:
bonds (distance) C4'-P energy: -103.559
bonds (distance) P-C4' energy: -117.019
flat angles C4'-P-C4' energy: -122.358
flat angles P-C4'-P energy: -75.142
tors. eta vs tors. theta energy: -156.340
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: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1801.605286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.605286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.605286 (E_RNA)
where:
Base-Base interactions energy: -1223.296
where: short stacking energy: -512.701
Base-Backbone interact. energy: -2.499
local terms energy: -575.810402
where:
bonds (distance) C4'-P energy: -96.494
bonds (distance) P-C4' energy: -112.731
flat angles C4'-P-C4' energy: -119.679
flat angles P-C4'-P energy: -88.648
tors. eta vs tors. theta energy: -158.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1678.772347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.772347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.772347 (E_RNA)
where:
Base-Base interactions energy: -1129.252
where: short stacking energy: -485.108
Base-Backbone interact. energy: -1.213
local terms energy: -548.307924
where:
bonds (distance) C4'-P energy: -109.008
bonds (distance) P-C4' energy: -121.197
flat angles C4'-P-C4' energy: -123.189
flat angles P-C4'-P energy: -56.315
tors. eta vs tors. theta energy: -138.600
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: 6, replica: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1455.534244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.534244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.534244 (E_RNA)
where:
Base-Base interactions energy: -985.496
where: short stacking energy: -404.916
Base-Backbone interact. energy: -4.303
local terms energy: -465.734956
where:
bonds (distance) C4'-P energy: -109.664
bonds (distance) P-C4' energy: -86.608
flat angles C4'-P-C4' energy: -106.860
flat angles P-C4'-P energy: -58.043
tors. eta vs tors. theta energy: -104.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1210.196333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.196333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.196333 (E_RNA)
where:
Base-Base interactions energy: -745.060
where: short stacking energy: -346.521
Base-Backbone interact. energy: -2.949
local terms energy: -462.186606
where:
bonds (distance) C4'-P energy: -92.703
bonds (distance) P-C4' energy: -118.535
flat angles C4'-P-C4' energy: -109.130
flat angles P-C4'-P energy: -55.052
tors. eta vs tors. theta energy: -86.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1044.476538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.476538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.476538 (E_RNA)
where:
Base-Base interactions energy: -643.062
where: short stacking energy: -316.697
Base-Backbone interact. energy: 3.375
local terms energy: -404.789655
where:
bonds (distance) C4'-P energy: -97.337
bonds (distance) P-C4' energy: -106.990
flat angles C4'-P-C4' energy: -90.386
flat angles P-C4'-P energy: -53.038
tors. eta vs tors. theta energy: -57.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -827.283984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.283984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.283984 (E_RNA)
where:
Base-Base interactions energy: -476.169
where: short stacking energy: -222.858
Base-Backbone interact. energy: 2.072
local terms energy: -353.186829
where:
bonds (distance) C4'-P energy: -93.678
bonds (distance) P-C4' energy: -88.070
flat angles C4'-P-C4' energy: -83.568
flat angles P-C4'-P energy: -69.537
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -498.964416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.964416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.964416 (E_RNA)
where:
Base-Base interactions energy: -196.920
where: short stacking energy: -127.776
Base-Backbone interact. energy: 0.149
local terms energy: -302.193187
where:
bonds (distance) C4'-P energy: -89.158
bonds (distance) P-C4' energy: -106.699
flat angles C4'-P-C4' energy: -72.175
flat angles P-C4'-P energy: -44.901
tors. eta vs tors. theta energy: 10.739
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: 1, replica: 9
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -2094.254688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.254688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.254688 (E_RNA)
where:
Base-Base interactions energy: -1448.937
where: short stacking energy: -628.400
Base-Backbone interact. energy: -3.003
local terms energy: -642.314301
where:
bonds (distance) C4'-P energy: -114.334
bonds (distance) P-C4' energy: -125.504
flat angles C4'-P-C4' energy: -136.260
flat angles P-C4'-P energy: -89.754
tors. eta vs tors. theta energy: -176.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1994.047201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.047201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.047201 (E_RNA)
where:
Base-Base interactions energy: -1393.525
where: short stacking energy: -570.632
Base-Backbone interact. energy: -1.778
local terms energy: -598.743861
where:
bonds (distance) C4'-P energy: -113.087
bonds (distance) P-C4' energy: -103.028
flat angles C4'-P-C4' energy: -134.407
flat angles P-C4'-P energy: -83.931
tors. eta vs tors. theta energy: -164.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1935.172421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.172421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.172421 (E_RNA)
where:
Base-Base interactions energy: -1346.616
where: short stacking energy: -557.303
Base-Backbone interact. energy: -1.921
local terms energy: -586.635425
where:
bonds (distance) C4'-P energy: -100.456
bonds (distance) P-C4' energy: -121.013
flat angles C4'-P-C4' energy: -129.176
flat angles P-C4'-P energy: -73.460
tors. eta vs tors. theta energy: -162.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1850.132911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.132911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.132911 (E_RNA)
where:
Base-Base interactions energy: -1273.022
where: short stacking energy: -526.254
Base-Backbone interact. energy: -0.475
local terms energy: -576.635849
where:
bonds (distance) C4'-P energy: -98.861
bonds (distance) P-C4' energy: -107.516
flat angles C4'-P-C4' energy: -126.634
flat angles P-C4'-P energy: -83.152
tors. eta vs tors. theta energy: -160.473
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: 6
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1712.149327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.149327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.149327 (E_RNA)
where:
Base-Base interactions energy: -1162.282
where: short stacking energy: -508.210
Base-Backbone interact. energy: -1.244
local terms energy: -548.622564
where:
bonds (distance) C4'-P energy: -95.570
bonds (distance) P-C4' energy: -105.565
flat angles C4'-P-C4' energy: -121.873
flat angles P-C4'-P energy: -65.061
tors. eta vs tors. theta energy: -160.552
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: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1486.187678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.187678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.187678 (E_RNA)
where:
Base-Base interactions energy: -1013.036
where: short stacking energy: -394.156
Base-Backbone interact. energy: 7.705
local terms energy: -480.856695
where:
bonds (distance) C4'-P energy: -97.417
bonds (distance) P-C4' energy: -98.251
flat angles C4'-P-C4' energy: -112.510
flat angles P-C4'-P energy: -80.442
tors. eta vs tors. theta energy: -92.236
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: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1202.555301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.555301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.555301 (E_RNA)
where:
Base-Base interactions energy: -762.323
where: short stacking energy: -337.698
Base-Backbone interact. energy: -0.607
local terms energy: -439.624899
where:
bonds (distance) C4'-P energy: -103.832
bonds (distance) P-C4' energy: -100.217
flat angles C4'-P-C4' energy: -111.256
flat angles P-C4'-P energy: -61.289
tors. eta vs tors. theta energy: -63.031
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: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1135.559324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.559324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.559324 (E_RNA)
where:
Base-Base interactions energy: -726.498
where: short stacking energy: -348.010
Base-Backbone interact. energy: -1.990
local terms energy: -407.070627
where:
bonds (distance) C4'-P energy: -97.018
bonds (distance) P-C4' energy: -107.790
flat angles C4'-P-C4' energy: -87.160
flat angles P-C4'-P energy: -46.022
tors. eta vs tors. theta energy: -69.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -902.626906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.626906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.626906 (E_RNA)
where:
Base-Base interactions energy: -523.391
where: short stacking energy: -238.169
Base-Backbone interact. energy: 2.696
local terms energy: -381.932299
where:
bonds (distance) C4'-P energy: -97.698
bonds (distance) P-C4' energy: -108.943
flat angles C4'-P-C4' energy: -95.364
flat angles P-C4'-P energy: -48.751
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: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -515.281500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.281500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.281500 (E_RNA)
where:
Base-Base interactions energy: -221.611
where: short stacking energy: -161.533
Base-Backbone interact. energy: -1.527
local terms energy: -292.142969
where:
bonds (distance) C4'-P energy: -82.113
bonds (distance) P-C4' energy: -112.800
flat angles C4'-P-C4' energy: -86.406
flat angles P-C4'-P energy: -31.064
tors. eta vs tors. theta energy: 20.240
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: 323
Temperature: 0.900000
Total energy: -2098.554501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.554501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.554501 (E_RNA)
where:
Base-Base interactions energy: -1478.914
where: short stacking energy: -612.369
Base-Backbone interact. energy: -2.091
local terms energy: -617.549506
where:
bonds (distance) C4'-P energy: -108.372
bonds (distance) P-C4' energy: -110.879
flat angles C4'-P-C4' energy: -133.958
flat angles P-C4'-P energy: -91.152
tors. eta vs tors. theta energy: -173.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1960.416885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.416885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.416885 (E_RNA)
where:
Base-Base interactions energy: -1377.881
where: short stacking energy: -536.034
Base-Backbone interact. energy: 0.487
local terms energy: -583.022819
where:
bonds (distance) C4'-P energy: -118.912
bonds (distance) P-C4' energy: -108.989
flat angles C4'-P-C4' energy: -124.890
flat angles P-C4'-P energy: -81.189
tors. eta vs tors. theta energy: -149.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1971.444174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.444174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.444174 (E_RNA)
where:
Base-Base interactions energy: -1365.066
where: short stacking energy: -535.272
Base-Backbone interact. energy: -3.127
local terms energy: -603.250370
where:
bonds (distance) C4'-P energy: -104.644
bonds (distance) P-C4' energy: -121.915
flat angles C4'-P-C4' energy: -128.313
flat angles P-C4'-P energy: -90.241
tors. eta vs tors. theta energy: -158.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1879.307289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.307289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.307289 (E_RNA)
where:
Base-Base interactions energy: -1303.562
where: short stacking energy: -557.435
Base-Backbone interact. energy: -2.616
local terms energy: -573.129313
where:
bonds (distance) C4'-P energy: -96.684
bonds (distance) P-C4' energy: -105.542
flat angles C4'-P-C4' energy: -129.307
flat angles P-C4'-P energy: -74.966
tors. eta vs tors. theta energy: -166.630
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: 6
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1708.235278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.235278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.235278 (E_RNA)
where:
Base-Base interactions energy: -1168.814
where: short stacking energy: -475.542
Base-Backbone interact. energy: 3.427
local terms energy: -542.849064
where:
bonds (distance) C4'-P energy: -104.074
bonds (distance) P-C4' energy: -118.066
flat angles C4'-P-C4' energy: -129.281
flat angles P-C4'-P energy: -60.464
tors. eta vs tors. theta energy: -130.964
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: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1481.423446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.423446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.423446 (E_RNA)
where:
Base-Base interactions energy: -990.931
where: short stacking energy: -405.689
Base-Backbone interact. energy: 7.080
local terms energy: -497.573159
where:
bonds (distance) C4'-P energy: -90.634
bonds (distance) P-C4' energy: -105.054
flat angles C4'-P-C4' energy: -113.195
flat angles P-C4'-P energy: -83.100
tors. eta vs tors. theta energy: -105.590
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: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1198.557162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.557162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.557162 (E_RNA)
where:
Base-Base interactions energy: -763.342
where: short stacking energy: -352.767
Base-Backbone interact. energy: -0.991
local terms energy: -434.224682
where:
bonds (distance) C4'-P energy: -91.568
bonds (distance) P-C4' energy: -101.800
flat angles C4'-P-C4' energy: -99.098
flat angles P-C4'-P energy: -66.114
tors. eta vs tors. theta energy: -75.645
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: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1079.290795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.290795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.290795 (E_RNA)
where:
Base-Base interactions energy: -663.035
where: short stacking energy: -313.599
Base-Backbone interact. energy: -0.847
local terms energy: -415.408323
where:
bonds (distance) C4'-P energy: -96.625
bonds (distance) P-C4' energy: -108.602
flat angles C4'-P-C4' energy: -89.203
flat angles P-C4'-P energy: -67.155
tors. eta vs tors. theta energy: -53.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -886.053084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.053084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.053084 (E_RNA)
where:
Base-Base interactions energy: -531.112
where: short stacking energy: -245.835
Base-Backbone interact. energy: -1.000
local terms energy: -353.940792
where:
bonds (distance) C4'-P energy: -86.398
bonds (distance) P-C4' energy: -89.854
flat angles C4'-P-C4' energy: -85.039
flat angles P-C4'-P energy: -73.151
tors. eta vs tors. theta energy: -19.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -532.964380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.964380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.964380 (E_RNA)
where:
Base-Base interactions energy: -213.217
where: short stacking energy: -145.800
Base-Backbone interact. energy: 1.037
local terms energy: -320.783575
where:
bonds (distance) C4'-P energy: -101.213
bonds (distance) P-C4' energy: -97.116
flat angles C4'-P-C4' energy: -83.948
flat angles P-C4'-P energy: -38.718
tors. eta vs tors. theta energy: 0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -2082.900481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.900481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.900481 (E_RNA)
where:
Base-Base interactions energy: -1467.356
where: short stacking energy: -622.039
Base-Backbone interact. energy: -2.088
local terms energy: -613.456052
where:
bonds (distance) C4'-P energy: -105.274
bonds (distance) P-C4' energy: -112.948
flat angles C4'-P-C4' energy: -136.928
flat angles P-C4'-P energy: -87.382
tors. eta vs tors. theta energy: -170.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1991.206547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.206547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.206547 (E_RNA)
where:
Base-Base interactions energy: -1375.524
where: short stacking energy: -570.581
Base-Backbone interact. energy: -4.900
local terms energy: -610.782607
where:
bonds (distance) C4'-P energy: -114.699
bonds (distance) P-C4' energy: -115.793
flat angles C4'-P-C4' energy: -127.990
flat angles P-C4'-P energy: -81.331
tors. eta vs tors. theta energy: -170.970
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: 8
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1949.921389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.921389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.921389 (E_RNA)
where:
Base-Base interactions energy: -1348.886
where: short stacking energy: -554.639
Base-Backbone interact. energy: 0.117
local terms energy: -601.152175
where:
bonds (distance) C4'-P energy: -111.078
bonds (distance) P-C4' energy: -112.375
flat angles C4'-P-C4' energy: -125.214
flat angles P-C4'-P energy: -89.024
tors. eta vs tors. theta energy: -163.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1853.163136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.163136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.163136 (E_RNA)
where:
Base-Base interactions energy: -1255.901
where: short stacking energy: -534.831
Base-Backbone interact. energy: 0.328
local terms energy: -597.589888
where:
bonds (distance) C4'-P energy: -112.845
bonds (distance) P-C4' energy: -107.070
flat angles C4'-P-C4' energy: -126.946
flat angles P-C4'-P energy: -88.493
tors. eta vs tors. theta energy: -162.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1671.640468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.640468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.640468 (E_RNA)
where:
Base-Base interactions energy: -1127.316
where: short stacking energy: -483.124
Base-Backbone interact. energy: 2.051
local terms energy: -546.375523
where:
bonds (distance) C4'-P energy: -99.291
bonds (distance) P-C4' energy: -120.510
flat angles C4'-P-C4' energy: -114.546
flat angles P-C4'-P energy: -71.057
tors. eta vs tors. theta energy: -140.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1500.244969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.244969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.244969 (E_RNA)
where:
Base-Base interactions energy: -1016.090
where: short stacking energy: -417.606
Base-Backbone interact. energy: -2.668
local terms energy: -481.487633
where:
bonds (distance) C4'-P energy: -97.990
bonds (distance) P-C4' energy: -95.785
flat angles C4'-P-C4' energy: -115.925
flat angles P-C4'-P energy: -73.253
tors. eta vs tors. theta energy: -98.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1188.294538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1188.294538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1188.294538 (E_RNA)
where:
Base-Base interactions energy: -749.625
where: short stacking energy: -343.620
Base-Backbone interact. energy: -3.695
local terms energy: -434.974625
where:
bonds (distance) C4'-P energy: -95.267
bonds (distance) P-C4' energy: -97.066
flat angles C4'-P-C4' energy: -103.589
flat angles P-C4'-P energy: -58.888
tors. eta vs tors. theta energy: -80.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1097.292587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.292587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.292587 (E_RNA)
where:
Base-Base interactions energy: -696.143
where: short stacking energy: -331.213
Base-Backbone interact. energy: -0.123
local terms energy: -401.026081
where:
bonds (distance) C4'-P energy: -107.409
bonds (distance) P-C4' energy: -90.595
flat angles C4'-P-C4' energy: -88.761
flat angles P-C4'-P energy: -52.996
tors. eta vs tors. theta energy: -61.265
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: 4
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -920.304090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.304090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.304090 (E_RNA)
where:
Base-Base interactions energy: -552.392
where: short stacking energy: -246.791
Base-Backbone interact. energy: -3.634
local terms energy: -364.277765
where:
bonds (distance) C4'-P energy: -93.685
bonds (distance) P-C4' energy: -85.371
flat angles C4'-P-C4' energy: -85.965
flat angles P-C4'-P energy: -66.123
tors. eta vs tors. theta energy: -33.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -534.091066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.091066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.091066 (E_RNA)
where:
Base-Base interactions energy: -268.533
where: short stacking energy: -136.875
Base-Backbone interact. energy: 1.142
local terms energy: -266.700759
where:
bonds (distance) C4'-P energy: -80.305
bonds (distance) P-C4' energy: -93.436
flat angles C4'-P-C4' energy: -74.236
flat angles P-C4'-P energy: -34.793
tors. eta vs tors. theta energy: 16.068
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: 1, replica: 9
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -2107.365353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.365353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.365353 (E_RNA)
where:
Base-Base interactions energy: -1492.583
where: short stacking energy: -605.374
Base-Backbone interact. energy: -0.709
local terms energy: -614.073814
where:
bonds (distance) C4'-P energy: -107.564
bonds (distance) P-C4' energy: -115.022
flat angles C4'-P-C4' energy: -133.704
flat angles P-C4'-P energy: -88.809
tors. eta vs tors. theta energy: -168.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1964.406300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.406300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.406300 (E_RNA)
where:
Base-Base interactions energy: -1357.380
where: short stacking energy: -563.170
Base-Backbone interact. energy: -2.433
local terms energy: -604.593523
where:
bonds (distance) C4'-P energy: -101.048
bonds (distance) P-C4' energy: -115.945
flat angles C4'-P-C4' energy: -130.993
flat angles P-C4'-P energy: -94.396
tors. eta vs tors. theta energy: -162.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1966.521316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.521316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.521316 (E_RNA)
where:
Base-Base interactions energy: -1372.679
where: short stacking energy: -554.820
Base-Backbone interact. energy: -2.725
local terms energy: -591.117874
where:
bonds (distance) C4'-P energy: -107.735
bonds (distance) P-C4' energy: -110.656
flat angles C4'-P-C4' energy: -126.107
flat angles P-C4'-P energy: -81.259
tors. eta vs tors. theta energy: -165.362
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: 5
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1818.240036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.240036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.240036 (E_RNA)
where:
Base-Base interactions energy: -1270.136
where: short stacking energy: -543.553
Base-Backbone interact. energy: -3.214
local terms energy: -544.890460
where:
bonds (distance) C4'-P energy: -89.749
bonds (distance) P-C4' energy: -102.911
flat angles C4'-P-C4' energy: -117.638
flat angles P-C4'-P energy: -82.133
tors. eta vs tors. theta energy: -152.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1738.086938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.086938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.086938 (E_RNA)
where:
Base-Base interactions energy: -1191.823
where: short stacking energy: -511.218
Base-Backbone interact. energy: -1.747
local terms energy: -544.516928
where:
bonds (distance) C4'-P energy: -108.612
bonds (distance) P-C4' energy: -105.029
flat angles C4'-P-C4' energy: -115.203
flat angles P-C4'-P energy: -69.635
tors. eta vs tors. theta energy: -146.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1483.599683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.599683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.599683 (E_RNA)
where:
Base-Base interactions energy: -996.396
where: short stacking energy: -414.844
Base-Backbone interact. energy: -3.467
local terms energy: -483.736271
where:
bonds (distance) C4'-P energy: -103.090
bonds (distance) P-C4' energy: -110.001
flat angles C4'-P-C4' energy: -96.427
flat angles P-C4'-P energy: -70.281
tors. eta vs tors. theta energy: -103.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1250.951713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.951713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.951713 (E_RNA)
where:
Base-Base interactions energy: -779.226
where: short stacking energy: -385.804
Base-Backbone interact. energy: 2.282
local terms energy: -474.008168
where:
bonds (distance) C4'-P energy: -101.834
bonds (distance) P-C4' energy: -97.908
flat angles C4'-P-C4' energy: -116.424
flat angles P-C4'-P energy: -64.469
tors. eta vs tors. theta energy: -93.373
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: 8, replica: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1101.854667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.854667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.854667 (E_RNA)
where:
Base-Base interactions energy: -669.458
where: short stacking energy: -330.095
Base-Backbone interact. energy: 1.305
local terms energy: -433.701718
where:
bonds (distance) C4'-P energy: -90.651
bonds (distance) P-C4' energy: -93.650
flat angles C4'-P-C4' energy: -111.195
flat angles P-C4'-P energy: -61.017
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: 9, replica: 4
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -894.666335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.666335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.666335 (E_RNA)
where:
Base-Base interactions energy: -525.514
where: short stacking energy: -246.152
Base-Backbone interact. energy: -1.983
local terms energy: -367.169675
where:
bonds (distance) C4'-P energy: -98.081
bonds (distance) P-C4' energy: -97.886
flat angles C4'-P-C4' energy: -95.548
flat angles P-C4'-P energy: -50.357
tors. eta vs tors. theta energy: -25.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -518.651952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.651952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.651952 (E_RNA)
where:
Base-Base interactions energy: -224.310
where: short stacking energy: -146.802
Base-Backbone interact. energy: -3.323
local terms energy: -291.019154
where:
bonds (distance) C4'-P energy: -86.629
bonds (distance) P-C4' energy: -90.965
flat angles C4'-P-C4' energy: -83.004
flat angles P-C4'-P energy: -41.056
tors. eta vs tors. theta energy: 10.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -2111.041969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.041969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.041969 (E_RNA)
where:
Base-Base interactions energy: -1484.802
where: short stacking energy: -610.124
Base-Backbone interact. energy: -2.132
local terms energy: -624.107591
where:
bonds (distance) C4'-P energy: -112.564
bonds (distance) P-C4' energy: -120.211
flat angles C4'-P-C4' energy: -122.015
flat angles P-C4'-P energy: -93.058
tors. eta vs tors. theta energy: -176.261
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: 2, replica: 7
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1981.308712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.308712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.308712 (E_RNA)
where:
Base-Base interactions energy: -1360.388
where: short stacking energy: -579.296
Base-Backbone interact. energy: -2.489
local terms energy: -618.432018
where:
bonds (distance) C4'-P energy: -117.662
bonds (distance) P-C4' energy: -113.166
flat angles C4'-P-C4' energy: -134.694
flat angles P-C4'-P energy: -77.552
tors. eta vs tors. theta energy: -175.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1962.894758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.894758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.894758 (E_RNA)
where:
Base-Base interactions energy: -1352.329
where: short stacking energy: -567.735
Base-Backbone interact. energy: 2.991
local terms energy: -613.556602
where:
bonds (distance) C4'-P energy: -112.674
bonds (distance) P-C4' energy: -111.726
flat angles C4'-P-C4' energy: -131.530
flat angles P-C4'-P energy: -82.026
tors. eta vs tors. theta energy: -175.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1826.213486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.213486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.213486 (E_RNA)
where:
Base-Base interactions energy: -1245.175
where: short stacking energy: -517.321
Base-Backbone interact. energy: -2.090
local terms energy: -578.948683
where:
bonds (distance) C4'-P energy: -110.213
bonds (distance) P-C4' energy: -112.344
flat angles C4'-P-C4' energy: -113.673
flat angles P-C4'-P energy: -91.698
tors. eta vs tors. theta energy: -151.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1711.994784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.994784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.994784 (E_RNA)
where:
Base-Base interactions energy: -1161.377
where: short stacking energy: -518.090
Base-Backbone interact. energy: -1.827
local terms energy: -548.790639
where:
bonds (distance) C4'-P energy: -99.037
bonds (distance) P-C4' energy: -103.047
flat angles C4'-P-C4' energy: -120.761
flat angles P-C4'-P energy: -80.251
tors. eta vs tors. theta energy: -145.694
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: 326
Temperature: 1.150000
Total energy: -1527.272455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.272455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.272455 (E_RNA)
where:
Base-Base interactions energy: -1035.626
where: short stacking energy: -427.105
Base-Backbone interact. energy: 1.482
local terms energy: -493.128100
where:
bonds (distance) C4'-P energy: -95.916
bonds (distance) P-C4' energy: -101.008
flat angles C4'-P-C4' energy: -118.142
flat angles P-C4'-P energy: -68.070
tors. eta vs tors. theta energy: -109.993
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: 326
Temperature: 1.200000
Total energy: -1301.847086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.847086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.847086 (E_RNA)
where:
Base-Base interactions energy: -826.257
where: short stacking energy: -404.834
Base-Backbone interact. energy: -0.308
local terms energy: -475.281435
where:
bonds (distance) C4'-P energy: -100.034
bonds (distance) P-C4' energy: -92.229
flat angles C4'-P-C4' energy: -101.531
flat angles P-C4'-P energy: -78.911
tors. eta vs tors. theta energy: -102.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -981.631611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.631611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.631611 (E_RNA)
where:
Base-Base interactions energy: -574.206
where: short stacking energy: -290.224
Base-Backbone interact. energy: 0.077
local terms energy: -407.502991
where:
bonds (distance) C4'-P energy: -105.210
bonds (distance) P-C4' energy: -90.628
flat angles C4'-P-C4' energy: -106.380
flat angles P-C4'-P energy: -58.733
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: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -894.452425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.452425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.452425 (E_RNA)
where:
Base-Base interactions energy: -559.270
where: short stacking energy: -295.955
Base-Backbone interact. energy: 2.645
local terms energy: -337.827585
where:
bonds (distance) C4'-P energy: -70.381
bonds (distance) P-C4' energy: -95.610
flat angles C4'-P-C4' energy: -93.439
flat angles P-C4'-P energy: -39.296
tors. eta vs tors. theta energy: -39.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -505.148227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.148227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.148227 (E_RNA)
where:
Base-Base interactions energy: -231.620
where: short stacking energy: -159.560
Base-Backbone interact. energy: 1.125
local terms energy: -274.653843
where:
bonds (distance) C4'-P energy: -96.341
bonds (distance) P-C4' energy: -83.885
flat angles C4'-P-C4' energy: -68.047
flat angles P-C4'-P energy: -48.053
tors. eta vs tors. theta energy: 21.672
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: 1, replica: 9
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -2105.708738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.708738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.708738 (E_RNA)
where:
Base-Base interactions energy: -1469.964
where: short stacking energy: -620.961
Base-Backbone interact. energy: -0.131
local terms energy: -635.613963
where:
bonds (distance) C4'-P energy: -103.036
bonds (distance) P-C4' energy: -120.073
flat angles C4'-P-C4' energy: -135.567
flat angles P-C4'-P energy: -96.601
tors. eta vs tors. theta energy: -180.338
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: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1999.766330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.766330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.766330 (E_RNA)
where:
Base-Base interactions energy: -1392.338
where: short stacking energy: -569.269
Base-Backbone interact. energy: -1.961
local terms energy: -605.467946
where:
bonds (distance) C4'-P energy: -108.214
bonds (distance) P-C4' energy: -108.858
flat angles C4'-P-C4' energy: -133.880
flat angles P-C4'-P energy: -94.608
tors. eta vs tors. theta energy: -159.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1912.837886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.837886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.837886 (E_RNA)
where:
Base-Base interactions energy: -1347.931
where: short stacking energy: -579.281
Base-Backbone interact. energy: -1.703
local terms energy: -563.203615
where:
bonds (distance) C4'-P energy: -93.920
bonds (distance) P-C4' energy: -100.962
flat angles C4'-P-C4' energy: -121.852
flat angles P-C4'-P energy: -77.458
tors. eta vs tors. theta energy: -169.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1837.386698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.386698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.386698 (E_RNA)
where:
Base-Base interactions energy: -1268.359
where: short stacking energy: -526.557
Base-Backbone interact. energy: 0.044
local terms energy: -569.071743
where:
bonds (distance) C4'-P energy: -106.719
bonds (distance) P-C4' energy: -105.790
flat angles C4'-P-C4' energy: -120.932
flat angles P-C4'-P energy: -77.585
tors. eta vs tors. theta energy: -158.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1713.248995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.248995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.248995 (E_RNA)
where:
Base-Base interactions energy: -1179.487
where: short stacking energy: -503.125
Base-Backbone interact. energy: 1.293
local terms energy: -535.055188
where:
bonds (distance) C4'-P energy: -93.239
bonds (distance) P-C4' energy: -97.817
flat angles C4'-P-C4' energy: -113.915
flat angles P-C4'-P energy: -87.153
tors. eta vs tors. theta energy: -142.931
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: 327
Temperature: 1.150000
Total energy: -1539.466265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.466265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.466265 (E_RNA)
where:
Base-Base interactions energy: -1024.765
where: short stacking energy: -427.312
Base-Backbone interact. energy: -1.778
local terms energy: -512.923222
where:
bonds (distance) C4'-P energy: -99.684
bonds (distance) P-C4' energy: -112.051
flat angles C4'-P-C4' energy: -120.919
flat angles P-C4'-P energy: -83.798
tors. eta vs tors. theta energy: -96.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1291.358007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.358007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.358007 (E_RNA)
where:
Base-Base interactions energy: -796.799
where: short stacking energy: -409.027
Base-Backbone interact. energy: -0.763
local terms energy: -493.796167
where:
bonds (distance) C4'-P energy: -108.746
bonds (distance) P-C4' energy: -92.072
flat angles C4'-P-C4' energy: -109.473
flat angles P-C4'-P energy: -72.394
tors. eta vs tors. theta energy: -111.111
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: 327
Temperature: 1.250000
Total energy: -935.328028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.328028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.328028 (E_RNA)
where:
Base-Base interactions energy: -541.668
where: short stacking energy: -259.454
Base-Backbone interact. energy: -4.109
local terms energy: -389.550679
where:
bonds (distance) C4'-P energy: -94.063
bonds (distance) P-C4' energy: -99.515
flat angles C4'-P-C4' energy: -98.122
flat angles P-C4'-P energy: -58.407
tors. eta vs tors. theta energy: -39.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -968.714015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.714015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.714015 (E_RNA)
where:
Base-Base interactions energy: -582.239
where: short stacking energy: -277.681
Base-Backbone interact. energy: -1.609
local terms energy: -384.866400
where:
bonds (distance) C4'-P energy: -99.598
bonds (distance) P-C4' energy: -94.892
flat angles C4'-P-C4' energy: -89.827
flat angles P-C4'-P energy: -59.469
tors. eta vs tors. theta energy: -41.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -473.866776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.866776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.866776 (E_RNA)
where:
Base-Base interactions energy: -219.408
where: short stacking energy: -143.983
Base-Backbone interact. energy: -1.951
local terms energy: -252.507318
where:
bonds (distance) C4'-P energy: -86.004
bonds (distance) P-C4' energy: -84.989
flat angles C4'-P-C4' energy: -63.247
flat angles P-C4'-P energy: -45.627
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: 1, replica: 9
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -2097.768497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.768497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.768497 (E_RNA)
where:
Base-Base interactions energy: -1494.243
where: short stacking energy: -607.297
Base-Backbone interact. energy: 0.681
local terms energy: -604.207119
where:
bonds (distance) C4'-P energy: -109.956
bonds (distance) P-C4' energy: -111.687
flat angles C4'-P-C4' energy: -133.882
flat angles P-C4'-P energy: -81.757
tors. eta vs tors. theta energy: -166.925
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: 8
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -2009.895627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.895627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.895627 (E_RNA)
where:
Base-Base interactions energy: -1404.473
where: short stacking energy: -577.949
Base-Backbone interact. energy: -3.103
local terms energy: -602.319826
where:
bonds (distance) C4'-P energy: -112.005
bonds (distance) P-C4' energy: -107.669
flat angles C4'-P-C4' energy: -129.318
flat angles P-C4'-P energy: -80.201
tors. eta vs tors. theta energy: -173.127
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: 328
Temperature: 1.000000
Total energy: -1915.206032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.206032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.206032 (E_RNA)
where:
Base-Base interactions energy: -1313.522
where: short stacking energy: -556.930
Base-Backbone interact. energy: -3.230
local terms energy: -598.453686
where:
bonds (distance) C4'-P energy: -114.407
bonds (distance) P-C4' energy: -106.818
flat angles C4'-P-C4' energy: -127.604
flat angles P-C4'-P energy: -84.202
tors. eta vs tors. theta energy: -165.423
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: 5
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1808.620921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.620921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.620921 (E_RNA)
where:
Base-Base interactions energy: -1232.556
where: short stacking energy: -514.751
Base-Backbone interact. energy: -0.687
local terms energy: -575.377381
where:
bonds (distance) C4'-P energy: -114.940
bonds (distance) P-C4' energy: -111.802
flat angles C4'-P-C4' energy: -112.480
flat angles P-C4'-P energy: -84.177
tors. eta vs tors. theta energy: -151.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1677.554257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.554257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.554257 (E_RNA)
where:
Base-Base interactions energy: -1158.390
where: short stacking energy: -498.990
Base-Backbone interact. energy: -3.628
local terms energy: -515.536394
where:
bonds (distance) C4'-P energy: -75.181
bonds (distance) P-C4' energy: -106.793
flat angles C4'-P-C4' energy: -115.942
flat angles P-C4'-P energy: -66.984
tors. eta vs tors. theta energy: -150.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1502.447396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.447396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.447396 (E_RNA)
where:
Base-Base interactions energy: -1003.029
where: short stacking energy: -413.788
Base-Backbone interact. energy: -3.410
local terms energy: -496.007677
where:
bonds (distance) C4'-P energy: -111.598
bonds (distance) P-C4' energy: -107.663
flat angles C4'-P-C4' energy: -122.537
flat angles P-C4'-P energy: -60.226
tors. eta vs tors. theta energy: -93.985
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: 328
Temperature: 1.200000
Total energy: -1283.893360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.893360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.893360 (E_RNA)
where:
Base-Base interactions energy: -838.690
where: short stacking energy: -377.029
Base-Backbone interact. energy: 3.292
local terms energy: -448.495614
where:
bonds (distance) C4'-P energy: -96.110
bonds (distance) P-C4' energy: -86.401
flat angles C4'-P-C4' energy: -108.569
flat angles P-C4'-P energy: -64.955
tors. eta vs tors. theta energy: -92.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -959.970158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.970158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.970158 (E_RNA)
where:
Base-Base interactions energy: -577.992
where: short stacking energy: -251.221
Base-Backbone interact. energy: -2.175
local terms energy: -379.803169
where:
bonds (distance) C4'-P energy: -89.906
bonds (distance) P-C4' energy: -106.444
flat angles C4'-P-C4' energy: -111.811
flat angles P-C4'-P energy: -49.886
tors. eta vs tors. theta energy: -21.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -852.381093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.381093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.381093 (E_RNA)
where:
Base-Base interactions energy: -511.314
where: short stacking energy: -252.849
Base-Backbone interact. energy: -1.477
local terms energy: -339.590069
where:
bonds (distance) C4'-P energy: -96.495
bonds (distance) P-C4' energy: -102.519
flat angles C4'-P-C4' energy: -78.469
flat angles P-C4'-P energy: -43.303
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -449.506030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.506030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.506030 (E_RNA)
where:
Base-Base interactions energy: -170.717
where: short stacking energy: -128.200
Base-Backbone interact. energy: -2.602
local terms energy: -276.187070
where:
bonds (distance) C4'-P energy: -85.620
bonds (distance) P-C4' energy: -103.614
flat angles C4'-P-C4' energy: -69.636
flat angles P-C4'-P energy: -33.011
tors. eta vs tors. theta energy: 15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -2098.930602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.930602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.930602 (E_RNA)
where:
Base-Base interactions energy: -1471.684
where: short stacking energy: -607.334
Base-Backbone interact. energy: 7.111
local terms energy: -634.357785
where:
bonds (distance) C4'-P energy: -112.487
bonds (distance) P-C4' energy: -117.300
flat angles C4'-P-C4' energy: -137.305
flat angles P-C4'-P energy: -86.968
tors. eta vs tors. theta energy: -180.298
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: 8
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1982.235377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.235377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.235377 (E_RNA)
where:
Base-Base interactions energy: -1357.392
where: short stacking energy: -574.275
Base-Backbone interact. energy: -2.949
local terms energy: -621.893645
where:
bonds (distance) C4'-P energy: -110.656
bonds (distance) P-C4' energy: -123.202
flat angles C4'-P-C4' energy: -134.310
flat angles P-C4'-P energy: -72.534
tors. eta vs tors. theta energy: -181.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1881.861076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.861076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.861076 (E_RNA)
where:
Base-Base interactions energy: -1297.789
where: short stacking energy: -551.590
Base-Backbone interact. energy: -1.574
local terms energy: -582.498660
where:
bonds (distance) C4'-P energy: -109.425
bonds (distance) P-C4' energy: -107.528
flat angles C4'-P-C4' energy: -135.341
flat angles P-C4'-P energy: -74.392
tors. eta vs tors. theta energy: -155.813
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: 5
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1789.261107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.261107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.261107 (E_RNA)
where:
Base-Base interactions energy: -1235.107
where: short stacking energy: -513.514
Base-Backbone interact. energy: 0.432
local terms energy: -554.586338
where:
bonds (distance) C4'-P energy: -94.623
bonds (distance) P-C4' energy: -113.884
flat angles C4'-P-C4' energy: -113.876
flat angles P-C4'-P energy: -81.376
tors. eta vs tors. theta energy: -150.827
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: 329
Temperature: 1.100000
Total energy: -1747.978571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.978571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.978571 (E_RNA)
where:
Base-Base interactions energy: -1173.417
where: short stacking energy: -513.660
Base-Backbone interact. energy: 3.931
local terms energy: -578.492130
where:
bonds (distance) C4'-P energy: -104.685
bonds (distance) P-C4' energy: -107.572
flat angles C4'-P-C4' energy: -129.454
flat angles P-C4'-P energy: -83.927
tors. eta vs tors. theta energy: -152.854
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: 329
Temperature: 1.150000
Total energy: -1482.227496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.227496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.227496 (E_RNA)
where:
Base-Base interactions energy: -982.403
where: short stacking energy: -432.812
Base-Backbone interact. energy: 0.094
local terms energy: -499.918364
where:
bonds (distance) C4'-P energy: -99.278
bonds (distance) P-C4' energy: -106.291
flat angles C4'-P-C4' energy: -100.696
flat angles P-C4'-P energy: -78.980
tors. eta vs tors. theta energy: -114.672
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: 3
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1221.719956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.719956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.719956 (E_RNA)
where:
Base-Base interactions energy: -766.864
where: short stacking energy: -363.347
Base-Backbone interact. energy: -0.018
local terms energy: -454.837833
where:
bonds (distance) C4'-P energy: -100.385
bonds (distance) P-C4' energy: -85.863
flat angles C4'-P-C4' energy: -109.356
flat angles P-C4'-P energy: -70.334
tors. eta vs tors. theta energy: -88.900
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: 8, replica: 4
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -948.482920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.482920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.482920 (E_RNA)
where:
Base-Base interactions energy: -579.198
where: short stacking energy: -273.132
Base-Backbone interact. energy: 3.444
local terms energy: -372.729223
where:
bonds (distance) C4'-P energy: -76.624
bonds (distance) P-C4' energy: -108.646
flat angles C4'-P-C4' energy: -92.309
flat angles P-C4'-P energy: -52.323
tors. eta vs tors. theta energy: -42.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -922.294023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.294023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.294023 (E_RNA)
where:
Base-Base interactions energy: -549.336
where: short stacking energy: -244.196
Base-Backbone interact. energy: 2.634
local terms energy: -375.591640
where:
bonds (distance) C4'-P energy: -91.214
bonds (distance) P-C4' energy: -93.086
flat angles C4'-P-C4' energy: -90.960
flat angles P-C4'-P energy: -71.685
tors. eta vs tors. theta energy: -28.647
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: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -439.118115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.118115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.118115 (E_RNA)
where:
Base-Base interactions energy: -154.843
where: short stacking energy: -122.618
Base-Backbone interact. energy: 2.021
local terms energy: -286.295850
where:
bonds (distance) C4'-P energy: -90.684
bonds (distance) P-C4' energy: -109.729
flat angles C4'-P-C4' energy: -84.525
flat angles P-C4'-P energy: -51.563
tors. eta vs tors. theta energy: 50.206
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: 9
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -2095.022030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.022030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.022030 (E_RNA)
where:
Base-Base interactions energy: -1467.107
where: short stacking energy: -599.074
Base-Backbone interact. energy: -0.804
local terms energy: -627.110997
where:
bonds (distance) C4'-P energy: -119.450
bonds (distance) P-C4' energy: -112.517
flat angles C4'-P-C4' energy: -132.040
flat angles P-C4'-P energy: -85.645
tors. eta vs tors. theta energy: -177.460
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: 8
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -2017.360094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.360094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.360094 (E_RNA)
where:
Base-Base interactions energy: -1399.031
where: short stacking energy: -580.210
Base-Backbone interact. energy: -2.885
local terms energy: -615.443812
where:
bonds (distance) C4'-P energy: -111.092
bonds (distance) P-C4' energy: -121.139
flat angles C4'-P-C4' energy: -124.991
flat angles P-C4'-P energy: -91.229
tors. eta vs tors. theta energy: -166.993
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: 3, replica: 7
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1852.975273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.975273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.975273 (E_RNA)
where:
Base-Base interactions energy: -1263.996
where: short stacking energy: -512.263
Base-Backbone interact. energy: -3.905
local terms energy: -585.073557
where:
bonds (distance) C4'-P energy: -114.517
bonds (distance) P-C4' energy: -110.644
flat angles C4'-P-C4' energy: -127.426
flat angles P-C4'-P energy: -82.103
tors. eta vs tors. theta energy: -150.384
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: 5
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1775.045530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.045530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.045530 (E_RNA)
where:
Base-Base interactions energy: -1187.025
where: short stacking energy: -529.665
Base-Backbone interact. energy: -3.717
local terms energy: -584.303159
where:
bonds (distance) C4'-P energy: -112.067
bonds (distance) P-C4' energy: -107.416
flat angles C4'-P-C4' energy: -128.338
flat angles P-C4'-P energy: -84.480
tors. eta vs tors. theta energy: -152.003
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: 5, replica: 6
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1715.396938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.396938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.396938 (E_RNA)
where:
Base-Base interactions energy: -1194.579
where: short stacking energy: -490.184
Base-Backbone interact. energy: -1.072
local terms energy: -519.746161
where:
bonds (distance) C4'-P energy: -76.279
bonds (distance) P-C4' energy: -99.814
flat angles C4'-P-C4' energy: -124.226
flat angles P-C4'-P energy: -84.450
tors. eta vs tors. theta energy: -134.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1482.300514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.300514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.300514 (E_RNA)
where:
Base-Base interactions energy: -997.809
where: short stacking energy: -418.472
Base-Backbone interact. energy: 0.092
local terms energy: -484.583705
where:
bonds (distance) C4'-P energy: -95.374
bonds (distance) P-C4' energy: -105.746
flat angles C4'-P-C4' energy: -110.359
flat angles P-C4'-P energy: -78.630
tors. eta vs tors. theta energy: -94.475
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: 330
Temperature: 1.200000
Total energy: -1218.232248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.232248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.232248 (E_RNA)
where:
Base-Base interactions energy: -759.848
where: short stacking energy: -332.022
Base-Backbone interact. energy: -4.834
local terms energy: -453.550637
where:
bonds (distance) C4'-P energy: -97.559
bonds (distance) P-C4' energy: -111.944
flat angles C4'-P-C4' energy: -110.715
flat angles P-C4'-P energy: -63.531
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: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -947.356484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.356484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.356484 (E_RNA)
where:
Base-Base interactions energy: -558.199
where: short stacking energy: -269.919
Base-Backbone interact. energy: 3.275
local terms energy: -392.432915
where:
bonds (distance) C4'-P energy: -100.390
bonds (distance) P-C4' energy: -92.167
flat angles C4'-P-C4' energy: -96.997
flat angles P-C4'-P energy: -68.999
tors. eta vs tors. theta energy: -33.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -925.372601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.372601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.372601 (E_RNA)
where:
Base-Base interactions energy: -546.767
where: short stacking energy: -266.408
Base-Backbone interact. energy: -1.516
local terms energy: -377.090059
where:
bonds (distance) C4'-P energy: -90.693
bonds (distance) P-C4' energy: -96.322
flat angles C4'-P-C4' energy: -87.787
flat angles P-C4'-P energy: -51.944
tors. eta vs tors. theta energy: -50.344
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: 2
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -444.223237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.223237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.223237 (E_RNA)
where:
Base-Base interactions energy: -144.891
where: short stacking energy: -129.285
Base-Backbone interact. energy: 3.600
local terms energy: -302.932418
where:
bonds (distance) C4'-P energy: -88.575
bonds (distance) P-C4' energy: -84.040
flat angles C4'-P-C4' energy: -87.877
flat angles P-C4'-P energy: -50.591
tors. eta vs tors. theta energy: 8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -2109.527828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.527828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.527828 (E_RNA)
where:
Base-Base interactions energy: -1492.914
where: short stacking energy: -603.671
Base-Backbone interact. energy: -1.875
local terms energy: -614.738266
where:
bonds (distance) C4'-P energy: -108.923
bonds (distance) P-C4' energy: -106.320
flat angles C4'-P-C4' energy: -136.776
flat angles P-C4'-P energy: -91.466
tors. eta vs tors. theta energy: -171.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -2010.041607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.041607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.041607 (E_RNA)
where:
Base-Base interactions energy: -1403.818
where: short stacking energy: -567.973
Base-Backbone interact. energy: -1.846
local terms energy: -604.377333
where:
bonds (distance) C4'-P energy: -103.442
bonds (distance) P-C4' energy: -114.681
flat angles C4'-P-C4' energy: -137.024
flat angles P-C4'-P energy: -80.288
tors. eta vs tors. theta energy: -168.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1904.597060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.597060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.597060 (E_RNA)
where:
Base-Base interactions energy: -1342.022
where: short stacking energy: -569.342
Base-Backbone interact. energy: -3.049
local terms energy: -559.525133
where:
bonds (distance) C4'-P energy: -96.138
bonds (distance) P-C4' energy: -91.798
flat angles C4'-P-C4' energy: -114.142
flat angles P-C4'-P energy: -90.186
tors. eta vs tors. theta energy: -167.261
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: 5
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -1772.664018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.664018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.664018 (E_RNA)
where:
Base-Base interactions energy: -1209.094
where: short stacking energy: -525.886
Base-Backbone interact. energy: -0.561
local terms energy: -563.008510
where:
bonds (distance) C4'-P energy: -100.217
bonds (distance) P-C4' energy: -109.364
flat angles C4'-P-C4' energy: -126.461
flat angles P-C4'-P energy: -85.238
tors. eta vs tors. theta energy: -141.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1672.326205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.326205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.326205 (E_RNA)
where:
Base-Base interactions energy: -1140.110
where: short stacking energy: -492.583
Base-Backbone interact. energy: -3.546
local terms energy: -528.669933
where:
bonds (distance) C4'-P energy: -103.740
bonds (distance) P-C4' energy: -87.107
flat angles C4'-P-C4' energy: -101.765
flat angles P-C4'-P energy: -82.282
tors. eta vs tors. theta energy: -153.776
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: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1491.021510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.021510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.021510 (E_RNA)
where:
Base-Base interactions energy: -1009.386
where: short stacking energy: -443.736
Base-Backbone interact. energy: -1.478
local terms energy: -480.157847
where:
bonds (distance) C4'-P energy: -87.649
bonds (distance) P-C4' energy: -100.577
flat angles C4'-P-C4' energy: -97.907
flat angles P-C4'-P energy: -75.912
tors. eta vs tors. theta energy: -118.111
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: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1213.198432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.198432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.198432 (E_RNA)
where:
Base-Base interactions energy: -781.259
where: short stacking energy: -372.478
Base-Backbone interact. energy: -3.647
local terms energy: -428.292482
where:
bonds (distance) C4'-P energy: -101.787
bonds (distance) P-C4' energy: -88.035
flat angles C4'-P-C4' energy: -107.304
flat angles P-C4'-P energy: -54.235
tors. eta vs tors. theta energy: -76.932
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: 10
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -980.892509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.892509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.892509 (E_RNA)
where:
Base-Base interactions energy: -579.287
where: short stacking energy: -298.097
Base-Backbone interact. energy: 2.486
local terms energy: -404.091545
where:
bonds (distance) C4'-P energy: -101.170
bonds (distance) P-C4' energy: -94.617
flat angles C4'-P-C4' energy: -98.035
flat angles P-C4'-P energy: -41.545
tors. eta vs tors. theta energy: -68.725
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: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -893.813268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.813268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.813268 (E_RNA)
where:
Base-Base interactions energy: -525.164
where: short stacking energy: -234.169
Base-Backbone interact. energy: -1.916
local terms energy: -366.733461
where:
bonds (distance) C4'-P energy: -95.400
bonds (distance) P-C4' energy: -92.910
flat angles C4'-P-C4' energy: -92.036
flat angles P-C4'-P energy: -53.164
tors. eta vs tors. theta energy: -33.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -497.081649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.081649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.081649 (E_RNA)
where:
Base-Base interactions energy: -207.090
where: short stacking energy: -128.716
Base-Backbone interact. energy: -2.178
local terms energy: -287.813095
where:
bonds (distance) C4'-P energy: -94.080
bonds (distance) P-C4' energy: -89.769
flat angles C4'-P-C4' energy: -74.776
flat angles P-C4'-P energy: -55.718
tors. eta vs tors. theta energy: 26.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -2035.019116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.019116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.019116 (E_RNA)
where:
Base-Base interactions energy: -1431.706
where: short stacking energy: -572.571
Base-Backbone interact. energy: -3.367
local terms energy: -599.945484
where:
bonds (distance) C4'-P energy: -96.858
bonds (distance) P-C4' energy: -116.063
flat angles C4'-P-C4' energy: -136.381
flat angles P-C4'-P energy: -82.235
tors. eta vs tors. theta energy: -168.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -2047.347759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.347759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.347759 (E_RNA)
where:
Base-Base interactions energy: -1439.527
where: short stacking energy: -601.192
Base-Backbone interact. energy: -2.074
local terms energy: -605.746307
where:
bonds (distance) C4'-P energy: -112.819
bonds (distance) P-C4' energy: -109.190
flat angles C4'-P-C4' energy: -125.470
flat angles P-C4'-P energy: -94.076
tors. eta vs tors. theta energy: -164.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1902.112893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.112893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.112893 (E_RNA)
where:
Base-Base interactions energy: -1300.918
where: short stacking energy: -565.415
Base-Backbone interact. energy: -2.239
local terms energy: -598.956226
where:
bonds (distance) C4'-P energy: -97.327
bonds (distance) P-C4' energy: -115.209
flat angles C4'-P-C4' energy: -133.700
flat angles P-C4'-P energy: -90.271
tors. eta vs tors. theta energy: -162.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1750.251491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.251491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.251491 (E_RNA)
where:
Base-Base interactions energy: -1165.554
where: short stacking energy: -495.014
Base-Backbone interact. energy: -2.140
local terms energy: -582.558296
where:
bonds (distance) C4'-P energy: -119.008
bonds (distance) P-C4' energy: -124.675
flat angles C4'-P-C4' energy: -112.510
flat angles P-C4'-P energy: -84.886
tors. eta vs tors. theta energy: -141.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1730.464685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.464685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.464685 (E_RNA)
where:
Base-Base interactions energy: -1196.349
where: short stacking energy: -502.576
Base-Backbone interact. energy: -2.318
local terms energy: -531.798346
where:
bonds (distance) C4'-P energy: -96.479
bonds (distance) P-C4' energy: -103.920
flat angles C4'-P-C4' energy: -119.395
flat angles P-C4'-P energy: -65.756
tors. eta vs tors. theta energy: -146.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1513.886257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.886257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.886257 (E_RNA)
where:
Base-Base interactions energy: -1015.836
where: short stacking energy: -462.657
Base-Backbone interact. energy: 1.825
local terms energy: -499.875557
where:
bonds (distance) C4'-P energy: -94.518
bonds (distance) P-C4' energy: -103.860
flat angles C4'-P-C4' energy: -119.213
flat angles P-C4'-P energy: -65.617
tors. eta vs tors. theta energy: -116.666
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: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1242.494337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.494337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.494337 (E_RNA)
where:
Base-Base interactions energy: -806.974
where: short stacking energy: -378.355
Base-Backbone interact. energy: -0.455
local terms energy: -435.064849
where:
bonds (distance) C4'-P energy: -95.604
bonds (distance) P-C4' energy: -90.488
flat angles C4'-P-C4' energy: -100.694
flat angles P-C4'-P energy: -79.841
tors. eta vs tors. theta energy: -68.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1011.604261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.604261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.604261 (E_RNA)
where:
Base-Base interactions energy: -589.865
where: short stacking energy: -251.283
Base-Backbone interact. energy: -2.882
local terms energy: -418.857004
where:
bonds (distance) C4'-P energy: -107.619
bonds (distance) P-C4' energy: -98.884
flat angles C4'-P-C4' energy: -111.608
flat angles P-C4'-P energy: -73.463
tors. eta vs tors. theta energy: -27.284
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: 9, replica: 4
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -882.807999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.807999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.807999 (E_RNA)
where:
Base-Base interactions energy: -546.600
where: short stacking energy: -230.924
Base-Backbone interact. energy: -0.587
local terms energy: -335.621668
where:
bonds (distance) C4'-P energy: -82.497
bonds (distance) P-C4' energy: -109.632
flat angles C4'-P-C4' energy: -78.165
flat angles P-C4'-P energy: -45.837
tors. eta vs tors. theta energy: -19.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -497.448265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.448265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.448265 (E_RNA)
where:
Base-Base interactions energy: -210.617
where: short stacking energy: -143.873
Base-Backbone interact. energy: 6.151
local terms energy: -292.981965
where:
bonds (distance) C4'-P energy: -96.998
bonds (distance) P-C4' energy: -95.012
flat angles C4'-P-C4' energy: -65.861
flat angles P-C4'-P energy: -53.102
tors. eta vs tors. theta energy: 17.992
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: 1, replica: 8
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -2059.193060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.193060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.193060 (E_RNA)
where:
Base-Base interactions energy: -1443.076
where: short stacking energy: -589.117
Base-Backbone interact. energy: -3.850
local terms energy: -612.266849
where:
bonds (distance) C4'-P energy: -100.081
bonds (distance) P-C4' energy: -128.881
flat angles C4'-P-C4' energy: -133.616
flat angles P-C4'-P energy: -89.315
tors. eta vs tors. theta energy: -160.374
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: 2, replica: 9
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -2070.660670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.660670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.660670 (E_RNA)
where:
Base-Base interactions energy: -1460.384
where: short stacking energy: -590.346
Base-Backbone interact. energy: 2.499
local terms energy: -612.775097
where:
bonds (distance) C4'-P energy: -109.237
bonds (distance) P-C4' energy: -105.476
flat angles C4'-P-C4' energy: -136.407
flat angles P-C4'-P energy: -90.041
tors. eta vs tors. theta energy: -171.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1922.556301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.556301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.556301 (E_RNA)
where:
Base-Base interactions energy: -1352.249
where: short stacking energy: -551.601
Base-Backbone interact. energy: -2.383
local terms energy: -567.924624
where:
bonds (distance) C4'-P energy: -116.649
bonds (distance) P-C4' energy: -97.256
flat angles C4'-P-C4' energy: -119.081
flat angles P-C4'-P energy: -76.707
tors. eta vs tors. theta energy: -158.231
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: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1749.915016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.915016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.915016 (E_RNA)
where:
Base-Base interactions energy: -1199.558
where: short stacking energy: -526.806
Base-Backbone interact. energy: 0.089
local terms energy: -550.446195
where:
bonds (distance) C4'-P energy: -100.787
bonds (distance) P-C4' energy: -100.435
flat angles C4'-P-C4' energy: -117.548
flat angles P-C4'-P energy: -78.721
tors. eta vs tors. theta energy: -152.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -1688.788441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.788441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.788441 (E_RNA)
where:
Base-Base interactions energy: -1152.108
where: short stacking energy: -484.643
Base-Backbone interact. energy: -1.883
local terms energy: -534.797549
where:
bonds (distance) C4'-P energy: -93.284
bonds (distance) P-C4' energy: -114.948
flat angles C4'-P-C4' energy: -122.463
flat angles P-C4'-P energy: -73.800
tors. eta vs tors. theta energy: -130.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1449.219668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.219668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.219668 (E_RNA)
where:
Base-Base interactions energy: -992.241
where: short stacking energy: -422.392
Base-Backbone interact. energy: 0.230
local terms energy: -457.208831
where:
bonds (distance) C4'-P energy: -93.885
bonds (distance) P-C4' energy: -81.293
flat angles C4'-P-C4' energy: -101.169
flat angles P-C4'-P energy: -88.818
tors. eta vs tors. theta energy: -92.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1277.892118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.892118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.892118 (E_RNA)
where:
Base-Base interactions energy: -819.413
where: short stacking energy: -381.233
Base-Backbone interact. energy: -4.141
local terms energy: -454.338718
where:
bonds (distance) C4'-P energy: -89.094
bonds (distance) P-C4' energy: -101.978
flat angles C4'-P-C4' energy: -112.730
flat angles P-C4'-P energy: -59.467
tors. eta vs tors. theta energy: -91.070
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: 8, replica: 10
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -982.503556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.503556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.503556 (E_RNA)
where:
Base-Base interactions energy: -573.366
where: short stacking energy: -294.881
Base-Backbone interact. energy: -0.142
local terms energy: -408.995651
where:
bonds (distance) C4'-P energy: -97.502
bonds (distance) P-C4' energy: -98.250
flat angles C4'-P-C4' energy: -99.803
flat angles P-C4'-P energy: -60.491
tors. eta vs tors. theta energy: -52.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -955.558325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.558325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.558325 (E_RNA)
where:
Base-Base interactions energy: -585.926
where: short stacking energy: -276.005
Base-Backbone interact. energy: 0.588
local terms energy: -370.220999
where:
bonds (distance) C4'-P energy: -83.590
bonds (distance) P-C4' energy: -90.013
flat angles C4'-P-C4' energy: -88.139
flat angles P-C4'-P energy: -71.388
tors. eta vs tors. theta energy: -37.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -480.431118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.431118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.431118 (E_RNA)
where:
Base-Base interactions energy: -192.047
where: short stacking energy: -133.578
Base-Backbone interact. energy: 2.314
local terms energy: -290.698797
where:
bonds (distance) C4'-P energy: -105.148
bonds (distance) P-C4' energy: -92.075
flat angles C4'-P-C4' energy: -76.141
flat angles P-C4'-P energy: -27.291
tors. eta vs tors. theta energy: 9.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -2066.095925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.095925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.095925 (E_RNA)
where:
Base-Base interactions energy: -1441.173
where: short stacking energy: -589.462
Base-Backbone interact. energy: -1.253
local terms energy: -623.670683
where:
bonds (distance) C4'-P energy: -110.323
bonds (distance) P-C4' energy: -122.521
flat angles C4'-P-C4' energy: -128.622
flat angles P-C4'-P energy: -94.290
tors. eta vs tors. theta energy: -167.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -2098.922941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.922941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.922941 (E_RNA)
where:
Base-Base interactions energy: -1479.065
where: short stacking energy: -599.891
Base-Backbone interact. energy: 7.580
local terms energy: -627.437732
where:
bonds (distance) C4'-P energy: -111.426
bonds (distance) P-C4' energy: -125.227
flat angles C4'-P-C4' energy: -121.390
flat angles P-C4'-P energy: -96.317
tors. eta vs tors. theta energy: -173.078
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: 7
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1906.505005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.505005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.505005 (E_RNA)
where:
Base-Base interactions energy: -1316.116
where: short stacking energy: -536.533
Base-Backbone interact. energy: -0.917
local terms energy: -589.472594
where:
bonds (distance) C4'-P energy: -111.300
bonds (distance) P-C4' energy: -107.044
flat angles C4'-P-C4' energy: -124.713
flat angles P-C4'-P energy: -91.572
tors. eta vs tors. theta energy: -154.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1739.984985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.984985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.984985 (E_RNA)
where:
Base-Base interactions energy: -1172.266
where: short stacking energy: -513.815
Base-Backbone interact. energy: -2.328
local terms energy: -565.390551
where:
bonds (distance) C4'-P energy: -107.037
bonds (distance) P-C4' energy: -113.030
flat angles C4'-P-C4' energy: -114.694
flat angles P-C4'-P energy: -76.086
tors. eta vs tors. theta energy: -154.544
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: 5
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1728.784343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.784343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.784343 (E_RNA)
where:
Base-Base interactions energy: -1184.641
where: short stacking energy: -501.840
Base-Backbone interact. energy: -2.068
local terms energy: -542.075244
where:
bonds (distance) C4'-P energy: -103.933
bonds (distance) P-C4' energy: -97.716
flat angles C4'-P-C4' energy: -122.243
flat angles P-C4'-P energy: -80.230
tors. eta vs tors. theta energy: -137.954
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: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1498.273619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.273619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.273619 (E_RNA)
where:
Base-Base interactions energy: -1016.014
where: short stacking energy: -435.264
Base-Backbone interact. energy: -1.330
local terms energy: -480.929318
where:
bonds (distance) C4'-P energy: -101.248
bonds (distance) P-C4' energy: -88.574
flat angles C4'-P-C4' energy: -109.639
flat angles P-C4'-P energy: -82.084
tors. eta vs tors. theta energy: -99.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1304.031644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.031644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.031644 (E_RNA)
where:
Base-Base interactions energy: -832.292
where: short stacking energy: -398.969
Base-Backbone interact. energy: -1.538
local terms energy: -470.201973
where:
bonds (distance) C4'-P energy: -90.878
bonds (distance) P-C4' energy: -95.127
flat angles C4'-P-C4' energy: -107.396
flat angles P-C4'-P energy: -68.580
tors. eta vs tors. theta energy: -108.221
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: 10
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -984.466138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.466138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.466138 (E_RNA)
where:
Base-Base interactions energy: -570.206
where: short stacking energy: -268.750
Base-Backbone interact. energy: -3.328
local terms energy: -410.931511
where:
bonds (distance) C4'-P energy: -102.714
bonds (distance) P-C4' energy: -98.610
flat angles C4'-P-C4' energy: -102.372
flat angles P-C4'-P energy: -66.388
tors. eta vs tors. theta energy: -40.848
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: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -940.325688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.325688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.325688 (E_RNA)
where:
Base-Base interactions energy: -597.140
where: short stacking energy: -256.288
Base-Backbone interact. energy: 0.513
local terms energy: -343.698950
where:
bonds (distance) C4'-P energy: -71.034
bonds (distance) P-C4' energy: -93.395
flat angles C4'-P-C4' energy: -92.265
flat angles P-C4'-P energy: -54.934
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: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -447.901520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.901520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.901520 (E_RNA)
where:
Base-Base interactions energy: -165.433
where: short stacking energy: -148.198
Base-Backbone interact. energy: -2.602
local terms energy: -279.865888
where:
bonds (distance) C4'-P energy: -98.384
bonds (distance) P-C4' energy: -96.610
flat angles C4'-P-C4' energy: -72.979
flat angles P-C4'-P energy: -38.879
tors. eta vs tors. theta energy: 26.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -2051.493233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2051.493233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2051.493233 (E_RNA)
where:
Base-Base interactions energy: -1446.713
where: short stacking energy: -571.846
Base-Backbone interact. energy: -1.698
local terms energy: -603.081873
where:
bonds (distance) C4'-P energy: -103.566
bonds (distance) P-C4' energy: -122.741
flat angles C4'-P-C4' energy: -127.651
flat angles P-C4'-P energy: -88.789
tors. eta vs tors. theta energy: -160.335
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: 9
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -2064.352905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.352905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.352905 (E_RNA)
where:
Base-Base interactions energy: -1439.885
where: short stacking energy: -608.781
Base-Backbone interact. energy: -0.846
local terms energy: -623.621875
where:
bonds (distance) C4'-P energy: -115.158
bonds (distance) P-C4' energy: -117.564
flat angles C4'-P-C4' energy: -138.642
flat angles P-C4'-P energy: -76.822
tors. eta vs tors. theta energy: -175.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1860.733032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.733032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.733032 (E_RNA)
where:
Base-Base interactions energy: -1281.179
where: short stacking energy: -544.385
Base-Backbone interact. energy: -5.326
local terms energy: -574.228667
where:
bonds (distance) C4'-P energy: -86.201
bonds (distance) P-C4' energy: -110.208
flat angles C4'-P-C4' energy: -122.132
flat angles P-C4'-P energy: -92.366
tors. eta vs tors. theta energy: -163.322
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: 6
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1769.434753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.434753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.434753 (E_RNA)
where:
Base-Base interactions energy: -1205.393
where: short stacking energy: -498.819
Base-Backbone interact. energy: -2.433
local terms energy: -561.608848
where:
bonds (distance) C4'-P energy: -99.956
bonds (distance) P-C4' energy: -105.605
flat angles C4'-P-C4' energy: -119.106
flat angles P-C4'-P energy: -77.446
tors. eta vs tors. theta energy: -159.497
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: 5
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1741.057572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.057572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.057572 (E_RNA)
where:
Base-Base interactions energy: -1178.117
where: short stacking energy: -503.329
Base-Backbone interact. energy: -1.053
local terms energy: -561.888439
where:
bonds (distance) C4'-P energy: -101.907
bonds (distance) P-C4' energy: -107.056
flat angles C4'-P-C4' energy: -121.929
flat angles P-C4'-P energy: -83.393
tors. eta vs tors. theta energy: -147.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1448.845149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.845149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.845149 (E_RNA)
where:
Base-Base interactions energy: -967.128
where: short stacking energy: -406.646
Base-Backbone interact. energy: -2.478
local terms energy: -479.239715
where:
bonds (distance) C4'-P energy: -98.630
bonds (distance) P-C4' energy: -112.935
flat angles C4'-P-C4' energy: -103.367
flat angles P-C4'-P energy: -72.484
tors. eta vs tors. theta energy: -91.823
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: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1274.694657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.694657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.694657 (E_RNA)
where:
Base-Base interactions energy: -809.038
where: short stacking energy: -394.102
Base-Backbone interact. energy: 1.858
local terms energy: -467.515106
where:
bonds (distance) C4'-P energy: -86.186
bonds (distance) P-C4' energy: -103.028
flat angles C4'-P-C4' energy: -111.046
flat angles P-C4'-P energy: -51.563
tors. eta vs tors. theta energy: -115.692
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: 10
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -994.453406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.453406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.453406 (E_RNA)
where:
Base-Base interactions energy: -597.894
where: short stacking energy: -284.269
Base-Backbone interact. energy: -3.871
local terms energy: -392.688069
where:
bonds (distance) C4'-P energy: -98.654
bonds (distance) P-C4' energy: -77.518
flat angles C4'-P-C4' energy: -90.720
flat angles P-C4'-P energy: -71.312
tors. eta vs tors. theta energy: -54.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -906.225112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.225112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.225112 (E_RNA)
where:
Base-Base interactions energy: -526.055
where: short stacking energy: -258.548
Base-Backbone interact. energy: 3.957
local terms energy: -384.126858
where:
bonds (distance) C4'-P energy: -98.856
bonds (distance) P-C4' energy: -98.934
flat angles C4'-P-C4' energy: -101.961
flat angles P-C4'-P energy: -65.004
tors. eta vs tors. theta energy: -19.372
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: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -573.236151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.236151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.236151 (E_RNA)
where:
Base-Base interactions energy: -279.626
where: short stacking energy: -157.405
Base-Backbone interact. energy: 0.801
local terms energy: -294.411346
where:
bonds (distance) C4'-P energy: -99.755
bonds (distance) P-C4' energy: -88.554
flat angles C4'-P-C4' energy: -77.399
flat angles P-C4'-P energy: -47.119
tors. eta vs tors. theta energy: 18.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -2090.104975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.104975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.104975 (E_RNA)
where:
Base-Base interactions energy: -1473.563
where: short stacking energy: -605.354
Base-Backbone interact. energy: -1.184
local terms energy: -615.358192
where:
bonds (distance) C4'-P energy: -118.437
bonds (distance) P-C4' energy: -98.372
flat angles C4'-P-C4' energy: -135.849
flat angles P-C4'-P energy: -85.865
tors. eta vs tors. theta energy: -176.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -2043.526382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.526382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.526382 (E_RNA)
where:
Base-Base interactions energy: -1459.742
where: short stacking energy: -595.989
Base-Backbone interact. energy: -1.012
local terms energy: -582.772336
where:
bonds (distance) C4'-P energy: -105.718
bonds (distance) P-C4' energy: -103.873
flat angles C4'-P-C4' energy: -128.994
flat angles P-C4'-P energy: -71.820
tors. eta vs tors. theta energy: -172.369
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: 7
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1931.210478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.210478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.210478 (E_RNA)
where:
Base-Base interactions energy: -1318.847
where: short stacking energy: -548.799
Base-Backbone interact. energy: 0.610
local terms energy: -612.973481
where:
bonds (distance) C4'-P energy: -111.564
bonds (distance) P-C4' energy: -121.672
flat angles C4'-P-C4' energy: -135.954
flat angles P-C4'-P energy: -67.067
tors. eta vs tors. theta energy: -176.716
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: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1798.777367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.777367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.777367 (E_RNA)
where:
Base-Base interactions energy: -1231.288
where: short stacking energy: -504.230
Base-Backbone interact. energy: 0.727
local terms energy: -568.216635
where:
bonds (distance) C4'-P energy: -107.758
bonds (distance) P-C4' energy: -115.463
flat angles C4'-P-C4' energy: -118.674
flat angles P-C4'-P energy: -73.098
tors. eta vs tors. theta energy: -153.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1726.489719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.489719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.489719 (E_RNA)
where:
Base-Base interactions energy: -1179.796
where: short stacking energy: -491.029
Base-Backbone interact. energy: -3.031
local terms energy: -543.662798
where:
bonds (distance) C4'-P energy: -107.854
bonds (distance) P-C4' energy: -103.871
flat angles C4'-P-C4' energy: -119.274
flat angles P-C4'-P energy: -72.161
tors. eta vs tors. theta energy: -140.503
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: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1423.647183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.647183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.647183 (E_RNA)
where:
Base-Base interactions energy: -958.069
where: short stacking energy: -411.806
Base-Backbone interact. energy: -3.832
local terms energy: -461.745496
where:
bonds (distance) C4'-P energy: -100.382
bonds (distance) P-C4' energy: -99.341
flat angles C4'-P-C4' energy: -110.686
flat angles P-C4'-P energy: -55.707
tors. eta vs tors. theta energy: -95.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1223.276536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.276536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.276536 (E_RNA)
where:
Base-Base interactions energy: -765.500
where: short stacking energy: -382.934
Base-Backbone interact. energy: 2.738
local terms energy: -460.514354
where:
bonds (distance) C4'-P energy: -91.685
bonds (distance) P-C4' energy: -119.172
flat angles C4'-P-C4' energy: -93.803
flat angles P-C4'-P energy: -67.084
tors. eta vs tors. theta energy: -88.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -990.439601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.439601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.439601 (E_RNA)
where:
Base-Base interactions energy: -624.837
where: short stacking energy: -275.010
Base-Backbone interact. energy: -0.778
local terms energy: -364.825240
where:
bonds (distance) C4'-P energy: -73.684
bonds (distance) P-C4' energy: -106.993
flat angles C4'-P-C4' energy: -91.742
flat angles P-C4'-P energy: -55.312
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: 4
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -887.158867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.158867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.158867 (E_RNA)
where:
Base-Base interactions energy: -523.392
where: short stacking energy: -245.885
Base-Backbone interact. energy: -0.648
local terms energy: -363.119023
where:
bonds (distance) C4'-P energy: -99.031
bonds (distance) P-C4' energy: -95.415
flat angles C4'-P-C4' energy: -95.181
flat angles P-C4'-P energy: -45.035
tors. eta vs tors. theta energy: -28.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -629.390592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.390592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.390592 (E_RNA)
where:
Base-Base interactions energy: -304.989
where: short stacking energy: -163.853
Base-Backbone interact. energy: 4.484
local terms energy: -328.886115
where:
bonds (distance) C4'-P energy: -108.061
bonds (distance) P-C4' energy: -104.922
flat angles C4'-P-C4' energy: -80.241
flat angles P-C4'-P energy: -43.186
tors. eta vs tors. theta energy: 7.524
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: 337
Temperature: 0.900000
Total energy: -2079.429707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2079.429707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2079.429707 (E_RNA)
where:
Base-Base interactions energy: -1475.786
where: short stacking energy: -607.828
Base-Backbone interact. energy: -0.549
local terms energy: -603.094589
where:
bonds (distance) C4'-P energy: -101.486
bonds (distance) P-C4' energy: -117.320
flat angles C4'-P-C4' energy: -121.570
flat angles P-C4'-P energy: -87.381
tors. eta vs tors. theta energy: -175.337
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: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -2021.532236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.532236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.532236 (E_RNA)
where:
Base-Base interactions energy: -1425.269
where: short stacking energy: -559.371
Base-Backbone interact. energy: -3.962
local terms energy: -592.302115
where:
bonds (distance) C4'-P energy: -102.197
bonds (distance) P-C4' energy: -113.978
flat angles C4'-P-C4' energy: -124.987
flat angles P-C4'-P energy: -79.961
tors. eta vs tors. theta energy: -171.179
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: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1919.413577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.413577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.413577 (E_RNA)
where:
Base-Base interactions energy: -1327.577
where: short stacking energy: -574.000
Base-Backbone interact. energy: -1.834
local terms energy: -590.002356
where:
bonds (distance) C4'-P energy: -103.070
bonds (distance) P-C4' energy: -116.160
flat angles C4'-P-C4' energy: -119.350
flat angles P-C4'-P energy: -79.327
tors. eta vs tors. theta energy: -172.095
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: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1801.682368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.682368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.682368 (E_RNA)
where:
Base-Base interactions energy: -1216.266
where: short stacking energy: -544.020
Base-Backbone interact. energy: 0.755
local terms energy: -586.171027
where:
bonds (distance) C4'-P energy: -108.190
bonds (distance) P-C4' energy: -105.822
flat angles C4'-P-C4' energy: -122.517
flat angles P-C4'-P energy: -80.221
tors. eta vs tors. theta energy: -169.422
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: 5
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1740.130808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.130808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.130808 (E_RNA)
where:
Base-Base interactions energy: -1201.785
where: short stacking energy: -497.551
Base-Backbone interact. energy: -2.712
local terms energy: -535.633345
where:
bonds (distance) C4'-P energy: -106.289
bonds (distance) P-C4' energy: -96.108
flat angles C4'-P-C4' energy: -122.517
flat angles P-C4'-P energy: -66.447
tors. eta vs tors. theta energy: -144.272
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: 1
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1460.522524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.522524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.522524 (E_RNA)
where:
Base-Base interactions energy: -982.331
where: short stacking energy: -391.237
Base-Backbone interact. energy: 1.617
local terms energy: -479.808648
where:
bonds (distance) C4'-P energy: -93.586
bonds (distance) P-C4' energy: -112.687
flat angles C4'-P-C4' energy: -111.351
flat angles P-C4'-P energy: -67.418
tors. eta vs tors. theta energy: -94.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1215.820670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.820670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.820670 (E_RNA)
where:
Base-Base interactions energy: -769.523
where: short stacking energy: -383.388
Base-Backbone interact. energy: 1.106
local terms energy: -447.404148
where:
bonds (distance) C4'-P energy: -92.581
bonds (distance) P-C4' energy: -102.131
flat angles C4'-P-C4' energy: -95.011
flat angles P-C4'-P energy: -68.061
tors. eta vs tors. theta energy: -89.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -982.774329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.774329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.774329 (E_RNA)
where:
Base-Base interactions energy: -593.195
where: short stacking energy: -253.104
Base-Backbone interact. energy: -1.281
local terms energy: -388.297622
where:
bonds (distance) C4'-P energy: -85.528
bonds (distance) P-C4' energy: -95.945
flat angles C4'-P-C4' energy: -118.182
flat angles P-C4'-P energy: -56.548
tors. eta vs tors. theta energy: -32.094
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: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -911.667579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.667579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.667579 (E_RNA)
where:
Base-Base interactions energy: -556.379
where: short stacking energy: -259.718
Base-Backbone interact. energy: -0.728
local terms energy: -354.561035
where:
bonds (distance) C4'-P energy: -86.511
bonds (distance) P-C4' energy: -102.264
flat angles C4'-P-C4' energy: -81.682
flat angles P-C4'-P energy: -55.537
tors. eta vs tors. theta energy: -28.567
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: 2
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -588.380546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.380546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.380546 (E_RNA)
where:
Base-Base interactions energy: -271.170
where: short stacking energy: -157.135
Base-Backbone interact. energy: -1.309
local terms energy: -315.901016
where:
bonds (distance) C4'-P energy: -97.541
bonds (distance) P-C4' energy: -96.720
flat angles C4'-P-C4' energy: -89.998
flat angles P-C4'-P energy: -42.463
tors. eta vs tors. theta energy: 10.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -2100.648436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.648436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.648436 (E_RNA)
where:
Base-Base interactions energy: -1481.076
where: short stacking energy: -617.063
Base-Backbone interact. energy: -3.362
local terms energy: -616.210557
where:
bonds (distance) C4'-P energy: -118.973
bonds (distance) P-C4' energy: -116.438
flat angles C4'-P-C4' energy: -131.171
flat angles P-C4'-P energy: -77.848
tors. eta vs tors. theta energy: -171.780
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: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -2009.580320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.580320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.580320 (E_RNA)
where:
Base-Base interactions energy: -1439.511
where: short stacking energy: -563.096
Base-Backbone interact. energy: -2.099
local terms energy: -567.970112
where:
bonds (distance) C4'-P energy: -111.915
bonds (distance) P-C4' energy: -110.403
flat angles C4'-P-C4' energy: -126.560
flat angles P-C4'-P energy: -56.419
tors. eta vs tors. theta energy: -162.673
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: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1902.137084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.137084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.137084 (E_RNA)
where:
Base-Base interactions energy: -1287.899
where: short stacking energy: -528.790
Base-Backbone interact. energy: -1.853
local terms energy: -612.384838
where:
bonds (distance) C4'-P energy: -115.065
bonds (distance) P-C4' energy: -119.605
flat angles C4'-P-C4' energy: -136.923
flat angles P-C4'-P energy: -85.900
tors. eta vs tors. theta energy: -154.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1813.614739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.614739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.614739 (E_RNA)
where:
Base-Base interactions energy: -1285.511
where: short stacking energy: -521.524
Base-Backbone interact. energy: -3.196
local terms energy: -524.908589
where:
bonds (distance) C4'-P energy: -96.608
bonds (distance) P-C4' energy: -100.759
flat angles C4'-P-C4' energy: -104.363
flat angles P-C4'-P energy: -80.938
tors. eta vs tors. theta energy: -142.240
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: 5, replica: 5
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1751.740142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.740142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.740142 (E_RNA)
where:
Base-Base interactions energy: -1183.694
where: short stacking energy: -516.453
Base-Backbone interact. energy: 1.061
local terms energy: -569.107945
where:
bonds (distance) C4'-P energy: -105.059
bonds (distance) P-C4' energy: -108.904
flat angles C4'-P-C4' energy: -120.653
flat angles P-C4'-P energy: -86.198
tors. eta vs tors. theta energy: -148.294
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: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1450.835223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.835223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.835223 (E_RNA)
where:
Base-Base interactions energy: -976.105
where: short stacking energy: -431.913
Base-Backbone interact. energy: -1.195
local terms energy: -473.534787
where:
bonds (distance) C4'-P energy: -87.933
bonds (distance) P-C4' energy: -100.983
flat angles C4'-P-C4' energy: -111.722
flat angles P-C4'-P energy: -73.287
tors. eta vs tors. theta energy: -99.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1180.865092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.865092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.865092 (E_RNA)
where:
Base-Base interactions energy: -733.142
where: short stacking energy: -374.750
Base-Backbone interact. energy: -0.291
local terms energy: -447.431848
where:
bonds (distance) C4'-P energy: -94.115
bonds (distance) P-C4' energy: -93.127
flat angles C4'-P-C4' energy: -95.088
flat angles P-C4'-P energy: -80.654
tors. eta vs tors. theta energy: -84.448
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: 10
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -956.180583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.180583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.180583 (E_RNA)
where:
Base-Base interactions energy: -587.178
where: short stacking energy: -261.814
Base-Backbone interact. energy: -5.203
local terms energy: -363.799737
where:
bonds (distance) C4'-P energy: -98.129
bonds (distance) P-C4' energy: -86.525
flat angles C4'-P-C4' energy: -82.209
flat angles P-C4'-P energy: -57.344
tors. eta vs tors. theta energy: -39.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -871.007011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.007011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.007011 (E_RNA)
where:
Base-Base interactions energy: -498.601
where: short stacking energy: -239.450
Base-Backbone interact. energy: -0.171
local terms energy: -372.234594
where:
bonds (distance) C4'-P energy: -101.530
bonds (distance) P-C4' energy: -101.376
flat angles C4'-P-C4' energy: -89.452
flat angles P-C4'-P energy: -53.279
tors. eta vs tors. theta energy: -26.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -535.959929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.959929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.959929 (E_RNA)
where:
Base-Base interactions energy: -233.367
where: short stacking energy: -138.689
Base-Backbone interact. energy: -2.392
local terms energy: -300.200469
where:
bonds (distance) C4'-P energy: -106.090
bonds (distance) P-C4' energy: -88.068
flat angles C4'-P-C4' energy: -65.650
flat angles P-C4'-P energy: -53.058
tors. eta vs tors. theta energy: 12.665
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: 1, replica: 9
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -2098.391166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.391166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.391166 (E_RNA)
where:
Base-Base interactions energy: -1460.054
where: short stacking energy: -610.820
Base-Backbone interact. energy: -2.674
local terms energy: -635.662803
where:
bonds (distance) C4'-P energy: -118.010
bonds (distance) P-C4' energy: -115.502
flat angles C4'-P-C4' energy: -142.316
flat angles P-C4'-P energy: -82.046
tors. eta vs tors. theta energy: -177.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -2010.554600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.554600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.554600 (E_RNA)
where:
Base-Base interactions energy: -1404.636
where: short stacking energy: -556.173
Base-Backbone interact. energy: -2.191
local terms energy: -603.728091
where:
bonds (distance) C4'-P energy: -112.191
bonds (distance) P-C4' energy: -112.349
flat angles C4'-P-C4' energy: -128.343
flat angles P-C4'-P energy: -90.209
tors. eta vs tors. theta energy: -160.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1890.342053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.342053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.342053 (E_RNA)
where:
Base-Base interactions energy: -1307.713
where: short stacking energy: -561.275
Base-Backbone interact. energy: -1.977
local terms energy: -580.651936
where:
bonds (distance) C4'-P energy: -106.397
bonds (distance) P-C4' energy: -108.074
flat angles C4'-P-C4' energy: -127.936
flat angles P-C4'-P energy: -77.148
tors. eta vs tors. theta energy: -161.098
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: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1814.967038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.967038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.967038 (E_RNA)
where:
Base-Base interactions energy: -1274.021
where: short stacking energy: -525.069
Base-Backbone interact. energy: -2.286
local terms energy: -538.660822
where:
bonds (distance) C4'-P energy: -107.728
bonds (distance) P-C4' energy: -101.312
flat angles C4'-P-C4' energy: -109.404
flat angles P-C4'-P energy: -72.157
tors. eta vs tors. theta energy: -148.061
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: 5
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1756.132644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.132644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.132644 (E_RNA)
where:
Base-Base interactions energy: -1215.617
where: short stacking energy: -525.928
Base-Backbone interact. energy: 0.097
local terms energy: -540.612391
where:
bonds (distance) C4'-P energy: -97.333
bonds (distance) P-C4' energy: -87.423
flat angles C4'-P-C4' energy: -118.160
flat angles P-C4'-P energy: -86.888
tors. eta vs tors. theta energy: -150.808
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: 339
Temperature: 1.150000
Total energy: -1461.984315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.984315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.984315 (E_RNA)
where:
Base-Base interactions energy: -965.184
where: short stacking energy: -402.134
Base-Backbone interact. energy: 0.679
local terms energy: -497.479206
where:
bonds (distance) C4'-P energy: -101.798
bonds (distance) P-C4' energy: -100.601
flat angles C4'-P-C4' energy: -105.298
flat angles P-C4'-P energy: -86.663
tors. eta vs tors. theta energy: -103.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1243.686255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.686255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.686255 (E_RNA)
where:
Base-Base interactions energy: -790.792
where: short stacking energy: -384.342
Base-Backbone interact. energy: -2.135
local terms energy: -450.759225
where:
bonds (distance) C4'-P energy: -88.817
bonds (distance) P-C4' energy: -97.229
flat angles C4'-P-C4' energy: -107.546
flat angles P-C4'-P energy: -69.129
tors. eta vs tors. theta energy: -88.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -953.579337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.579337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.579337 (E_RNA)
where:
Base-Base interactions energy: -580.466
where: short stacking energy: -283.310
Base-Backbone interact. energy: -1.491
local terms energy: -371.622074
where:
bonds (distance) C4'-P energy: -94.273
bonds (distance) P-C4' energy: -97.695
flat angles C4'-P-C4' energy: -94.201
flat angles P-C4'-P energy: -37.625
tors. eta vs tors. theta energy: -47.828
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: 4
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -884.652467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.652467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.652467 (E_RNA)
where:
Base-Base interactions energy: -490.927
where: short stacking energy: -275.277
Base-Backbone interact. energy: -1.209
local terms energy: -392.516231
where:
bonds (distance) C4'-P energy: -86.343
bonds (distance) P-C4' energy: -105.239
flat angles C4'-P-C4' energy: -109.658
flat angles P-C4'-P energy: -53.033
tors. eta vs tors. theta energy: -38.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -551.659195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.659195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.659195 (E_RNA)
where:
Base-Base interactions energy: -243.872
where: short stacking energy: -148.045
Base-Backbone interact. energy: -1.484
local terms energy: -306.302801
where:
bonds (distance) C4'-P energy: -86.290
bonds (distance) P-C4' energy: -85.826
flat angles C4'-P-C4' energy: -77.178
flat angles P-C4'-P energy: -52.702
tors. eta vs tors. theta energy: -4.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -2100.637652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.637652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.637652 (E_RNA)
where:
Base-Base interactions energy: -1460.307
where: short stacking energy: -587.446
Base-Backbone interact. energy: 0.134
local terms energy: -640.464081
where:
bonds (distance) C4'-P energy: -124.753
bonds (distance) P-C4' energy: -116.444
flat angles C4'-P-C4' energy: -130.262
flat angles P-C4'-P energy: -87.759
tors. eta vs tors. theta energy: -181.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -2033.914265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.914265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.914265 (E_RNA)
where:
Base-Base interactions energy: -1431.300
where: short stacking energy: -577.818
Base-Backbone interact. energy: -0.006
local terms energy: -602.608367
where:
bonds (distance) C4'-P energy: -106.099
bonds (distance) P-C4' energy: -104.636
flat angles C4'-P-C4' energy: -129.533
flat angles P-C4'-P energy: -90.468
tors. eta vs tors. theta energy: -171.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1910.001550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.001550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.001550 (E_RNA)
where:
Base-Base interactions energy: -1326.083
where: short stacking energy: -571.178
Base-Backbone interact. energy: -2.207
local terms energy: -581.711623
where:
bonds (distance) C4'-P energy: -97.852
bonds (distance) P-C4' energy: -115.277
flat angles C4'-P-C4' energy: -124.997
flat angles P-C4'-P energy: -71.651
tors. eta vs tors. theta energy: -171.934
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: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1866.270264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.270264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.270264 (E_RNA)
where:
Base-Base interactions energy: -1293.226
where: short stacking energy: -537.779
Base-Backbone interact. energy: -1.145
local terms energy: -571.898724
where:
bonds (distance) C4'-P energy: -102.691
bonds (distance) P-C4' energy: -119.499
flat angles C4'-P-C4' energy: -111.700
flat angles P-C4'-P energy: -75.305
tors. eta vs tors. theta energy: -162.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1757.832552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.832552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.832552 (E_RNA)
where:
Base-Base interactions energy: -1197.535
where: short stacking energy: -500.251
Base-Backbone interact. energy: -2.886
local terms energy: -557.411297
where:
bonds (distance) C4'-P energy: -99.913
bonds (distance) P-C4' energy: -106.520
flat angles C4'-P-C4' energy: -123.919
flat angles P-C4'-P energy: -77.445
tors. eta vs tors. theta energy: -149.614
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: 6, replica: 1
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1460.811751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.811751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.811751 (E_RNA)
where:
Base-Base interactions energy: -980.110
where: short stacking energy: -430.259
Base-Backbone interact. energy: 2.389
local terms energy: -483.090260
where:
bonds (distance) C4'-P energy: -92.071
bonds (distance) P-C4' energy: -102.644
flat angles C4'-P-C4' energy: -110.239
flat angles P-C4'-P energy: -88.347
tors. eta vs tors. theta energy: -89.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1243.482374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.482374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.482374 (E_RNA)
where:
Base-Base interactions energy: -806.691
where: short stacking energy: -378.804
Base-Backbone interact. energy: -3.503
local terms energy: -433.287651
where:
bonds (distance) C4'-P energy: -89.532
bonds (distance) P-C4' energy: -93.596
flat angles C4'-P-C4' energy: -93.851
flat angles P-C4'-P energy: -68.610
tors. eta vs tors. theta energy: -87.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -984.326513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.326513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.326513 (E_RNA)
where:
Base-Base interactions energy: -607.958
where: short stacking energy: -293.097
Base-Backbone interact. energy: 1.704
local terms energy: -378.072110
where:
bonds (distance) C4'-P energy: -87.904
bonds (distance) P-C4' energy: -81.989
flat angles C4'-P-C4' energy: -88.725
flat angles P-C4'-P energy: -65.679
tors. eta vs tors. theta energy: -53.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -855.312963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.312963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.312963 (E_RNA)
where:
Base-Base interactions energy: -491.647
where: short stacking energy: -250.896
Base-Backbone interact. energy: 1.027
local terms energy: -364.692606
where:
bonds (distance) C4'-P energy: -83.276
bonds (distance) P-C4' energy: -102.837
flat angles C4'-P-C4' energy: -98.933
flat angles P-C4'-P energy: -46.955
tors. eta vs tors. theta energy: -32.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -540.868876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.868876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.868876 (E_RNA)
where:
Base-Base interactions energy: -221.307
where: short stacking energy: -159.817
Base-Backbone interact. energy: -2.753
local terms energy: -316.809098
where:
bonds (distance) C4'-P energy: -105.261
bonds (distance) P-C4' energy: -88.948
flat angles C4'-P-C4' energy: -77.932
flat angles P-C4'-P energy: -44.826
tors. eta vs tors. theta energy: 0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -2087.632615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.632615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.632615 (E_RNA)
where:
Base-Base interactions energy: -1457.493
where: short stacking energy: -597.511
Base-Backbone interact. energy: -2.160
local terms energy: -627.979552
where:
bonds (distance) C4'-P energy: -106.311
bonds (distance) P-C4' energy: -125.848
flat angles C4'-P-C4' energy: -123.523
flat angles P-C4'-P energy: -90.446
tors. eta vs tors. theta energy: -181.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -2025.488462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.488462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.488462 (E_RNA)
where:
Base-Base interactions energy: -1415.350
where: short stacking energy: -569.931
Base-Backbone interact. energy: -2.147
local terms energy: -607.992003
where:
bonds (distance) C4'-P energy: -111.250
bonds (distance) P-C4' energy: -113.925
flat angles C4'-P-C4' energy: -131.834
flat angles P-C4'-P energy: -81.429
tors. eta vs tors. theta energy: -169.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1908.016138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.016138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.016138 (E_RNA)
where:
Base-Base interactions energy: -1321.610
where: short stacking energy: -528.016
Base-Backbone interact. energy: 2.867
local terms energy: -589.272852
where:
bonds (distance) C4'-P energy: -107.804
bonds (distance) P-C4' energy: -118.489
flat angles C4'-P-C4' energy: -114.856
flat angles P-C4'-P energy: -89.868
tors. eta vs tors. theta energy: -158.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1849.107900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.107900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.107900 (E_RNA)
where:
Base-Base interactions energy: -1291.167
where: short stacking energy: -539.692
Base-Backbone interact. energy: -0.186
local terms energy: -557.754707
where:
bonds (distance) C4'-P energy: -104.814
bonds (distance) P-C4' energy: -110.827
flat angles C4'-P-C4' energy: -113.682
flat angles P-C4'-P energy: -80.304
tors. eta vs tors. theta energy: -148.128
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: 341
Temperature: 1.100000
Total energy: -1807.316818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.316818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.316818 (E_RNA)
where:
Base-Base interactions energy: -1244.575
where: short stacking energy: -516.615
Base-Backbone interact. energy: 2.111
local terms energy: -564.852789
where:
bonds (distance) C4'-P energy: -106.479
bonds (distance) P-C4' energy: -110.151
flat angles C4'-P-C4' energy: -114.373
flat angles P-C4'-P energy: -82.662
tors. eta vs tors. theta energy: -151.187
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: 6, replica: 1
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1469.436267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.436267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.436267 (E_RNA)
where:
Base-Base interactions energy: -994.618
where: short stacking energy: -414.463
Base-Backbone interact. energy: 0.298
local terms energy: -475.117000
where:
bonds (distance) C4'-P energy: -109.852
bonds (distance) P-C4' energy: -97.711
flat angles C4'-P-C4' energy: -103.012
flat angles P-C4'-P energy: -68.491
tors. eta vs tors. theta energy: -96.050
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: 3
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1252.412248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.412248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.412248 (E_RNA)
where:
Base-Base interactions energy: -807.513
where: short stacking energy: -365.415
Base-Backbone interact. energy: 1.375
local terms energy: -446.274770
where:
bonds (distance) C4'-P energy: -89.269
bonds (distance) P-C4' energy: -102.315
flat angles C4'-P-C4' energy: -109.405
flat angles P-C4'-P energy: -58.253
tors. eta vs tors. theta energy: -87.032
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: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1075.541290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.541290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.541290 (E_RNA)
where:
Base-Base interactions energy: -649.814
where: short stacking energy: -310.899
Base-Backbone interact. energy: 2.791
local terms energy: -428.518083
where:
bonds (distance) C4'-P energy: -89.807
bonds (distance) P-C4' energy: -113.287
flat angles C4'-P-C4' energy: -106.217
flat angles P-C4'-P energy: -60.037
tors. eta vs tors. theta energy: -59.170
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: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -841.754065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.754065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.754065 (E_RNA)
where:
Base-Base interactions energy: -494.747
where: short stacking energy: -257.550
Base-Backbone interact. energy: 1.757
local terms energy: -348.764059
where:
bonds (distance) C4'-P energy: -80.337
bonds (distance) P-C4' energy: -97.528
flat angles C4'-P-C4' energy: -79.047
flat angles P-C4'-P energy: -71.651
tors. eta vs tors. theta energy: -20.201
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: 2
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -507.005376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.005376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.005376 (E_RNA)
where:
Base-Base interactions energy: -206.254
where: short stacking energy: -127.028
Base-Backbone interact. energy: 0.341
local terms energy: -301.092822
where:
bonds (distance) C4'-P energy: -86.735
bonds (distance) P-C4' energy: -106.282
flat angles C4'-P-C4' energy: -79.070
flat angles P-C4'-P energy: -57.434
tors. eta vs tors. theta energy: 28.428
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: 342
Temperature: 0.900000
Total energy: -2107.322760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.322760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.322760 (E_RNA)
where:
Base-Base interactions energy: -1502.117
where: short stacking energy: -612.730
Base-Backbone interact. energy: -2.518
local terms energy: -602.687835
where:
bonds (distance) C4'-P energy: -89.907
bonds (distance) P-C4' energy: -118.673
flat angles C4'-P-C4' energy: -134.512
flat angles P-C4'-P energy: -79.978
tors. eta vs tors. theta energy: -179.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -2015.993551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.993551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.993551 (E_RNA)
where:
Base-Base interactions energy: -1425.286
where: short stacking energy: -567.203
Base-Backbone interact. energy: -1.696
local terms energy: -589.011551
where:
bonds (distance) C4'-P energy: -102.149
bonds (distance) P-C4' energy: -96.679
flat angles C4'-P-C4' energy: -133.979
flat angles P-C4'-P energy: -100.414
tors. eta vs tors. theta energy: -155.790
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: 7
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1925.064194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.064194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.064194 (E_RNA)
where:
Base-Base interactions energy: -1321.100
where: short stacking energy: -532.273
Base-Backbone interact. energy: 0.850
local terms energy: -604.814512
where:
bonds (distance) C4'-P energy: -116.706
bonds (distance) P-C4' energy: -112.139
flat angles C4'-P-C4' energy: -124.895
flat angles P-C4'-P energy: -93.877
tors. eta vs tors. theta energy: -157.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1853.320761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.320761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.320761 (E_RNA)
where:
Base-Base interactions energy: -1268.847
where: short stacking energy: -552.596
Base-Backbone interact. energy: -0.267
local terms energy: -584.207006
where:
bonds (distance) C4'-P energy: -107.066
bonds (distance) P-C4' energy: -109.137
flat angles C4'-P-C4' energy: -125.137
flat angles P-C4'-P energy: -78.381
tors. eta vs tors. theta energy: -164.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1745.306394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.306394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.306394 (E_RNA)
where:
Base-Base interactions energy: -1207.815
where: short stacking energy: -503.239
Base-Backbone interact. energy: -0.111
local terms energy: -537.380434
where:
bonds (distance) C4'-P energy: -112.221
bonds (distance) P-C4' energy: -106.862
flat angles C4'-P-C4' energy: -109.727
flat angles P-C4'-P energy: -69.249
tors. eta vs tors. theta energy: -139.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1447.520432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.520432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.520432 (E_RNA)
where:
Base-Base interactions energy: -949.802
where: short stacking energy: -421.416
Base-Backbone interact. energy: -1.850
local terms energy: -495.868445
where:
bonds (distance) C4'-P energy: -102.846
bonds (distance) P-C4' energy: -103.414
flat angles C4'-P-C4' energy: -105.538
flat angles P-C4'-P energy: -76.919
tors. eta vs tors. theta energy: -107.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1210.245621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.245621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.245621 (E_RNA)
where:
Base-Base interactions energy: -749.910
where: short stacking energy: -362.165
Base-Backbone interact. energy: -1.191
local terms energy: -459.144419
where:
bonds (distance) C4'-P energy: -104.316
bonds (distance) P-C4' energy: -90.124
flat angles C4'-P-C4' energy: -103.818
flat angles P-C4'-P energy: -68.322
tors. eta vs tors. theta energy: -92.564
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: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1043.845404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.845404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.845404 (E_RNA)
where:
Base-Base interactions energy: -630.323
where: short stacking energy: -312.118
Base-Backbone interact. energy: -2.549
local terms energy: -410.973831
where:
bonds (distance) C4'-P energy: -108.606
bonds (distance) P-C4' energy: -96.594
flat angles C4'-P-C4' energy: -99.728
flat angles P-C4'-P energy: -58.744
tors. eta vs tors. theta energy: -47.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -834.284246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.284246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.284246 (E_RNA)
where:
Base-Base interactions energy: -470.311
where: short stacking energy: -252.078
Base-Backbone interact. energy: 0.514
local terms energy: -364.486573
where:
bonds (distance) C4'-P energy: -94.791
bonds (distance) P-C4' energy: -101.474
flat angles C4'-P-C4' energy: -103.269
flat angles P-C4'-P energy: -46.075
tors. eta vs tors. theta energy: -18.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -506.051922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.051922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.051922 (E_RNA)
where:
Base-Base interactions energy: -204.320
where: short stacking energy: -118.324
Base-Backbone interact. energy: -1.461
local terms energy: -300.270590
where:
bonds (distance) C4'-P energy: -83.345
bonds (distance) P-C4' energy: -100.687
flat angles C4'-P-C4' energy: -84.199
flat angles P-C4'-P energy: -54.143
tors. eta vs tors. theta energy: 22.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -2094.520305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.520305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.520305 (E_RNA)
where:
Base-Base interactions energy: -1455.246
where: short stacking energy: -607.374
Base-Backbone interact. energy: 1.998
local terms energy: -641.272749
where:
bonds (distance) C4'-P energy: -115.620
bonds (distance) P-C4' energy: -114.164
flat angles C4'-P-C4' energy: -144.155
flat angles P-C4'-P energy: -92.635
tors. eta vs tors. theta energy: -174.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -2008.205500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.205500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.205500 (E_RNA)
where:
Base-Base interactions energy: -1402.217
where: short stacking energy: -550.572
Base-Backbone interact. energy: 2.941
local terms energy: -608.929177
where:
bonds (distance) C4'-P energy: -114.110
bonds (distance) P-C4' energy: -120.092
flat angles C4'-P-C4' energy: -139.057
flat angles P-C4'-P energy: -82.947
tors. eta vs tors. theta energy: -152.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1935.343624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.343624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.343624 (E_RNA)
where:
Base-Base interactions energy: -1356.496
where: short stacking energy: -563.498
Base-Backbone interact. energy: -3.850
local terms energy: -574.997459
where:
bonds (distance) C4'-P energy: -97.676
bonds (distance) P-C4' energy: -111.979
flat angles C4'-P-C4' energy: -133.398
flat angles P-C4'-P energy: -68.023
tors. eta vs tors. theta energy: -163.922
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: 6
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1850.040206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.040206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.040206 (E_RNA)
where:
Base-Base interactions energy: -1288.678
where: short stacking energy: -557.662
Base-Backbone interact. energy: 0.092
local terms energy: -561.454314
where:
bonds (distance) C4'-P energy: -101.783
bonds (distance) P-C4' energy: -117.802
flat angles C4'-P-C4' energy: -122.752
flat angles P-C4'-P energy: -56.513
tors. eta vs tors. theta energy: -162.605
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: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1716.920409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.920409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.920409 (E_RNA)
where:
Base-Base interactions energy: -1154.236
where: short stacking energy: -502.869
Base-Backbone interact. energy: -0.173
local terms energy: -562.511179
where:
bonds (distance) C4'-P energy: -109.252
bonds (distance) P-C4' energy: -104.406
flat angles C4'-P-C4' energy: -120.446
flat angles P-C4'-P energy: -83.120
tors. eta vs tors. theta energy: -145.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1466.115544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.115544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.115544 (E_RNA)
where:
Base-Base interactions energy: -978.085
where: short stacking energy: -431.208
Base-Backbone interact. energy: 1.347
local terms energy: -489.376714
where:
bonds (distance) C4'-P energy: -88.405
bonds (distance) P-C4' energy: -101.561
flat angles C4'-P-C4' energy: -107.844
flat angles P-C4'-P energy: -75.942
tors. eta vs tors. theta energy: -115.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1216.244726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.244726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.244726 (E_RNA)
where:
Base-Base interactions energy: -772.091
where: short stacking energy: -382.338
Base-Backbone interact. energy: 1.819
local terms energy: -445.972730
where:
bonds (distance) C4'-P energy: -87.018
bonds (distance) P-C4' energy: -100.177
flat angles C4'-P-C4' energy: -112.771
flat angles P-C4'-P energy: -59.303
tors. eta vs tors. theta energy: -86.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -995.658615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.658615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.658615 (E_RNA)
where:
Base-Base interactions energy: -602.482
where: short stacking energy: -295.493
Base-Backbone interact. energy: 0.474
local terms energy: -393.650113
where:
bonds (distance) C4'-P energy: -104.993
bonds (distance) P-C4' energy: -93.201
flat angles C4'-P-C4' energy: -88.464
flat angles P-C4'-P energy: -47.862
tors. eta vs tors. theta energy: -59.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -808.785072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.785072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.785072 (E_RNA)
where:
Base-Base interactions energy: -439.719
where: short stacking energy: -223.714
Base-Backbone interact. energy: 0.384
local terms energy: -369.450681
where:
bonds (distance) C4'-P energy: -106.710
bonds (distance) P-C4' energy: -98.136
flat angles C4'-P-C4' energy: -88.177
flat angles P-C4'-P energy: -59.701
tors. eta vs tors. theta energy: -16.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -521.906579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.906579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.906579 (E_RNA)
where:
Base-Base interactions energy: -215.368
where: short stacking energy: -127.295
Base-Backbone interact. energy: -3.306
local terms energy: -303.232833
where:
bonds (distance) C4'-P energy: -86.672
bonds (distance) P-C4' energy: -98.542
flat angles C4'-P-C4' energy: -99.667
flat angles P-C4'-P energy: -47.307
tors. eta vs tors. theta energy: 28.956
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: 344
Temperature: 0.900000
Total energy: -2102.944040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.944040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.944040 (E_RNA)
where:
Base-Base interactions energy: -1485.078
where: short stacking energy: -616.644
Base-Backbone interact. energy: 1.894
local terms energy: -619.760361
where:
bonds (distance) C4'-P energy: -114.692
bonds (distance) P-C4' energy: -119.257
flat angles C4'-P-C4' energy: -139.274
flat angles P-C4'-P energy: -68.938
tors. eta vs tors. theta energy: -177.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -2046.001034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.001034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.001034 (E_RNA)
where:
Base-Base interactions energy: -1441.785
where: short stacking energy: -584.348
Base-Backbone interact. energy: -4.888
local terms energy: -599.328005
where:
bonds (distance) C4'-P energy: -85.094
bonds (distance) P-C4' energy: -134.589
flat angles C4'-P-C4' energy: -123.973
flat angles P-C4'-P energy: -83.966
tors. eta vs tors. theta energy: -171.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1948.440527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.440527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.440527 (E_RNA)
where:
Base-Base interactions energy: -1336.760
where: short stacking energy: -585.025
Base-Backbone interact. energy: -0.326
local terms energy: -611.355157
where:
bonds (distance) C4'-P energy: -113.835
bonds (distance) P-C4' energy: -115.018
flat angles C4'-P-C4' energy: -123.370
flat angles P-C4'-P energy: -90.378
tors. eta vs tors. theta energy: -168.753
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: 6
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1864.545210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.545210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.545210 (E_RNA)
where:
Base-Base interactions energy: -1287.108
where: short stacking energy: -551.965
Base-Backbone interact. energy: 1.730
local terms energy: -579.166715
where:
bonds (distance) C4'-P energy: -109.527
bonds (distance) P-C4' energy: -110.956
flat angles C4'-P-C4' energy: -113.899
flat angles P-C4'-P energy: -84.614
tors. eta vs tors. theta energy: -160.171
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: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1756.596230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.596230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.596230 (E_RNA)
where:
Base-Base interactions energy: -1186.999
where: short stacking energy: -500.310
Base-Backbone interact. energy: -0.551
local terms energy: -569.046521
where:
bonds (distance) C4'-P energy: -129.018
bonds (distance) P-C4' energy: -101.450
flat angles C4'-P-C4' energy: -120.148
flat angles P-C4'-P energy: -68.123
tors. eta vs tors. theta energy: -150.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1435.240960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.240960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.240960 (E_RNA)
where:
Base-Base interactions energy: -950.940
where: short stacking energy: -392.518
Base-Backbone interact. energy: -3.967
local terms energy: -480.333783
where:
bonds (distance) C4'-P energy: -101.774
bonds (distance) P-C4' energy: -106.426
flat angles C4'-P-C4' energy: -116.499
flat angles P-C4'-P energy: -60.600
tors. eta vs tors. theta energy: -95.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1198.646645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1198.646645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1198.646645 (E_RNA)
where:
Base-Base interactions energy: -789.018
where: short stacking energy: -347.719
Base-Backbone interact. energy: -0.057
local terms energy: -409.571410
where:
bonds (distance) C4'-P energy: -89.141
bonds (distance) P-C4' energy: -95.814
flat angles C4'-P-C4' energy: -108.991
flat angles P-C4'-P energy: -46.596
tors. eta vs tors. theta energy: -69.029
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: 8, replica: 10
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -982.212242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.212242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.212242 (E_RNA)
where:
Base-Base interactions energy: -589.556
where: short stacking energy: -281.721
Base-Backbone interact. energy: -1.227
local terms energy: -391.428460
where:
bonds (distance) C4'-P energy: -114.356
bonds (distance) P-C4' energy: -84.960
flat angles C4'-P-C4' energy: -86.174
flat angles P-C4'-P energy: -66.706
tors. eta vs tors. theta energy: -39.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -835.874686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.874686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.874686 (E_RNA)
where:
Base-Base interactions energy: -483.264
where: short stacking energy: -248.739
Base-Backbone interact. energy: 4.194
local terms energy: -356.804598
where:
bonds (distance) C4'-P energy: -96.878
bonds (distance) P-C4' energy: -102.160
flat angles C4'-P-C4' energy: -88.213
flat angles P-C4'-P energy: -48.741
tors. eta vs tors. theta energy: -20.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -448.866576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.866576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.866576 (E_RNA)
where:
Base-Base interactions energy: -166.246
where: short stacking energy: -135.210
Base-Backbone interact. energy: -0.812
local terms energy: -281.809214
where:
bonds (distance) C4'-P energy: -96.812
bonds (distance) P-C4' energy: -85.596
flat angles C4'-P-C4' energy: -79.029
flat angles P-C4'-P energy: -52.206
tors. eta vs tors. theta energy: 31.834
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: 9
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -2110.099844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.099844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.099844 (E_RNA)
where:
Base-Base interactions energy: -1493.155
where: short stacking energy: -609.132
Base-Backbone interact. energy: -1.589
local terms energy: -615.355511
where:
bonds (distance) C4'-P energy: -117.344
bonds (distance) P-C4' energy: -109.720
flat angles C4'-P-C4' energy: -131.381
flat angles P-C4'-P energy: -80.623
tors. eta vs tors. theta energy: -176.289
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: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -2015.554224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.554224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.554224 (E_RNA)
where:
Base-Base interactions energy: -1429.386
where: short stacking energy: -577.634
Base-Backbone interact. energy: -0.894
local terms energy: -585.274704
where:
bonds (distance) C4'-P energy: -107.739
bonds (distance) P-C4' energy: -113.669
flat angles C4'-P-C4' energy: -114.018
flat angles P-C4'-P energy: -82.215
tors. eta vs tors. theta energy: -167.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1939.560347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.560347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.560347 (E_RNA)
where:
Base-Base interactions energy: -1348.598
where: short stacking energy: -567.036
Base-Backbone interact. energy: -2.233
local terms energy: -588.729662
where:
bonds (distance) C4'-P energy: -97.106
bonds (distance) P-C4' energy: -117.617
flat angles C4'-P-C4' energy: -128.593
flat angles P-C4'-P energy: -83.886
tors. eta vs tors. theta energy: -161.527
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: 4, replica: 6
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1858.390358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.390358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.390358 (E_RNA)
where:
Base-Base interactions energy: -1273.127
where: short stacking energy: -541.478
Base-Backbone interact. energy: -0.152
local terms energy: -585.111924
where:
bonds (distance) C4'-P energy: -105.303
bonds (distance) P-C4' energy: -108.287
flat angles C4'-P-C4' energy: -123.761
flat angles P-C4'-P energy: -82.224
tors. eta vs tors. theta energy: -165.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1733.385329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.385329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.385329 (E_RNA)
where:
Base-Base interactions energy: -1184.338
where: short stacking energy: -514.020
Base-Backbone interact. energy: -0.238
local terms energy: -548.809455
where:
bonds (distance) C4'-P energy: -96.482
bonds (distance) P-C4' energy: -126.153
flat angles C4'-P-C4' energy: -111.613
flat angles P-C4'-P energy: -72.787
tors. eta vs tors. theta energy: -141.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1459.634980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.634980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.634980 (E_RNA)
where:
Base-Base interactions energy: -955.672
where: short stacking energy: -415.625
Base-Backbone interact. energy: -2.992
local terms energy: -500.970690
where:
bonds (distance) C4'-P energy: -96.184
bonds (distance) P-C4' energy: -101.376
flat angles C4'-P-C4' energy: -112.951
flat angles P-C4'-P energy: -75.541
tors. eta vs tors. theta energy: -114.918
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: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1179.341864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.341864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.341864 (E_RNA)
where:
Base-Base interactions energy: -723.256
where: short stacking energy: -336.124
Base-Backbone interact. energy: -1.875
local terms energy: -454.210661
where:
bonds (distance) C4'-P energy: -120.712
bonds (distance) P-C4' energy: -86.245
flat angles C4'-P-C4' energy: -93.510
flat angles P-C4'-P energy: -66.422
tors. eta vs tors. theta energy: -87.322
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: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1001.554191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.554191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.554191 (E_RNA)
where:
Base-Base interactions energy: -581.069
where: short stacking energy: -301.909
Base-Backbone interact. energy: -0.813
local terms energy: -419.672295
where:
bonds (distance) C4'-P energy: -95.855
bonds (distance) P-C4' energy: -102.509
flat angles C4'-P-C4' energy: -107.309
flat angles P-C4'-P energy: -43.288
tors. eta vs tors. theta energy: -70.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -832.430810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.430810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.430810 (E_RNA)
where:
Base-Base interactions energy: -488.533
where: short stacking energy: -241.276
Base-Backbone interact. energy: -2.575
local terms energy: -341.322770
where:
bonds (distance) C4'-P energy: -90.355
bonds (distance) P-C4' energy: -91.234
flat angles C4'-P-C4' energy: -81.223
flat angles P-C4'-P energy: -54.332
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -450.203174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.203174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.203174 (E_RNA)
where:
Base-Base interactions energy: -163.962
where: short stacking energy: -145.827
Base-Backbone interact. energy: -1.009
local terms energy: -285.232078
where:
bonds (distance) C4'-P energy: -80.185
bonds (distance) P-C4' energy: -94.404
flat angles C4'-P-C4' energy: -85.281
flat angles P-C4'-P energy: -46.956
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: 1, replica: 9
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -2104.394715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.394715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.394715 (E_RNA)
where:
Base-Base interactions energy: -1464.935
where: short stacking energy: -600.017
Base-Backbone interact. energy: -3.135
local terms energy: -636.324583
where:
bonds (distance) C4'-P energy: -105.858
bonds (distance) P-C4' energy: -121.987
flat angles C4'-P-C4' energy: -140.859
flat angles P-C4'-P energy: -92.054
tors. eta vs tors. theta energy: -175.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1996.869125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.869125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.869125 (E_RNA)
where:
Base-Base interactions energy: -1403.576
where: short stacking energy: -552.056
Base-Backbone interact. energy: -2.869
local terms energy: -590.424878
where:
bonds (distance) C4'-P energy: -113.149
bonds (distance) P-C4' energy: -112.640
flat angles C4'-P-C4' energy: -122.027
flat angles P-C4'-P energy: -89.456
tors. eta vs tors. theta energy: -153.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1923.437982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.437982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.437982 (E_RNA)
where:
Base-Base interactions energy: -1310.055
where: short stacking energy: -559.316
Base-Backbone interact. energy: -0.765
local terms energy: -612.617646
where:
bonds (distance) C4'-P energy: -126.939
bonds (distance) P-C4' energy: -105.877
flat angles C4'-P-C4' energy: -131.184
flat angles P-C4'-P energy: -80.554
tors. eta vs tors. theta energy: -168.064
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: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1881.794877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.794877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.794877 (E_RNA)
where:
Base-Base interactions energy: -1282.381
where: short stacking energy: -570.322
Base-Backbone interact. energy: -0.711
local terms energy: -598.702536
where:
bonds (distance) C4'-P energy: -103.472
bonds (distance) P-C4' energy: -118.727
flat angles C4'-P-C4' energy: -119.581
flat angles P-C4'-P energy: -81.503
tors. eta vs tors. theta energy: -175.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1795.968986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.968986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.968986 (E_RNA)
where:
Base-Base interactions energy: -1250.237
where: short stacking energy: -523.066
Base-Backbone interact. energy: 3.978
local terms energy: -549.710258
where:
bonds (distance) C4'-P energy: -109.752
bonds (distance) P-C4' energy: -103.993
flat angles C4'-P-C4' energy: -110.918
flat angles P-C4'-P energy: -70.113
tors. eta vs tors. theta energy: -154.934
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: 346
Temperature: 1.150000
Total energy: -1478.871828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.871828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.871828 (E_RNA)
where:
Base-Base interactions energy: -956.017
where: short stacking energy: -395.652
Base-Backbone interact. energy: -2.063
local terms energy: -520.791689
where:
bonds (distance) C4'-P energy: -108.554
bonds (distance) P-C4' energy: -107.468
flat angles C4'-P-C4' energy: -114.792
flat angles P-C4'-P energy: -78.395
tors. eta vs tors. theta energy: -111.583
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: 346
Temperature: 1.200000
Total energy: -1223.334764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.334764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.334764 (E_RNA)
where:
Base-Base interactions energy: -750.690
where: short stacking energy: -367.603
Base-Backbone interact. energy: 2.416
local terms energy: -475.060806
where:
bonds (distance) C4'-P energy: -100.141
bonds (distance) P-C4' energy: -106.425
flat angles C4'-P-C4' energy: -114.229
flat angles P-C4'-P energy: -59.923
tors. eta vs tors. theta energy: -94.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -967.271356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.271356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.271356 (E_RNA)
where:
Base-Base interactions energy: -579.332
where: short stacking energy: -269.719
Base-Backbone interact. energy: 3.182
local terms energy: -391.120698
where:
bonds (distance) C4'-P energy: -110.882
bonds (distance) P-C4' energy: -99.387
flat angles C4'-P-C4' energy: -87.272
flat angles P-C4'-P energy: -54.240
tors. eta vs tors. theta energy: -39.339
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: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -897.978587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.978587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.978587 (E_RNA)
where:
Base-Base interactions energy: -507.756
where: short stacking energy: -248.874
Base-Backbone interact. energy: -1.097
local terms energy: -389.125439
where:
bonds (distance) C4'-P energy: -93.105
bonds (distance) P-C4' energy: -91.044
flat angles C4'-P-C4' energy: -110.621
flat angles P-C4'-P energy: -52.213
tors. eta vs tors. theta energy: -42.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -446.181673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.181673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.181673 (E_RNA)
where:
Base-Base interactions energy: -154.378
where: short stacking energy: -120.923
Base-Backbone interact. energy: -0.780
local terms energy: -291.024140
where:
bonds (distance) C4'-P energy: -76.879
bonds (distance) P-C4' energy: -103.907
flat angles C4'-P-C4' energy: -78.154
flat angles P-C4'-P energy: -50.231
tors. eta vs tors. theta energy: 18.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -2111.859648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.859648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.859648 (E_RNA)
where:
Base-Base interactions energy: -1476.581
where: short stacking energy: -618.454
Base-Backbone interact. energy: -0.736
local terms energy: -634.542567
where:
bonds (distance) C4'-P energy: -109.287
bonds (distance) P-C4' energy: -120.141
flat angles C4'-P-C4' energy: -139.556
flat angles P-C4'-P energy: -89.731
tors. eta vs tors. theta energy: -175.827
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: 8
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1985.508910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.508910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.508910 (E_RNA)
where:
Base-Base interactions energy: -1391.659
where: short stacking energy: -586.205
Base-Backbone interact. energy: 3.818
local terms energy: -597.667618
where:
bonds (distance) C4'-P energy: -106.319
bonds (distance) P-C4' energy: -114.661
flat angles C4'-P-C4' energy: -122.474
flat angles P-C4'-P energy: -86.028
tors. eta vs tors. theta energy: -168.187
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: 347
Temperature: 1.000000
Total energy: -1931.795408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.795408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.795408 (E_RNA)
where:
Base-Base interactions energy: -1324.133
where: short stacking energy: -544.004
Base-Backbone interact. energy: -2.197
local terms energy: -605.465398
where:
bonds (distance) C4'-P energy: -125.264
bonds (distance) P-C4' energy: -121.991
flat angles C4'-P-C4' energy: -130.555
flat angles P-C4'-P energy: -70.697
tors. eta vs tors. theta energy: -156.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1842.721721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.721721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.721721 (E_RNA)
where:
Base-Base interactions energy: -1258.524
where: short stacking energy: -520.903
Base-Backbone interact. energy: 0.797
local terms energy: -584.994956
where:
bonds (distance) C4'-P energy: -108.535
bonds (distance) P-C4' energy: -107.074
flat angles C4'-P-C4' energy: -137.297
flat angles P-C4'-P energy: -71.539
tors. eta vs tors. theta energy: -160.550
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: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1798.608417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.608417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.608417 (E_RNA)
where:
Base-Base interactions energy: -1219.483
where: short stacking energy: -531.998
Base-Backbone interact. energy: -2.438
local terms energy: -576.687594
where:
bonds (distance) C4'-P energy: -96.005
bonds (distance) P-C4' energy: -112.878
flat angles C4'-P-C4' energy: -120.499
flat angles P-C4'-P energy: -82.077
tors. eta vs tors. theta energy: -165.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1473.535446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.535446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.535446 (E_RNA)
where:
Base-Base interactions energy: -972.310
where: short stacking energy: -423.943
Base-Backbone interact. energy: -4.094
local terms energy: -497.131534
where:
bonds (distance) C4'-P energy: -96.961
bonds (distance) P-C4' energy: -103.973
flat angles C4'-P-C4' energy: -113.337
flat angles P-C4'-P energy: -78.594
tors. eta vs tors. theta energy: -104.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1249.379035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.379035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.379035 (E_RNA)
where:
Base-Base interactions energy: -810.691
where: short stacking energy: -385.773
Base-Backbone interact. energy: -4.005
local terms energy: -434.683276
where:
bonds (distance) C4'-P energy: -79.482
bonds (distance) P-C4' energy: -103.687
flat angles C4'-P-C4' energy: -99.695
flat angles P-C4'-P energy: -70.585
tors. eta vs tors. theta energy: -81.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1023.711008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.711008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.711008 (E_RNA)
where:
Base-Base interactions energy: -602.106
where: short stacking energy: -284.885
Base-Backbone interact. energy: -1.719
local terms energy: -419.886634
where:
bonds (distance) C4'-P energy: -83.835
bonds (distance) P-C4' energy: -102.904
flat angles C4'-P-C4' energy: -99.946
flat angles P-C4'-P energy: -78.156
tors. eta vs tors. theta energy: -55.046
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: 9, replica: 4
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -866.165359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.165359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.165359 (E_RNA)
where:
Base-Base interactions energy: -497.811
where: short stacking energy: -227.492
Base-Backbone interact. energy: 3.689
local terms energy: -372.043435
where:
bonds (distance) C4'-P energy: -89.951
bonds (distance) P-C4' energy: -102.661
flat angles C4'-P-C4' energy: -78.923
flat angles P-C4'-P energy: -77.966
tors. eta vs tors. theta energy: -22.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -462.317354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.317354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.317354 (E_RNA)
where:
Base-Base interactions energy: -175.779
where: short stacking energy: -122.290
Base-Backbone interact. energy: 2.929
local terms energy: -289.467766
where:
bonds (distance) C4'-P energy: -102.794
bonds (distance) P-C4' energy: -83.442
flat angles C4'-P-C4' energy: -80.943
flat angles P-C4'-P energy: -47.773
tors. eta vs tors. theta energy: 25.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -2093.116256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.116256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.116256 (E_RNA)
where:
Base-Base interactions energy: -1446.729
where: short stacking energy: -601.944
Base-Backbone interact. energy: 0.248
local terms energy: -646.635675
where:
bonds (distance) C4'-P energy: -124.515
bonds (distance) P-C4' energy: -115.140
flat angles C4'-P-C4' energy: -133.461
flat angles P-C4'-P energy: -92.400
tors. eta vs tors. theta energy: -181.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -2027.147648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2027.147648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2027.147648 (E_RNA)
where:
Base-Base interactions energy: -1401.501
where: short stacking energy: -558.092
Base-Backbone interact. energy: -4.390
local terms energy: -621.256321
where:
bonds (distance) C4'-P energy: -104.330
bonds (distance) P-C4' energy: -113.707
flat angles C4'-P-C4' energy: -132.097
flat angles P-C4'-P energy: -94.300
tors. eta vs tors. theta energy: -176.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1890.933648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.933648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.933648 (E_RNA)
where:
Base-Base interactions energy: -1321.302
where: short stacking energy: -529.345
Base-Backbone interact. energy: -0.376
local terms energy: -569.255524
where:
bonds (distance) C4'-P energy: -105.353
bonds (distance) P-C4' energy: -113.262
flat angles C4'-P-C4' energy: -124.568
flat angles P-C4'-P energy: -71.871
tors. eta vs tors. theta energy: -154.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1827.294093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.294093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.294093 (E_RNA)
where:
Base-Base interactions energy: -1245.723
where: short stacking energy: -527.564
Base-Backbone interact. energy: -0.501
local terms energy: -581.070590
where:
bonds (distance) C4'-P energy: -101.697
bonds (distance) P-C4' energy: -124.887
flat angles C4'-P-C4' energy: -124.236
flat angles P-C4'-P energy: -82.530
tors. eta vs tors. theta energy: -147.719
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: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1786.490591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.490591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.490591 (E_RNA)
where:
Base-Base interactions energy: -1228.344
where: short stacking energy: -550.449
Base-Backbone interact. energy: -0.925
local terms energy: -557.221480
where:
bonds (distance) C4'-P energy: -100.537
bonds (distance) P-C4' energy: -105.887
flat angles C4'-P-C4' energy: -120.512
flat angles P-C4'-P energy: -74.128
tors. eta vs tors. theta energy: -156.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1478.106184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.106184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.106184 (E_RNA)
where:
Base-Base interactions energy: -1010.877
where: short stacking energy: -445.478
Base-Backbone interact. energy: 4.386
local terms energy: -471.615589
where:
bonds (distance) C4'-P energy: -95.359
bonds (distance) P-C4' energy: -98.733
flat angles C4'-P-C4' energy: -107.097
flat angles P-C4'-P energy: -61.892
tors. eta vs tors. theta energy: -108.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1284.517858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.517858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.517858 (E_RNA)
where:
Base-Base interactions energy: -831.878
where: short stacking energy: -379.275
Base-Backbone interact. energy: 5.289
local terms energy: -457.929405
where:
bonds (distance) C4'-P energy: -116.157
bonds (distance) P-C4' energy: -98.735
flat angles C4'-P-C4' energy: -105.764
flat angles P-C4'-P energy: -61.117
tors. eta vs tors. theta energy: -76.156
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: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -980.496985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.496985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.496985 (E_RNA)
where:
Base-Base interactions energy: -568.343
where: short stacking energy: -274.240
Base-Backbone interact. energy: 1.114
local terms energy: -413.267246
where:
bonds (distance) C4'-P energy: -97.634
bonds (distance) P-C4' energy: -91.681
flat angles C4'-P-C4' energy: -118.718
flat angles P-C4'-P energy: -52.201
tors. eta vs tors. theta energy: -53.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -849.497146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.497146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.497146 (E_RNA)
where:
Base-Base interactions energy: -482.668
where: short stacking energy: -252.993
Base-Backbone interact. energy: 0.184
local terms energy: -367.013608
where:
bonds (distance) C4'-P energy: -107.138
bonds (distance) P-C4' energy: -89.357
flat angles C4'-P-C4' energy: -81.239
flat angles P-C4'-P energy: -55.357
tors. eta vs tors. theta energy: -33.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -480.967183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.967183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.967183 (E_RNA)
where:
Base-Base interactions energy: -177.315
where: short stacking energy: -126.250
Base-Backbone interact. energy: -0.778
local terms energy: -302.873696
where:
bonds (distance) C4'-P energy: -90.750
bonds (distance) P-C4' energy: -106.231
flat angles C4'-P-C4' energy: -88.305
flat angles P-C4'-P energy: -41.341
tors. eta vs tors. theta energy: 23.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -2106.474464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.474464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.474464 (E_RNA)
where:
Base-Base interactions energy: -1466.063
where: short stacking energy: -606.316
Base-Backbone interact. energy: -2.928
local terms energy: -637.484120
where:
bonds (distance) C4'-P energy: -115.328
bonds (distance) P-C4' energy: -118.868
flat angles C4'-P-C4' energy: -134.677
flat angles P-C4'-P energy: -88.736
tors. eta vs tors. theta energy: -179.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1983.913250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.913250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.913250 (E_RNA)
where:
Base-Base interactions energy: -1378.367
where: short stacking energy: -563.348
Base-Backbone interact. energy: 1.819
local terms energy: -607.365473
where:
bonds (distance) C4'-P energy: -112.698
bonds (distance) P-C4' energy: -122.250
flat angles C4'-P-C4' energy: -119.222
flat angles P-C4'-P energy: -91.733
tors. eta vs tors. theta energy: -161.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1987.256029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.256029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.256029 (E_RNA)
where:
Base-Base interactions energy: -1376.348
where: short stacking energy: -541.132
Base-Backbone interact. energy: -3.454
local terms energy: -607.454104
where:
bonds (distance) C4'-P energy: -113.204
bonds (distance) P-C4' energy: -114.883
flat angles C4'-P-C4' energy: -133.909
flat angles P-C4'-P energy: -81.615
tors. eta vs tors. theta energy: -163.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1831.269083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.269083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.269083 (E_RNA)
where:
Base-Base interactions energy: -1266.176
where: short stacking energy: -525.481
Base-Backbone interact. energy: -3.619
local terms energy: -561.473607
where:
bonds (distance) C4'-P energy: -112.910
bonds (distance) P-C4' energy: -108.874
flat angles C4'-P-C4' energy: -109.411
flat angles P-C4'-P energy: -78.416
tors. eta vs tors. theta energy: -151.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1724.064880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.064880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.064880 (E_RNA)
where:
Base-Base interactions energy: -1180.443
where: short stacking energy: -481.705
Base-Backbone interact. energy: 0.717
local terms energy: -544.338258
where:
bonds (distance) C4'-P energy: -105.704
bonds (distance) P-C4' energy: -114.042
flat angles C4'-P-C4' energy: -109.120
flat angles P-C4'-P energy: -71.334
tors. eta vs tors. theta energy: -144.139
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: 349
Temperature: 1.150000
Total energy: -1487.897453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.897453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.897453 (E_RNA)
where:
Base-Base interactions energy: -981.783
where: short stacking energy: -428.385
Base-Backbone interact. energy: 0.380
local terms energy: -506.494104
where:
bonds (distance) C4'-P energy: -96.008
bonds (distance) P-C4' energy: -113.271
flat angles C4'-P-C4' energy: -107.459
flat angles P-C4'-P energy: -76.139
tors. eta vs tors. theta energy: -113.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1237.273940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.273940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.273940 (E_RNA)
where:
Base-Base interactions energy: -794.939
where: short stacking energy: -368.636
Base-Backbone interact. energy: -2.459
local terms energy: -439.876572
where:
bonds (distance) C4'-P energy: -93.944
bonds (distance) P-C4' energy: -86.627
flat angles C4'-P-C4' energy: -107.431
flat angles P-C4'-P energy: -64.737
tors. eta vs tors. theta energy: -87.137
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: 10
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1003.458450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.458450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.458450 (E_RNA)
where:
Base-Base interactions energy: -602.753
where: short stacking energy: -292.400
Base-Backbone interact. energy: 0.017
local terms energy: -400.721671
where:
bonds (distance) C4'-P energy: -85.718
bonds (distance) P-C4' energy: -105.125
flat angles C4'-P-C4' energy: -98.313
flat angles P-C4'-P energy: -74.399
tors. eta vs tors. theta energy: -37.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -834.526197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.526197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.526197 (E_RNA)
where:
Base-Base interactions energy: -450.754
where: short stacking energy: -223.748
Base-Backbone interact. energy: -1.359
local terms energy: -382.413282
where:
bonds (distance) C4'-P energy: -103.029
bonds (distance) P-C4' energy: -98.413
flat angles C4'-P-C4' energy: -107.136
flat angles P-C4'-P energy: -64.798
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -472.472512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.472512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.472512 (E_RNA)
where:
Base-Base interactions energy: -178.338
where: short stacking energy: -121.635
Base-Backbone interact. energy: -0.748
local terms energy: -293.386220
where:
bonds (distance) C4'-P energy: -97.167
bonds (distance) P-C4' energy: -98.923
flat angles C4'-P-C4' energy: -75.355
flat angles P-C4'-P energy: -35.325
tors. eta vs tors. theta energy: 13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -2090.651664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.651664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.651664 (E_RNA)
where:
Base-Base interactions energy: -1450.655
where: short stacking energy: -587.846
Base-Backbone interact. energy: -1.609
local terms energy: -638.387205
where:
bonds (distance) C4'-P energy: -117.527
bonds (distance) P-C4' energy: -122.769
flat angles C4'-P-C4' energy: -132.502
flat angles P-C4'-P energy: -88.167
tors. eta vs tors. theta energy: -177.422
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: 350
Temperature: 0.950000
Total energy: -1983.530988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.530988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.530988 (E_RNA)
where:
Base-Base interactions energy: -1363.810
where: short stacking energy: -553.252
Base-Backbone interact. energy: -3.783
local terms energy: -615.937782
where:
bonds (distance) C4'-P energy: -118.131
bonds (distance) P-C4' energy: -115.480
flat angles C4'-P-C4' energy: -124.924
flat angles P-C4'-P energy: -84.587
tors. eta vs tors. theta energy: -172.816
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: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1976.244734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.244734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.244734 (E_RNA)
where:
Base-Base interactions energy: -1374.245
where: short stacking energy: -525.575
Base-Backbone interact. energy: -0.128
local terms energy: -601.871871
where:
bonds (distance) C4'-P energy: -110.539
bonds (distance) P-C4' energy: -119.493
flat angles C4'-P-C4' energy: -128.187
flat angles P-C4'-P energy: -83.968
tors. eta vs tors. theta energy: -159.685
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: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1857.223663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.223663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.223663 (E_RNA)
where:
Base-Base interactions energy: -1273.434
where: short stacking energy: -540.675
Base-Backbone interact. energy: -0.976
local terms energy: -582.813833
where:
bonds (distance) C4'-P energy: -100.348
bonds (distance) P-C4' energy: -113.711
flat angles C4'-P-C4' energy: -121.902
flat angles P-C4'-P energy: -87.077
tors. eta vs tors. theta energy: -159.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1770.886297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.886297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.886297 (E_RNA)
where:
Base-Base interactions energy: -1221.380
where: short stacking energy: -512.212
Base-Backbone interact. energy: 1.945
local terms energy: -551.450648
where:
bonds (distance) C4'-P energy: -107.694
bonds (distance) P-C4' energy: -98.824
flat angles C4'-P-C4' energy: -129.558
flat angles P-C4'-P energy: -66.153
tors. eta vs tors. theta energy: -149.221
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: 1
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1510.128978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.128978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.128978 (E_RNA)
where:
Base-Base interactions energy: -1003.464
where: short stacking energy: -437.969
Base-Backbone interact. energy: -0.117
local terms energy: -506.547580
where:
bonds (distance) C4'-P energy: -89.212
bonds (distance) P-C4' energy: -103.302
flat angles C4'-P-C4' energy: -117.738
flat angles P-C4'-P energy: -73.384
tors. eta vs tors. theta energy: -122.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1290.306559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.306559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.306559 (E_RNA)
where:
Base-Base interactions energy: -824.657
where: short stacking energy: -394.148
Base-Backbone interact. energy: -0.785
local terms energy: -464.865066
where:
bonds (distance) C4'-P energy: -98.351
bonds (distance) P-C4' energy: -106.163
flat angles C4'-P-C4' energy: -105.889
flat angles P-C4'-P energy: -58.817
tors. eta vs tors. theta energy: -95.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1038.935380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.935380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.935380 (E_RNA)
where:
Base-Base interactions energy: -641.784
where: short stacking energy: -294.183
Base-Backbone interact. energy: -2.738
local terms energy: -394.413852
where:
bonds (distance) C4'-P energy: -97.442
bonds (distance) P-C4' energy: -80.093
flat angles C4'-P-C4' energy: -103.793
flat angles P-C4'-P energy: -65.035
tors. eta vs tors. theta energy: -48.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -857.121200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.121200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.121200 (E_RNA)
where:
Base-Base interactions energy: -492.309
where: short stacking energy: -258.568
Base-Backbone interact. energy: -1.664
local terms energy: -363.147415
where:
bonds (distance) C4'-P energy: -97.751
bonds (distance) P-C4' energy: -97.308
flat angles C4'-P-C4' energy: -79.936
flat angles P-C4'-P energy: -54.531
tors. eta vs tors. theta energy: -33.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -503.136724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.136724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.136724 (E_RNA)
where:
Base-Base interactions energy: -226.407
where: short stacking energy: -140.527
Base-Backbone interact. energy: 1.227
local terms energy: -277.957285
where:
bonds (distance) C4'-P energy: -76.644
bonds (distance) P-C4' energy: -91.251
flat angles C4'-P-C4' energy: -73.121
flat angles P-C4'-P energy: -53.437
tors. eta vs tors. theta energy: 16.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -2103.160354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.160354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.160354 (E_RNA)
where:
Base-Base interactions energy: -1482.256
where: short stacking energy: -615.899
Base-Backbone interact. energy: 3.840
local terms energy: -624.745213
where:
bonds (distance) C4'-P energy: -120.367
bonds (distance) P-C4' energy: -114.000
flat angles C4'-P-C4' energy: -133.790
flat angles P-C4'-P energy: -79.363
tors. eta vs tors. theta energy: -177.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -2018.851550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.851550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.851550 (E_RNA)
where:
Base-Base interactions energy: -1402.746
where: short stacking energy: -599.494
Base-Backbone interact. energy: -4.031
local terms energy: -612.074540
where:
bonds (distance) C4'-P energy: -110.828
bonds (distance) P-C4' energy: -113.564
flat angles C4'-P-C4' energy: -131.983
flat angles P-C4'-P energy: -80.372
tors. eta vs tors. theta energy: -175.329
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: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1945.563822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.563822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.563822 (E_RNA)
where:
Base-Base interactions energy: -1341.930
where: short stacking energy: -541.594
Base-Backbone interact. energy: -2.795
local terms energy: -600.839455
where:
bonds (distance) C4'-P energy: -114.919
bonds (distance) P-C4' energy: -115.287
flat angles C4'-P-C4' energy: -127.756
flat angles P-C4'-P energy: -80.990
tors. eta vs tors. theta energy: -161.887
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: 5
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1805.496496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.496496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.496496 (E_RNA)
where:
Base-Base interactions energy: -1259.829
where: short stacking energy: -518.881
Base-Backbone interact. energy: -2.969
local terms energy: -542.698665
where:
bonds (distance) C4'-P energy: -106.166
bonds (distance) P-C4' energy: -103.359
flat angles C4'-P-C4' energy: -108.845
flat angles P-C4'-P energy: -78.711
tors. eta vs tors. theta energy: -145.617
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: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1787.860337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.860337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.860337 (E_RNA)
where:
Base-Base interactions energy: -1208.665
where: short stacking energy: -542.365
Base-Backbone interact. energy: 0.208
local terms energy: -579.403916
where:
bonds (distance) C4'-P energy: -93.265
bonds (distance) P-C4' energy: -105.693
flat angles C4'-P-C4' energy: -123.727
flat angles P-C4'-P energy: -85.211
tors. eta vs tors. theta energy: -171.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1539.115027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.115027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.115027 (E_RNA)
where:
Base-Base interactions energy: -1039.503
where: short stacking energy: -433.045
Base-Backbone interact. energy: -1.999
local terms energy: -497.612298
where:
bonds (distance) C4'-P energy: -98.201
bonds (distance) P-C4' energy: -97.771
flat angles C4'-P-C4' energy: -123.382
flat angles P-C4'-P energy: -60.811
tors. eta vs tors. theta energy: -117.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1263.719618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.719618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.719618 (E_RNA)
where:
Base-Base interactions energy: -796.740
where: short stacking energy: -362.615
Base-Backbone interact. energy: 2.014
local terms energy: -468.993979
where:
bonds (distance) C4'-P energy: -96.187
bonds (distance) P-C4' energy: -120.940
flat angles C4'-P-C4' energy: -102.778
flat angles P-C4'-P energy: -66.588
tors. eta vs tors. theta energy: -82.501
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: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1015.173109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.173109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.173109 (E_RNA)
where:
Base-Base interactions energy: -616.376
where: short stacking energy: -286.711
Base-Backbone interact. energy: -2.365
local terms energy: -396.432004
where:
bonds (distance) C4'-P energy: -78.556
bonds (distance) P-C4' energy: -91.987
flat angles C4'-P-C4' energy: -97.175
flat angles P-C4'-P energy: -73.798
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: 9, replica: 4
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -857.317588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.317588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.317588 (E_RNA)
where:
Base-Base interactions energy: -484.513
where: short stacking energy: -231.809
Base-Backbone interact. energy: 0.140
local terms energy: -372.944423
where:
bonds (distance) C4'-P energy: -85.097
bonds (distance) P-C4' energy: -88.342
flat angles C4'-P-C4' energy: -86.417
flat angles P-C4'-P energy: -77.024
tors. eta vs tors. theta energy: -36.065
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: 2
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -540.067244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.067244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.067244 (E_RNA)
where:
Base-Base interactions energy: -240.607
where: short stacking energy: -152.542
Base-Backbone interact. energy: -2.840
local terms energy: -296.620309
where:
bonds (distance) C4'-P energy: -98.741
bonds (distance) P-C4' energy: -85.778
flat angles C4'-P-C4' energy: -75.861
flat angles P-C4'-P energy: -51.844
tors. eta vs tors. theta energy: 15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -2109.120726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.120726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.120726 (E_RNA)
where:
Base-Base interactions energy: -1470.210
where: short stacking energy: -604.498
Base-Backbone interact. energy: 0.722
local terms energy: -639.632595
where:
bonds (distance) C4'-P energy: -117.059
bonds (distance) P-C4' energy: -115.003
flat angles C4'-P-C4' energy: -129.921
flat angles P-C4'-P energy: -96.361
tors. eta vs tors. theta energy: -181.289
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: 7
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -2033.597891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.597891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.597891 (E_RNA)
where:
Base-Base interactions energy: -1425.366
where: short stacking energy: -577.495
Base-Backbone interact. energy: 0.938
local terms energy: -609.169904
where:
bonds (distance) C4'-P energy: -113.924
bonds (distance) P-C4' energy: -120.715
flat angles C4'-P-C4' energy: -122.835
flat angles P-C4'-P energy: -77.870
tors. eta vs tors. theta energy: -173.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1995.729734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.729734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.729734 (E_RNA)
where:
Base-Base interactions energy: -1408.849
where: short stacking energy: -552.631
Base-Backbone interact. energy: -6.112
local terms energy: -580.768290
where:
bonds (distance) C4'-P energy: -97.402
bonds (distance) P-C4' energy: -110.520
flat angles C4'-P-C4' energy: -125.214
flat angles P-C4'-P energy: -88.744
tors. eta vs tors. theta energy: -158.888
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: 5
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1820.643675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.643675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.643675 (E_RNA)
where:
Base-Base interactions energy: -1265.893
where: short stacking energy: -532.329
Base-Backbone interact. energy: 1.293
local terms energy: -556.043753
where:
bonds (distance) C4'-P energy: -101.494
bonds (distance) P-C4' energy: -110.317
flat angles C4'-P-C4' energy: -115.657
flat angles P-C4'-P energy: -69.547
tors. eta vs tors. theta energy: -159.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1759.133701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.133701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.133701 (E_RNA)
where:
Base-Base interactions energy: -1199.654
where: short stacking energy: -515.004
Base-Backbone interact. energy: -3.748
local terms energy: -555.732122
where:
bonds (distance) C4'-P energy: -89.469
bonds (distance) P-C4' energy: -126.127
flat angles C4'-P-C4' energy: -113.447
flat angles P-C4'-P energy: -83.434
tors. eta vs tors. theta energy: -143.255
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: 6, replica: 1
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1517.138968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.138968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.138968 (E_RNA)
where:
Base-Base interactions energy: -1007.195
where: short stacking energy: -458.025
Base-Backbone interact. energy: -0.450
local terms energy: -509.494790
where:
bonds (distance) C4'-P energy: -106.655
bonds (distance) P-C4' energy: -103.584
flat angles C4'-P-C4' energy: -112.219
flat angles P-C4'-P energy: -60.152
tors. eta vs tors. theta energy: -126.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1266.195876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.195876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.195876 (E_RNA)
where:
Base-Base interactions energy: -809.076
where: short stacking energy: -396.884
Base-Backbone interact. energy: -1.520
local terms energy: -455.599331
where:
bonds (distance) C4'-P energy: -100.745
bonds (distance) P-C4' energy: -87.512
flat angles C4'-P-C4' energy: -103.047
flat angles P-C4'-P energy: -69.307
tors. eta vs tors. theta energy: -94.988
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: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1053.403255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.403255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.403255 (E_RNA)
where:
Base-Base interactions energy: -643.515
where: short stacking energy: -291.535
Base-Backbone interact. energy: -1.213
local terms energy: -408.675702
where:
bonds (distance) C4'-P energy: -74.568
bonds (distance) P-C4' energy: -124.715
flat angles C4'-P-C4' energy: -88.259
flat angles P-C4'-P energy: -66.720
tors. eta vs tors. theta energy: -54.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -866.259373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.259373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.259373 (E_RNA)
where:
Base-Base interactions energy: -484.189
where: short stacking energy: -248.824
Base-Backbone interact. energy: -0.574
local terms energy: -381.496077
where:
bonds (distance) C4'-P energy: -86.859
bonds (distance) P-C4' energy: -106.544
flat angles C4'-P-C4' energy: -88.008
flat angles P-C4'-P energy: -54.393
tors. eta vs tors. theta energy: -45.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -519.500734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.500734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.500734 (E_RNA)
where:
Base-Base interactions energy: -210.126
where: short stacking energy: -132.925
Base-Backbone interact. energy: 4.998
local terms energy: -314.372343
where:
bonds (distance) C4'-P energy: -100.080
bonds (distance) P-C4' energy: -96.617
flat angles C4'-P-C4' energy: -67.700
flat angles P-C4'-P energy: -53.847
tors. eta vs tors. theta energy: 3.871
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: 9
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -2101.652746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.652746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.652746 (E_RNA)
where:
Base-Base interactions energy: -1467.386
where: short stacking energy: -604.056
Base-Backbone interact. energy: -0.553
local terms energy: -633.713135
where:
bonds (distance) C4'-P energy: -121.795
bonds (distance) P-C4' energy: -120.469
flat angles C4'-P-C4' energy: -131.599
flat angles P-C4'-P energy: -85.913
tors. eta vs tors. theta energy: -173.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1991.311106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.311106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.311106 (E_RNA)
where:
Base-Base interactions energy: -1394.021
where: short stacking energy: -575.975
Base-Backbone interact. energy: -2.380
local terms energy: -594.910208
where:
bonds (distance) C4'-P energy: -112.747
bonds (distance) P-C4' energy: -104.504
flat angles C4'-P-C4' energy: -132.051
flat angles P-C4'-P energy: -75.068
tors. eta vs tors. theta energy: -170.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1956.467588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.467588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.467588 (E_RNA)
where:
Base-Base interactions energy: -1371.960
where: short stacking energy: -534.640
Base-Backbone interact. energy: -2.733
local terms energy: -581.774478
where:
bonds (distance) C4'-P energy: -96.483
bonds (distance) P-C4' energy: -123.561
flat angles C4'-P-C4' energy: -126.288
flat angles P-C4'-P energy: -79.239
tors. eta vs tors. theta energy: -156.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1778.179125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.179125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.179125 (E_RNA)
where:
Base-Base interactions energy: -1198.017
where: short stacking energy: -502.296
Base-Backbone interact. energy: 0.374
local terms energy: -580.536965
where:
bonds (distance) C4'-P energy: -108.150
bonds (distance) P-C4' energy: -110.394
flat angles C4'-P-C4' energy: -134.826
flat angles P-C4'-P energy: -84.141
tors. eta vs tors. theta energy: -143.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1718.655332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.655332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.655332 (E_RNA)
where:
Base-Base interactions energy: -1161.751
where: short stacking energy: -500.672
Base-Backbone interact. energy: -2.742
local terms energy: -554.162442
where:
bonds (distance) C4'-P energy: -102.560
bonds (distance) P-C4' energy: -118.735
flat angles C4'-P-C4' energy: -118.909
flat angles P-C4'-P energy: -71.826
tors. eta vs tors. theta energy: -142.132
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: 1
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1604.438077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.438077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.438077 (E_RNA)
where:
Base-Base interactions energy: -1038.024
where: short stacking energy: -480.042
Base-Backbone interact. energy: -2.040
local terms energy: -564.373707
where:
bonds (distance) C4'-P energy: -107.065
bonds (distance) P-C4' energy: -115.670
flat angles C4'-P-C4' energy: -124.961
flat angles P-C4'-P energy: -74.074
tors. eta vs tors. theta energy: -142.603
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: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1263.914243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.914243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.914243 (E_RNA)
where:
Base-Base interactions energy: -833.606
where: short stacking energy: -362.695
Base-Backbone interact. energy: -3.673
local terms energy: -426.634978
where:
bonds (distance) C4'-P energy: -100.640
bonds (distance) P-C4' energy: -88.608
flat angles C4'-P-C4' energy: -103.659
flat angles P-C4'-P energy: -52.409
tors. eta vs tors. theta energy: -81.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1098.700217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.700217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.700217 (E_RNA)
where:
Base-Base interactions energy: -695.594
where: short stacking energy: -296.084
Base-Backbone interact. energy: 3.266
local terms energy: -406.371470
where:
bonds (distance) C4'-P energy: -109.300
bonds (distance) P-C4' energy: -92.666
flat angles C4'-P-C4' energy: -101.536
flat angles P-C4'-P energy: -52.155
tors. eta vs tors. theta energy: -50.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -873.454413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.454413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.454413 (E_RNA)
where:
Base-Base interactions energy: -504.413
where: short stacking energy: -250.983
Base-Backbone interact. energy: -0.070
local terms energy: -368.971454
where:
bonds (distance) C4'-P energy: -99.123
bonds (distance) P-C4' energy: -92.731
flat angles C4'-P-C4' energy: -94.004
flat angles P-C4'-P energy: -56.486
tors. eta vs tors. theta energy: -26.628
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: 2
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -558.298353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.298353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.298353 (E_RNA)
where:
Base-Base interactions energy: -257.374
where: short stacking energy: -158.835
Base-Backbone interact. energy: 0.897
local terms energy: -301.821067
where:
bonds (distance) C4'-P energy: -87.032
bonds (distance) P-C4' energy: -102.399
flat angles C4'-P-C4' energy: -80.850
flat angles P-C4'-P energy: -50.436
tors. eta vs tors. theta energy: 18.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -2119.570443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.570443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.570443 (E_RNA)
where:
Base-Base interactions energy: -1483.464
where: short stacking energy: -613.313
Base-Backbone interact. energy: -1.491
local terms energy: -634.615029
where:
bonds (distance) C4'-P energy: -109.662
bonds (distance) P-C4' energy: -112.872
flat angles C4'-P-C4' energy: -140.545
flat angles P-C4'-P energy: -93.705
tors. eta vs tors. theta energy: -177.831
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: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1989.070753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.070753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.070753 (E_RNA)
where:
Base-Base interactions energy: -1371.030
where: short stacking energy: -561.429
Base-Backbone interact. energy: -2.810
local terms energy: -615.230575
where:
bonds (distance) C4'-P energy: -110.436
bonds (distance) P-C4' energy: -117.710
flat angles C4'-P-C4' energy: -130.713
flat angles P-C4'-P energy: -82.178
tors. eta vs tors. theta energy: -174.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -1924.023205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.023205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.023205 (E_RNA)
where:
Base-Base interactions energy: -1350.964
where: short stacking energy: -535.064
Base-Backbone interact. energy: -3.870
local terms energy: -569.188639
where:
bonds (distance) C4'-P energy: -108.408
bonds (distance) P-C4' energy: -112.654
flat angles C4'-P-C4' energy: -123.126
flat angles P-C4'-P energy: -70.031
tors. eta vs tors. theta energy: -154.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1809.343250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.343250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.343250 (E_RNA)
where:
Base-Base interactions energy: -1239.915
where: short stacking energy: -521.372
Base-Backbone interact. energy: -2.814
local terms energy: -566.614333
where:
bonds (distance) C4'-P energy: -106.756
bonds (distance) P-C4' energy: -104.389
flat angles C4'-P-C4' energy: -121.711
flat angles P-C4'-P energy: -77.842
tors. eta vs tors. theta energy: -155.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1710.309847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.309847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.309847 (E_RNA)
where:
Base-Base interactions energy: -1142.528
where: short stacking energy: -504.814
Base-Backbone interact. energy: -3.153
local terms energy: -564.628718
where:
bonds (distance) C4'-P energy: -110.169
bonds (distance) P-C4' energy: -93.143
flat angles C4'-P-C4' energy: -125.534
flat angles P-C4'-P energy: -85.528
tors. eta vs tors. theta energy: -150.255
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: 6, replica: 1
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1535.027195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.027195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.027195 (E_RNA)
where:
Base-Base interactions energy: -1031.626
where: short stacking energy: -460.981
Base-Backbone interact. energy: -0.082
local terms energy: -503.319283
where:
bonds (distance) C4'-P energy: -92.617
bonds (distance) P-C4' energy: -100.640
flat angles C4'-P-C4' energy: -119.712
flat angles P-C4'-P energy: -68.598
tors. eta vs tors. theta energy: -121.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1283.924536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.924536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.924536 (E_RNA)
where:
Base-Base interactions energy: -790.197
where: short stacking energy: -366.530
Base-Backbone interact. energy: 0.835
local terms energy: -494.562476
where:
bonds (distance) C4'-P energy: -114.786
bonds (distance) P-C4' energy: -120.308
flat angles C4'-P-C4' energy: -96.734
flat angles P-C4'-P energy: -76.532
tors. eta vs tors. theta energy: -86.203
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: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1080.936373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.936373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.936373 (E_RNA)
where:
Base-Base interactions energy: -670.042
where: short stacking energy: -312.698
Base-Backbone interact. energy: -1.905
local terms energy: -408.989280
where:
bonds (distance) C4'-P energy: -88.954
bonds (distance) P-C4' energy: -97.034
flat angles C4'-P-C4' energy: -90.504
flat angles P-C4'-P energy: -63.281
tors. eta vs tors. theta energy: -69.216
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: 4
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -833.204629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.204629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.204629 (E_RNA)
where:
Base-Base interactions energy: -496.004
where: short stacking energy: -234.749
Base-Backbone interact. energy: -0.004
local terms energy: -337.196379
where:
bonds (distance) C4'-P energy: -86.666
bonds (distance) P-C4' energy: -88.085
flat angles C4'-P-C4' energy: -92.760
flat angles P-C4'-P energy: -49.532
tors. eta vs tors. theta energy: -20.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -578.950082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.950082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.950082 (E_RNA)
where:
Base-Base interactions energy: -283.906
where: short stacking energy: -167.173
Base-Backbone interact. energy: 0.151
local terms energy: -295.195470
where:
bonds (distance) C4'-P energy: -100.729
bonds (distance) P-C4' energy: -67.693
flat angles C4'-P-C4' energy: -87.190
flat angles P-C4'-P energy: -48.047
tors. eta vs tors. theta energy: 8.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -2098.873196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.873196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.873196 (E_RNA)
where:
Base-Base interactions energy: -1460.600
where: short stacking energy: -585.042
Base-Backbone interact. energy: 0.357
local terms energy: -638.629913
where:
bonds (distance) C4'-P energy: -126.237
bonds (distance) P-C4' energy: -111.828
flat angles C4'-P-C4' energy: -139.668
flat angles P-C4'-P energy: -88.929
tors. eta vs tors. theta energy: -171.968
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: 355
Temperature: 0.950000
Total energy: -2006.146493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.146493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.146493 (E_RNA)
where:
Base-Base interactions energy: -1388.106
where: short stacking energy: -586.077
Base-Backbone interact. energy: -0.888
local terms energy: -617.152742
where:
bonds (distance) C4'-P energy: -112.261
bonds (distance) P-C4' energy: -120.385
flat angles C4'-P-C4' energy: -126.652
flat angles P-C4'-P energy: -82.491
tors. eta vs tors. theta energy: -175.364
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: 8
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1958.763343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.763343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.763343 (E_RNA)
where:
Base-Base interactions energy: -1374.826
where: short stacking energy: -550.404
Base-Backbone interact. energy: -2.703
local terms energy: -581.234547
where:
bonds (distance) C4'-P energy: -103.744
bonds (distance) P-C4' energy: -93.148
flat angles C4'-P-C4' energy: -124.274
flat angles P-C4'-P energy: -91.161
tors. eta vs tors. theta energy: -168.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1819.452664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.452664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.452664 (E_RNA)
where:
Base-Base interactions energy: -1266.048
where: short stacking energy: -529.654
Base-Backbone interact. energy: 0.161
local terms energy: -553.565663
where:
bonds (distance) C4'-P energy: -111.547
bonds (distance) P-C4' energy: -94.382
flat angles C4'-P-C4' energy: -117.058
flat angles P-C4'-P energy: -79.220
tors. eta vs tors. theta energy: -151.359
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: 355
Temperature: 1.100000
Total energy: -1810.003063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.003063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.003063 (E_RNA)
where:
Base-Base interactions energy: -1261.186
where: short stacking energy: -526.470
Base-Backbone interact. energy: 5.234
local terms energy: -554.050185
where:
bonds (distance) C4'-P energy: -113.615
bonds (distance) P-C4' energy: -98.476
flat angles C4'-P-C4' energy: -111.231
flat angles P-C4'-P energy: -75.338
tors. eta vs tors. theta energy: -155.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1524.697248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.697248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.697248 (E_RNA)
where:
Base-Base interactions energy: -992.126
where: short stacking energy: -446.622
Base-Backbone interact. energy: -3.103
local terms energy: -529.468341
where:
bonds (distance) C4'-P energy: -105.563
bonds (distance) P-C4' energy: -111.254
flat angles C4'-P-C4' energy: -103.522
flat angles P-C4'-P energy: -79.525
tors. eta vs tors. theta energy: -129.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1306.010632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.010632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.010632 (E_RNA)
where:
Base-Base interactions energy: -833.942
where: short stacking energy: -388.545
Base-Backbone interact. energy: -0.088
local terms energy: -471.981005
where:
bonds (distance) C4'-P energy: -91.747
bonds (distance) P-C4' energy: -99.254
flat angles C4'-P-C4' energy: -100.980
flat angles P-C4'-P energy: -74.743
tors. eta vs tors. theta energy: -105.258
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: 10
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1106.054158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.054158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.054158 (E_RNA)
where:
Base-Base interactions energy: -694.919
where: short stacking energy: -344.713
Base-Backbone interact. energy: 0.963
local terms energy: -412.098871
where:
bonds (distance) C4'-P energy: -94.503
bonds (distance) P-C4' energy: -114.448
flat angles C4'-P-C4' energy: -92.882
flat angles P-C4'-P energy: -41.350
tors. eta vs tors. theta energy: -68.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -794.061174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.061174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.061174 (E_RNA)
where:
Base-Base interactions energy: -434.530
where: short stacking energy: -227.342
Base-Backbone interact. energy: 3.266
local terms energy: -362.796726
where:
bonds (distance) C4'-P energy: -95.138
bonds (distance) P-C4' energy: -104.097
flat angles C4'-P-C4' energy: -96.188
flat angles P-C4'-P energy: -50.004
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -572.934528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.934528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.934528 (E_RNA)
where:
Base-Base interactions energy: -232.888
where: short stacking energy: -147.493
Base-Backbone interact. energy: -2.468
local terms energy: -337.578570
where:
bonds (distance) C4'-P energy: -94.464
bonds (distance) P-C4' energy: -91.448
flat angles C4'-P-C4' energy: -89.534
flat angles P-C4'-P energy: -58.963
tors. eta vs tors. theta energy: -3.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -2116.850041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2116.850041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2116.850041 (E_RNA)
where:
Base-Base interactions energy: -1494.894
where: short stacking energy: -606.602
Base-Backbone interact. energy: -0.264
local terms energy: -621.691647
where:
bonds (distance) C4'-P energy: -111.566
bonds (distance) P-C4' energy: -120.547
flat angles C4'-P-C4' energy: -133.733
flat angles P-C4'-P energy: -85.978
tors. eta vs tors. theta energy: -169.867
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: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -2034.642374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.642374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.642374 (E_RNA)
where:
Base-Base interactions energy: -1402.317
where: short stacking energy: -590.529
Base-Backbone interact. energy: -2.175
local terms energy: -630.150266
where:
bonds (distance) C4'-P energy: -109.555
bonds (distance) P-C4' energy: -122.455
flat angles C4'-P-C4' energy: -131.345
flat angles P-C4'-P energy: -99.527
tors. eta vs tors. theta energy: -167.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1936.505250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.505250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.505250 (E_RNA)
where:
Base-Base interactions energy: -1325.010
where: short stacking energy: -546.511
Base-Backbone interact. energy: -3.565
local terms energy: -607.930094
where:
bonds (distance) C4'-P energy: -96.433
bonds (distance) P-C4' energy: -120.760
flat angles C4'-P-C4' energy: -132.723
flat angles P-C4'-P energy: -84.013
tors. eta vs tors. theta energy: -174.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1812.455764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.455764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.455764 (E_RNA)
where:
Base-Base interactions energy: -1223.812
where: short stacking energy: -513.669
Base-Backbone interact. energy: 1.192
local terms energy: -589.835594
where:
bonds (distance) C4'-P energy: -109.632
bonds (distance) P-C4' energy: -121.801
flat angles C4'-P-C4' energy: -118.753
flat angles P-C4'-P energy: -88.590
tors. eta vs tors. theta energy: -151.061
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: 6
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1781.841284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.841284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.841284 (E_RNA)
where:
Base-Base interactions energy: -1238.967
where: short stacking energy: -529.232
Base-Backbone interact. energy: 0.037
local terms energy: -542.910802
where:
bonds (distance) C4'-P energy: -100.305
bonds (distance) P-C4' energy: -104.421
flat angles C4'-P-C4' energy: -125.633
flat angles P-C4'-P energy: -64.515
tors. eta vs tors. theta energy: -148.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1542.212821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.212821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.212821 (E_RNA)
where:
Base-Base interactions energy: -1037.147
where: short stacking energy: -457.732
Base-Backbone interact. energy: 2.294
local terms energy: -507.359737
where:
bonds (distance) C4'-P energy: -94.024
bonds (distance) P-C4' energy: -102.118
flat angles C4'-P-C4' energy: -113.548
flat angles P-C4'-P energy: -82.293
tors. eta vs tors. theta energy: -115.377
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: 356
Temperature: 1.200000
Total energy: -1303.733830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.733830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.733830 (E_RNA)
where:
Base-Base interactions energy: -839.031
where: short stacking energy: -394.679
Base-Backbone interact. energy: -1.339
local terms energy: -463.364175
where:
bonds (distance) C4'-P energy: -84.794
bonds (distance) P-C4' energy: -102.628
flat angles C4'-P-C4' energy: -110.851
flat angles P-C4'-P energy: -66.730
tors. eta vs tors. theta energy: -98.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1103.456201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.456201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.456201 (E_RNA)
where:
Base-Base interactions energy: -704.864
where: short stacking energy: -326.529
Base-Backbone interact. energy: 0.740
local terms energy: -399.332443
where:
bonds (distance) C4'-P energy: -83.102
bonds (distance) P-C4' energy: -100.048
flat angles C4'-P-C4' energy: -98.994
flat angles P-C4'-P energy: -49.563
tors. eta vs tors. theta energy: -67.625
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: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -806.465154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.465154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.465154 (E_RNA)
where:
Base-Base interactions energy: -441.847
where: short stacking energy: -207.449
Base-Backbone interact. energy: -0.533
local terms energy: -364.085513
where:
bonds (distance) C4'-P energy: -102.730
bonds (distance) P-C4' energy: -97.099
flat angles C4'-P-C4' energy: -87.016
flat angles P-C4'-P energy: -64.550
tors. eta vs tors. theta energy: -12.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -612.154111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.154111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.154111 (E_RNA)
where:
Base-Base interactions energy: -306.392
where: short stacking energy: -163.927
Base-Backbone interact. energy: -1.943
local terms energy: -303.819638
where:
bonds (distance) C4'-P energy: -112.652
bonds (distance) P-C4' energy: -102.280
flat angles C4'-P-C4' energy: -80.270
flat angles P-C4'-P energy: -37.030
tors. eta vs tors. theta energy: 28.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -2097.492777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.492777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.492777 (E_RNA)
where:
Base-Base interactions energy: -1474.016
where: short stacking energy: -612.599
Base-Backbone interact. energy: 0.713
local terms energy: -624.190109
where:
bonds (distance) C4'-P energy: -119.804
bonds (distance) P-C4' energy: -117.086
flat angles C4'-P-C4' energy: -131.966
flat angles P-C4'-P energy: -84.771
tors. eta vs tors. theta energy: -170.564
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: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1976.873852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.873852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.873852 (E_RNA)
where:
Base-Base interactions energy: -1357.635
where: short stacking energy: -570.072
Base-Backbone interact. energy: -0.327
local terms energy: -618.911417
where:
bonds (distance) C4'-P energy: -108.814
bonds (distance) P-C4' energy: -116.470
flat angles C4'-P-C4' energy: -132.851
flat angles P-C4'-P energy: -89.086
tors. eta vs tors. theta energy: -171.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1946.939655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.939655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.939655 (E_RNA)
where:
Base-Base interactions energy: -1365.821
where: short stacking energy: -545.799
Base-Backbone interact. energy: -1.798
local terms energy: -579.321222
where:
bonds (distance) C4'-P energy: -101.802
bonds (distance) P-C4' energy: -118.086
flat angles C4'-P-C4' energy: -115.930
flat angles P-C4'-P energy: -82.392
tors. eta vs tors. theta energy: -161.111
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: 4, replica: 5
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1791.897224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.897224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.897224 (E_RNA)
where:
Base-Base interactions energy: -1230.527
where: short stacking energy: -521.651
Base-Backbone interact. energy: -3.142
local terms energy: -558.228045
where:
bonds (distance) C4'-P energy: -105.211
bonds (distance) P-C4' energy: -114.149
flat angles C4'-P-C4' energy: -114.707
flat angles P-C4'-P energy: -77.966
tors. eta vs tors. theta energy: -146.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1800.688741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.688741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.688741 (E_RNA)
where:
Base-Base interactions energy: -1237.200
where: short stacking energy: -506.224
Base-Backbone interact. energy: -3.704
local terms energy: -559.784428
where:
bonds (distance) C4'-P energy: -101.967
bonds (distance) P-C4' energy: -113.058
flat angles C4'-P-C4' energy: -119.897
flat angles P-C4'-P energy: -73.010
tors. eta vs tors. theta energy: -151.852
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: 357
Temperature: 1.150000
Total energy: -1526.087368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.087368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.087368 (E_RNA)
where:
Base-Base interactions energy: -1016.426
where: short stacking energy: -468.018
Base-Backbone interact. energy: -1.319
local terms energy: -508.341949
where:
bonds (distance) C4'-P energy: -101.305
bonds (distance) P-C4' energy: -92.588
flat angles C4'-P-C4' energy: -116.045
flat angles P-C4'-P energy: -76.745
tors. eta vs tors. theta energy: -121.658
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: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1299.874779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.874779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.874779 (E_RNA)
where:
Base-Base interactions energy: -813.225
where: short stacking energy: -351.883
Base-Backbone interact. energy: -0.564
local terms energy: -486.085266
where:
bonds (distance) C4'-P energy: -110.125
bonds (distance) P-C4' energy: -113.151
flat angles C4'-P-C4' energy: -95.868
flat angles P-C4'-P energy: -76.337
tors. eta vs tors. theta energy: -90.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1003.871364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.871364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.871364 (E_RNA)
where:
Base-Base interactions energy: -609.207
where: short stacking energy: -270.970
Base-Backbone interact. energy: 0.251
local terms energy: -394.914742
where:
bonds (distance) C4'-P energy: -98.400
bonds (distance) P-C4' energy: -99.644
flat angles C4'-P-C4' energy: -85.588
flat angles P-C4'-P energy: -56.886
tors. eta vs tors. theta energy: -54.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -819.511396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.511396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.511396 (E_RNA)
where:
Base-Base interactions energy: -452.210
where: short stacking energy: -225.791
Base-Backbone interact. energy: 0.617
local terms energy: -367.918814
where:
bonds (distance) C4'-P energy: -97.273
bonds (distance) P-C4' energy: -119.891
flat angles C4'-P-C4' energy: -90.277
flat angles P-C4'-P energy: -53.633
tors. eta vs tors. theta energy: -6.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -590.471956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.471956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.471956 (E_RNA)
where:
Base-Base interactions energy: -294.916
where: short stacking energy: -145.889
Base-Backbone interact. energy: -2.418
local terms energy: -293.137416
where:
bonds (distance) C4'-P energy: -79.188
bonds (distance) P-C4' energy: -89.205
flat angles C4'-P-C4' energy: -95.299
flat angles P-C4'-P energy: -46.947
tors. eta vs tors. theta energy: 17.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -2081.319470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.319470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.319470 (E_RNA)
where:
Base-Base interactions energy: -1460.563
where: short stacking energy: -590.314
Base-Backbone interact. energy: -0.748
local terms energy: -620.007737
where:
bonds (distance) C4'-P energy: -112.429
bonds (distance) P-C4' energy: -125.180
flat angles C4'-P-C4' energy: -133.342
flat angles P-C4'-P energy: -85.246
tors. eta vs tors. theta energy: -163.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1984.767261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.767261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.767261 (E_RNA)
where:
Base-Base interactions energy: -1370.113
where: short stacking energy: -568.503
Base-Backbone interact. energy: -1.379
local terms energy: -613.275309
where:
bonds (distance) C4'-P energy: -117.397
bonds (distance) P-C4' energy: -116.986
flat angles C4'-P-C4' energy: -127.522
flat angles P-C4'-P energy: -81.882
tors. eta vs tors. theta energy: -169.488
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: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1972.914184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.914184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.914184 (E_RNA)
where:
Base-Base interactions energy: -1342.113
where: short stacking energy: -574.428
Base-Backbone interact. energy: -4.335
local terms energy: -626.466200
where:
bonds (distance) C4'-P energy: -118.452
bonds (distance) P-C4' energy: -115.266
flat angles C4'-P-C4' energy: -128.459
flat angles P-C4'-P energy: -85.095
tors. eta vs tors. theta energy: -179.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1776.959842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.959842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.959842 (E_RNA)
where:
Base-Base interactions energy: -1228.592
where: short stacking energy: -495.733
Base-Backbone interact. energy: -0.505
local terms energy: -547.862778
where:
bonds (distance) C4'-P energy: -92.027
bonds (distance) P-C4' energy: -110.335
flat angles C4'-P-C4' energy: -116.162
flat angles P-C4'-P energy: -79.140
tors. eta vs tors. theta energy: -150.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1789.527322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.527322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.527322 (E_RNA)
where:
Base-Base interactions energy: -1194.302
where: short stacking energy: -495.406
Base-Backbone interact. energy: -0.900
local terms energy: -594.324949
where:
bonds (distance) C4'-P energy: -124.863
bonds (distance) P-C4' energy: -111.732
flat angles C4'-P-C4' energy: -132.523
flat angles P-C4'-P energy: -73.351
tors. eta vs tors. theta energy: -151.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1483.252611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.252611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.252611 (E_RNA)
where:
Base-Base interactions energy: -1007.793
where: short stacking energy: -451.095
Base-Backbone interact. energy: 4.423
local terms energy: -479.882150
where:
bonds (distance) C4'-P energy: -76.441
bonds (distance) P-C4' energy: -94.800
flat angles C4'-P-C4' energy: -114.338
flat angles P-C4'-P energy: -74.840
tors. eta vs tors. theta energy: -119.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1292.139786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.139786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.139786 (E_RNA)
where:
Base-Base interactions energy: -832.949
where: short stacking energy: -379.764
Base-Backbone interact. energy: 0.295
local terms energy: -459.485798
where:
bonds (distance) C4'-P energy: -99.466
bonds (distance) P-C4' energy: -110.341
flat angles C4'-P-C4' energy: -89.107
flat angles P-C4'-P energy: -61.808
tors. eta vs tors. theta energy: -98.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1066.877040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.877040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.877040 (E_RNA)
where:
Base-Base interactions energy: -671.820
where: short stacking energy: -319.080
Base-Backbone interact. energy: -2.421
local terms energy: -392.635727
where:
bonds (distance) C4'-P energy: -72.104
bonds (distance) P-C4' energy: -102.376
flat angles C4'-P-C4' energy: -115.074
flat angles P-C4'-P energy: -48.239
tors. eta vs tors. theta energy: -54.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -834.199713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.199713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.199713 (E_RNA)
where:
Base-Base interactions energy: -458.188
where: short stacking energy: -235.974
Base-Backbone interact. energy: 1.965
local terms energy: -377.977035
where:
bonds (distance) C4'-P energy: -98.700
bonds (distance) P-C4' energy: -95.823
flat angles C4'-P-C4' energy: -81.193
flat angles P-C4'-P energy: -65.947
tors. eta vs tors. theta energy: -36.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -572.097330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.097330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.097330 (E_RNA)
where:
Base-Base interactions energy: -254.472
where: short stacking energy: -177.453
Base-Backbone interact. energy: -3.085
local terms energy: -314.539735
where:
bonds (distance) C4'-P energy: -87.614
bonds (distance) P-C4' energy: -108.072
flat angles C4'-P-C4' energy: -74.838
flat angles P-C4'-P energy: -47.999
tors. eta vs tors. theta energy: 3.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -2097.129883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.129883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.129883 (E_RNA)
where:
Base-Base interactions energy: -1500.625
where: short stacking energy: -616.210
Base-Backbone interact. energy: 2.521
local terms energy: -599.025501
where:
bonds (distance) C4'-P energy: -112.545
bonds (distance) P-C4' energy: -113.466
flat angles C4'-P-C4' energy: -130.632
flat angles P-C4'-P energy: -71.620
tors. eta vs tors. theta energy: -170.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1999.843180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.843180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.843180 (E_RNA)
where:
Base-Base interactions energy: -1383.654
where: short stacking energy: -576.068
Base-Backbone interact. energy: -2.498
local terms energy: -613.691429
where:
bonds (distance) C4'-P energy: -107.073
bonds (distance) P-C4' energy: -112.614
flat angles C4'-P-C4' energy: -134.429
flat angles P-C4'-P energy: -88.572
tors. eta vs tors. theta energy: -171.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1888.878863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.878863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.878863 (E_RNA)
where:
Base-Base interactions energy: -1313.806
where: short stacking energy: -518.525
Base-Backbone interact. energy: -3.315
local terms energy: -571.757808
where:
bonds (distance) C4'-P energy: -105.707
bonds (distance) P-C4' energy: -121.378
flat angles C4'-P-C4' energy: -125.186
flat angles P-C4'-P energy: -65.783
tors. eta vs tors. theta energy: -153.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1792.313845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.313845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.313845 (E_RNA)
where:
Base-Base interactions energy: -1238.095
where: short stacking energy: -522.254
Base-Backbone interact. energy: -3.221
local terms energy: -550.998256
where:
bonds (distance) C4'-P energy: -104.022
bonds (distance) P-C4' energy: -111.869
flat angles C4'-P-C4' energy: -120.968
flat angles P-C4'-P energy: -72.727
tors. eta vs tors. theta energy: -141.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1791.632742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.632742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.632742 (E_RNA)
where:
Base-Base interactions energy: -1247.622
where: short stacking energy: -516.370
Base-Backbone interact. energy: 3.680
local terms energy: -547.690709
where:
bonds (distance) C4'-P energy: -90.812
bonds (distance) P-C4' energy: -110.561
flat angles C4'-P-C4' energy: -128.610
flat angles P-C4'-P energy: -65.445
tors. eta vs tors. theta energy: -152.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1429.617877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.617877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.617877 (E_RNA)
where:
Base-Base interactions energy: -956.279
where: short stacking energy: -406.293
Base-Backbone interact. energy: 3.413
local terms energy: -476.751888
where:
bonds (distance) C4'-P energy: -98.195
bonds (distance) P-C4' energy: -101.392
flat angles C4'-P-C4' energy: -98.621
flat angles P-C4'-P energy: -72.530
tors. eta vs tors. theta energy: -106.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1317.002511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.002511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.002511 (E_RNA)
where:
Base-Base interactions energy: -847.399
where: short stacking energy: -405.030
Base-Backbone interact. energy: -1.682
local terms energy: -467.922131
where:
bonds (distance) C4'-P energy: -81.532
bonds (distance) P-C4' energy: -114.043
flat angles C4'-P-C4' energy: -104.427
flat angles P-C4'-P energy: -73.825
tors. eta vs tors. theta energy: -94.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -986.677801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.677801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.677801 (E_RNA)
where:
Base-Base interactions energy: -580.707
where: short stacking energy: -289.362
Base-Backbone interact. energy: -1.599
local terms energy: -404.370901
where:
bonds (distance) C4'-P energy: -93.285
bonds (distance) P-C4' energy: -97.032
flat angles C4'-P-C4' energy: -109.615
flat angles P-C4'-P energy: -59.219
tors. eta vs tors. theta energy: -45.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -859.498488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.498488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.498488 (E_RNA)
where:
Base-Base interactions energy: -503.897
where: short stacking energy: -231.421
Base-Backbone interact. energy: -1.345
local terms energy: -354.256333
where:
bonds (distance) C4'-P energy: -79.053
bonds (distance) P-C4' energy: -106.812
flat angles C4'-P-C4' energy: -96.759
flat angles P-C4'-P energy: -61.940
tors. eta vs tors. theta energy: -9.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -575.906814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.906814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.906814 (E_RNA)
where:
Base-Base interactions energy: -255.117
where: short stacking energy: -146.038
Base-Backbone interact. energy: -0.926
local terms energy: -319.863347
where:
bonds (distance) C4'-P energy: -77.525
bonds (distance) P-C4' energy: -119.256
flat angles C4'-P-C4' energy: -77.792
flat angles P-C4'-P energy: -62.654
tors. eta vs tors. theta energy: 17.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -2093.815539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.815539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.815539 (E_RNA)
where:
Base-Base interactions energy: -1457.547
where: short stacking energy: -621.741
Base-Backbone interact. energy: -1.044
local terms energy: -635.224493
where:
bonds (distance) C4'-P energy: -110.167
bonds (distance) P-C4' energy: -125.432
flat angles C4'-P-C4' energy: -127.526
flat angles P-C4'-P energy: -94.961
tors. eta vs tors. theta energy: -177.139
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: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -2013.969021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2013.969021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2013.969021 (E_RNA)
where:
Base-Base interactions energy: -1408.529
where: short stacking energy: -586.508
Base-Backbone interact. energy: -0.715
local terms energy: -604.724324
where:
bonds (distance) C4'-P energy: -108.972
bonds (distance) P-C4' energy: -106.210
flat angles C4'-P-C4' energy: -132.194
flat angles P-C4'-P energy: -89.946
tors. eta vs tors. theta energy: -167.403
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: 3, replica: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1948.435601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.435601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.435601 (E_RNA)
where:
Base-Base interactions energy: -1361.844
where: short stacking energy: -539.974
Base-Backbone interact. energy: -1.316
local terms energy: -585.275721
where:
bonds (distance) C4'-P energy: -98.628
bonds (distance) P-C4' energy: -129.398
flat angles C4'-P-C4' energy: -121.653
flat angles P-C4'-P energy: -71.247
tors. eta vs tors. theta energy: -164.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1776.167039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.167039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.167039 (E_RNA)
where:
Base-Base interactions energy: -1214.075
where: short stacking energy: -521.283
Base-Backbone interact. energy: -3.725
local terms energy: -558.367336
where:
bonds (distance) C4'-P energy: -118.532
bonds (distance) P-C4' energy: -101.957
flat angles C4'-P-C4' energy: -124.345
flat angles P-C4'-P energy: -77.107
tors. eta vs tors. theta energy: -136.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1786.954310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.954310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.954310 (E_RNA)
where:
Base-Base interactions energy: -1236.110
where: short stacking energy: -498.942
Base-Backbone interact. energy: -3.245
local terms energy: -547.600078
where:
bonds (distance) C4'-P energy: -102.245
bonds (distance) P-C4' energy: -102.685
flat angles C4'-P-C4' energy: -116.909
flat angles P-C4'-P energy: -73.998
tors. eta vs tors. theta energy: -151.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1504.511767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.511767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.511767 (E_RNA)
where:
Base-Base interactions energy: -1000.431
where: short stacking energy: -469.711
Base-Backbone interact. energy: -0.370
local terms energy: -503.710268
where:
bonds (distance) C4'-P energy: -85.538
bonds (distance) P-C4' energy: -99.280
flat angles C4'-P-C4' energy: -118.332
flat angles P-C4'-P energy: -81.578
tors. eta vs tors. theta energy: -118.982
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: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1275.263946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.263946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.263946 (E_RNA)
where:
Base-Base interactions energy: -816.588
where: short stacking energy: -365.823
Base-Backbone interact. energy: -2.545
local terms energy: -456.130957
where:
bonds (distance) C4'-P energy: -104.567
bonds (distance) P-C4' energy: -100.007
flat angles C4'-P-C4' energy: -99.538
flat angles P-C4'-P energy: -66.212
tors. eta vs tors. theta energy: -85.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -978.335662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.335662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.335662 (E_RNA)
where:
Base-Base interactions energy: -559.854
where: short stacking energy: -267.146
Base-Backbone interact. energy: -1.985
local terms energy: -416.496669
where:
bonds (distance) C4'-P energy: -99.581
bonds (distance) P-C4' energy: -100.189
flat angles C4'-P-C4' energy: -100.187
flat angles P-C4'-P energy: -73.543
tors. eta vs tors. theta energy: -42.997
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: 360
Temperature: 1.300000
Total energy: -829.815855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.815855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.815855 (E_RNA)
where:
Base-Base interactions energy: -472.601
where: short stacking energy: -248.409
Base-Backbone interact. energy: 2.640
local terms energy: -359.854819
where:
bonds (distance) C4'-P energy: -92.588
bonds (distance) P-C4' energy: -103.389
flat angles C4'-P-C4' energy: -89.805
flat angles P-C4'-P energy: -58.856
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -607.280495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.280495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.280495 (E_RNA)
where:
Base-Base interactions energy: -282.951
where: short stacking energy: -163.611
Base-Backbone interact. energy: 2.151
local terms energy: -326.480277
where:
bonds (distance) C4'-P energy: -85.346
bonds (distance) P-C4' energy: -111.619
flat angles C4'-P-C4' energy: -74.949
flat angles P-C4'-P energy: -53.876
tors. eta vs tors. theta energy: -0.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -2107.675738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2107.675738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2107.675738 (E_RNA)
where:
Base-Base interactions energy: -1466.655
where: short stacking energy: -612.976
Base-Backbone interact. energy: 2.177
local terms energy: -643.197854
where:
bonds (distance) C4'-P energy: -117.160
bonds (distance) P-C4' energy: -129.633
flat angles C4'-P-C4' energy: -131.946
flat angles P-C4'-P energy: -87.841
tors. eta vs tors. theta energy: -176.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1992.611993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.611993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.611993 (E_RNA)
where:
Base-Base interactions energy: -1390.298
where: short stacking energy: -586.285
Base-Backbone interact. energy: -4.374
local terms energy: -597.940547
where:
bonds (distance) C4'-P energy: -102.068
bonds (distance) P-C4' energy: -117.700
flat angles C4'-P-C4' energy: -128.156
flat angles P-C4'-P energy: -82.254
tors. eta vs tors. theta energy: -167.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1954.465363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.465363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.465363 (E_RNA)
where:
Base-Base interactions energy: -1385.717
where: short stacking energy: -560.101
Base-Backbone interact. energy: -2.279
local terms energy: -566.469737
where:
bonds (distance) C4'-P energy: -98.157
bonds (distance) P-C4' energy: -108.447
flat angles C4'-P-C4' energy: -130.742
flat angles P-C4'-P energy: -67.674
tors. eta vs tors. theta energy: -161.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1853.611000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.611000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.611000 (E_RNA)
where:
Base-Base interactions energy: -1285.148
where: short stacking energy: -515.915
Base-Backbone interact. energy: -0.862
local terms energy: -567.600631
where:
bonds (distance) C4'-P energy: -102.512
bonds (distance) P-C4' energy: -113.175
flat angles C4'-P-C4' energy: -120.693
flat angles P-C4'-P energy: -72.750
tors. eta vs tors. theta energy: -158.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1732.616704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.616704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.616704 (E_RNA)
where:
Base-Base interactions energy: -1192.676
where: short stacking energy: -520.496
Base-Backbone interact. energy: -1.736
local terms energy: -538.204869
where:
bonds (distance) C4'-P energy: -101.187
bonds (distance) P-C4' energy: -102.381
flat angles C4'-P-C4' energy: -123.728
flat angles P-C4'-P energy: -73.482
tors. eta vs tors. theta energy: -137.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1472.019501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.019501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.019501 (E_RNA)
where:
Base-Base interactions energy: -991.925
where: short stacking energy: -459.604
Base-Backbone interact. energy: -2.946
local terms energy: -477.148449
where:
bonds (distance) C4'-P energy: -85.113
bonds (distance) P-C4' energy: -88.078
flat angles C4'-P-C4' energy: -102.267
flat angles P-C4'-P energy: -76.749
tors. eta vs tors. theta energy: -124.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1330.663922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.663922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.663922 (E_RNA)
where:
Base-Base interactions energy: -876.103
where: short stacking energy: -420.091
Base-Backbone interact. energy: -1.520
local terms energy: -453.041679
where:
bonds (distance) C4'-P energy: -79.257
bonds (distance) P-C4' energy: -82.766
flat angles C4'-P-C4' energy: -110.073
flat angles P-C4'-P energy: -54.221
tors. eta vs tors. theta energy: -126.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1031.340771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.340771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.340771 (E_RNA)
where:
Base-Base interactions energy: -620.052
where: short stacking energy: -279.173
Base-Backbone interact. energy: 5.860
local terms energy: -417.149070
where:
bonds (distance) C4'-P energy: -98.024
bonds (distance) P-C4' energy: -108.668
flat angles C4'-P-C4' energy: -99.365
flat angles P-C4'-P energy: -67.609
tors. eta vs tors. theta energy: -43.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -840.826250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.826250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.826250 (E_RNA)
where:
Base-Base interactions energy: -462.164
where: short stacking energy: -245.763
Base-Backbone interact. energy: 1.826
local terms energy: -380.487388
where:
bonds (distance) C4'-P energy: -94.892
bonds (distance) P-C4' energy: -91.223
flat angles C4'-P-C4' energy: -89.912
flat angles P-C4'-P energy: -68.315
tors. eta vs tors. theta energy: -36.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -590.317815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.317815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.317815 (E_RNA)
where:
Base-Base interactions energy: -260.886
where: short stacking energy: -152.459
Base-Backbone interact. energy: -2.208
local terms energy: -327.223507
where:
bonds (distance) C4'-P energy: -80.640
bonds (distance) P-C4' energy: -106.994
flat angles C4'-P-C4' energy: -93.875
flat angles P-C4'-P energy: -52.687
tors. eta vs tors. theta energy: 6.972
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: 9
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -2099.106904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.106904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.106904 (E_RNA)
where:
Base-Base interactions energy: -1462.604
where: short stacking energy: -603.501
Base-Backbone interact. energy: 4.010
local terms energy: -640.513122
where:
bonds (distance) C4'-P energy: -115.030
bonds (distance) P-C4' energy: -117.363
flat angles C4'-P-C4' energy: -128.170
flat angles P-C4'-P energy: -99.689
tors. eta vs tors. theta energy: -180.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1972.439022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.439022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.439022 (E_RNA)
where:
Base-Base interactions energy: -1376.764
where: short stacking energy: -572.184
Base-Backbone interact. energy: -2.752
local terms energy: -592.922546
where:
bonds (distance) C4'-P energy: -113.010
bonds (distance) P-C4' energy: -102.220
flat angles C4'-P-C4' energy: -126.831
flat angles P-C4'-P energy: -85.230
tors. eta vs tors. theta energy: -165.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -1988.108150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.108150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.108150 (E_RNA)
where:
Base-Base interactions energy: -1389.326
where: short stacking energy: -554.548
Base-Backbone interact. energy: -0.559
local terms energy: -598.223115
where:
bonds (distance) C4'-P energy: -107.170
bonds (distance) P-C4' energy: -123.704
flat angles C4'-P-C4' energy: -126.843
flat angles P-C4'-P energy: -79.414
tors. eta vs tors. theta energy: -161.093
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: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1857.760590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.760590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.760590 (E_RNA)
where:
Base-Base interactions energy: -1307.226
where: short stacking energy: -522.570
Base-Backbone interact. energy: -2.497
local terms energy: -548.038511
where:
bonds (distance) C4'-P energy: -103.739
bonds (distance) P-C4' energy: -98.695
flat angles C4'-P-C4' energy: -118.126
flat angles P-C4'-P energy: -78.935
tors. eta vs tors. theta energy: -148.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1696.693861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.693861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.693861 (E_RNA)
where:
Base-Base interactions energy: -1148.980
where: short stacking energy: -485.776
Base-Backbone interact. energy: -3.320
local terms energy: -544.393518
where:
bonds (distance) C4'-P energy: -95.521
bonds (distance) P-C4' energy: -111.659
flat angles C4'-P-C4' energy: -112.655
flat angles P-C4'-P energy: -79.785
tors. eta vs tors. theta energy: -144.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1518.309996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.309996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.309996 (E_RNA)
where:
Base-Base interactions energy: -1033.650
where: short stacking energy: -426.279
Base-Backbone interact. energy: 0.982
local terms energy: -485.641565
where:
bonds (distance) C4'-P energy: -106.970
bonds (distance) P-C4' energy: -88.338
flat angles C4'-P-C4' energy: -94.293
flat angles P-C4'-P energy: -81.704
tors. eta vs tors. theta energy: -114.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1306.053446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.053446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.053446 (E_RNA)
where:
Base-Base interactions energy: -838.950
where: short stacking energy: -388.455
Base-Backbone interact. energy: -1.695
local terms energy: -465.408550
where:
bonds (distance) C4'-P energy: -91.854
bonds (distance) P-C4' energy: -105.816
flat angles C4'-P-C4' energy: -102.223
flat angles P-C4'-P energy: -68.740
tors. eta vs tors. theta energy: -96.776
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: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1055.277050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.277050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.277050 (E_RNA)
where:
Base-Base interactions energy: -642.869
where: short stacking energy: -308.827
Base-Backbone interact. energy: -0.061
local terms energy: -412.346557
where:
bonds (distance) C4'-P energy: -95.774
bonds (distance) P-C4' energy: -102.920
flat angles C4'-P-C4' energy: -112.972
flat angles P-C4'-P energy: -45.779
tors. eta vs tors. theta energy: -54.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -841.320386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.320386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.320386 (E_RNA)
where:
Base-Base interactions energy: -481.108
where: short stacking energy: -240.244
Base-Backbone interact. energy: -2.985
local terms energy: -357.227080
where:
bonds (distance) C4'-P energy: -101.513
bonds (distance) P-C4' energy: -99.578
flat angles C4'-P-C4' energy: -88.176
flat angles P-C4'-P energy: -48.643
tors. eta vs tors. theta energy: -19.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -557.332420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.332420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.332420 (E_RNA)
where:
Base-Base interactions energy: -237.695
where: short stacking energy: -139.653
Base-Backbone interact. energy: 1.167
local terms energy: -320.804627
where:
bonds (distance) C4'-P energy: -89.465
bonds (distance) P-C4' energy: -108.503
flat angles C4'-P-C4' energy: -82.932
flat angles P-C4'-P energy: -45.684
tors. eta vs tors. theta energy: 5.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -2110.342386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.342386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.342386 (E_RNA)
where:
Base-Base interactions energy: -1476.045
where: short stacking energy: -632.733
Base-Backbone interact. energy: 7.822
local terms energy: -642.119474
where:
bonds (distance) C4'-P energy: -110.002
bonds (distance) P-C4' energy: -121.818
flat angles C4'-P-C4' energy: -128.058
flat angles P-C4'-P energy: -101.866
tors. eta vs tors. theta energy: -180.376
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: 8
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -2007.815514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.815514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.815514 (E_RNA)
where:
Base-Base interactions energy: -1393.476
where: short stacking energy: -554.678
Base-Backbone interact. energy: 0.240
local terms energy: -614.579313
where:
bonds (distance) C4'-P energy: -114.421
bonds (distance) P-C4' energy: -112.788
flat angles C4'-P-C4' energy: -133.558
flat angles P-C4'-P energy: -89.339
tors. eta vs tors. theta energy: -164.474
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: 3, replica: 7
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1938.073685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.073685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.073685 (E_RNA)
where:
Base-Base interactions energy: -1338.858
where: short stacking energy: -566.434
Base-Backbone interact. energy: -2.908
local terms energy: -596.307077
where:
bonds (distance) C4'-P energy: -112.419
bonds (distance) P-C4' energy: -95.659
flat angles C4'-P-C4' energy: -136.154
flat angles P-C4'-P energy: -80.692
tors. eta vs tors. theta energy: -171.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1890.330793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.330793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.330793 (E_RNA)
where:
Base-Base interactions energy: -1314.265
where: short stacking energy: -539.263
Base-Backbone interact. energy: -4.422
local terms energy: -571.643725
where:
bonds (distance) C4'-P energy: -111.478
bonds (distance) P-C4' energy: -109.335
flat angles C4'-P-C4' energy: -117.136
flat angles P-C4'-P energy: -73.859
tors. eta vs tors. theta energy: -159.835
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: 5
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1696.716047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.716047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.716047 (E_RNA)
where:
Base-Base interactions energy: -1179.290
where: short stacking energy: -501.683
Base-Backbone interact. energy: 0.285
local terms energy: -517.710736
where:
bonds (distance) C4'-P energy: -83.299
bonds (distance) P-C4' energy: -110.212
flat angles C4'-P-C4' energy: -105.307
flat angles P-C4'-P energy: -78.116
tors. eta vs tors. theta energy: -140.776
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: 6, replica: 1
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1524.460287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.460287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.460287 (E_RNA)
where:
Base-Base interactions energy: -1012.133
where: short stacking energy: -434.565
Base-Backbone interact. energy: 0.612
local terms energy: -512.938954
where:
bonds (distance) C4'-P energy: -99.690
bonds (distance) P-C4' energy: -109.424
flat angles C4'-P-C4' energy: -123.638
flat angles P-C4'-P energy: -58.622
tors. eta vs tors. theta energy: -121.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1305.996723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.996723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.996723 (E_RNA)
where:
Base-Base interactions energy: -860.901
where: short stacking energy: -399.293
Base-Backbone interact. energy: -0.986
local terms energy: -444.109665
where:
bonds (distance) C4'-P energy: -87.056
bonds (distance) P-C4' energy: -95.476
flat angles C4'-P-C4' energy: -103.627
flat angles P-C4'-P energy: -62.412
tors. eta vs tors. theta energy: -95.539
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: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1035.019005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.019005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.019005 (E_RNA)
where:
Base-Base interactions energy: -642.955
where: short stacking energy: -318.125
Base-Backbone interact. energy: -1.133
local terms energy: -390.931055
where:
bonds (distance) C4'-P energy: -90.239
bonds (distance) P-C4' energy: -76.950
flat angles C4'-P-C4' energy: -93.095
flat angles P-C4'-P energy: -60.180
tors. eta vs tors. theta energy: -70.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -841.724098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.724098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.724098 (E_RNA)
where:
Base-Base interactions energy: -499.125
where: short stacking energy: -248.653
Base-Backbone interact. energy: -3.611
local terms energy: -338.987792
where:
bonds (distance) C4'-P energy: -88.330
bonds (distance) P-C4' energy: -99.860
flat angles C4'-P-C4' energy: -90.228
flat angles P-C4'-P energy: -32.760
tors. eta vs tors. theta energy: -27.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -489.044390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.044390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.044390 (E_RNA)
where:
Base-Base interactions energy: -186.936
where: short stacking energy: -123.677
Base-Backbone interact. energy: -2.089
local terms energy: -300.019404
where:
bonds (distance) C4'-P energy: -100.556
bonds (distance) P-C4' energy: -92.979
flat angles C4'-P-C4' energy: -81.902
flat angles P-C4'-P energy: -40.170
tors. eta vs tors. theta energy: 15.587
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: 9
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -2104.358485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.358485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.358485 (E_RNA)
where:
Base-Base interactions energy: -1475.578
where: short stacking energy: -598.945
Base-Backbone interact. energy: -1.414
local terms energy: -627.366861
where:
bonds (distance) C4'-P energy: -120.179
bonds (distance) P-C4' energy: -103.686
flat angles C4'-P-C4' energy: -137.901
flat angles P-C4'-P energy: -90.571
tors. eta vs tors. theta energy: -175.030
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: 8
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1990.881929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.881929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.881929 (E_RNA)
where:
Base-Base interactions energy: -1400.638
where: short stacking energy: -559.184
Base-Backbone interact. energy: -3.514
local terms energy: -586.730660
where:
bonds (distance) C4'-P energy: -100.450
bonds (distance) P-C4' energy: -110.196
flat angles C4'-P-C4' energy: -123.611
flat angles P-C4'-P energy: -82.283
tors. eta vs tors. theta energy: -170.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1943.125989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.125989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.125989 (E_RNA)
where:
Base-Base interactions energy: -1368.834
where: short stacking energy: -564.330
Base-Backbone interact. energy: 4.862
local terms energy: -579.153272
where:
bonds (distance) C4'-P energy: -113.699
bonds (distance) P-C4' energy: -103.885
flat angles C4'-P-C4' energy: -118.317
flat angles P-C4'-P energy: -85.169
tors. eta vs tors. theta energy: -158.084
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: 6
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1837.717469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.717469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.717469 (E_RNA)
where:
Base-Base interactions energy: -1287.831
where: short stacking energy: -522.137
Base-Backbone interact. energy: -2.745
local terms energy: -547.141948
where:
bonds (distance) C4'-P energy: -98.148
bonds (distance) P-C4' energy: -93.742
flat angles C4'-P-C4' energy: -121.365
flat angles P-C4'-P energy: -79.450
tors. eta vs tors. theta energy: -154.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1766.189471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.189471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.189471 (E_RNA)
where:
Base-Base interactions energy: -1204.278
where: short stacking energy: -498.956
Base-Backbone interact. energy: -4.389
local terms energy: -557.522405
where:
bonds (distance) C4'-P energy: -114.787
bonds (distance) P-C4' energy: -94.483
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -82.580
tors. eta vs tors. theta energy: -140.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1525.547134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.547134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.547134 (E_RNA)
where:
Base-Base interactions energy: -1021.247
where: short stacking energy: -458.467
Base-Backbone interact. energy: -2.401
local terms energy: -501.899076
where:
bonds (distance) C4'-P energy: -94.601
bonds (distance) P-C4' energy: -103.269
flat angles C4'-P-C4' energy: -120.542
flat angles P-C4'-P energy: -67.071
tors. eta vs tors. theta energy: -116.415
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: 364
Temperature: 1.200000
Total energy: -1279.177750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.177750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.177750 (E_RNA)
where:
Base-Base interactions energy: -829.564
where: short stacking energy: -401.870
Base-Backbone interact. energy: -2.515
local terms energy: -447.099145
where:
bonds (distance) C4'-P energy: -104.898
bonds (distance) P-C4' energy: -91.246
flat angles C4'-P-C4' energy: -94.199
flat angles P-C4'-P energy: -62.081
tors. eta vs tors. theta energy: -94.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1076.540413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.540413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.540413 (E_RNA)
where:
Base-Base interactions energy: -662.159
where: short stacking energy: -295.212
Base-Backbone interact. energy: -0.686
local terms energy: -413.695431
where:
bonds (distance) C4'-P energy: -91.740
bonds (distance) P-C4' energy: -102.222
flat angles C4'-P-C4' energy: -99.480
flat angles P-C4'-P energy: -56.349
tors. eta vs tors. theta energy: -63.904
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: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -846.424245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.424245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.424245 (E_RNA)
where:
Base-Base interactions energy: -469.166
where: short stacking energy: -229.403
Base-Backbone interact. energy: -2.066
local terms energy: -375.191898
where:
bonds (distance) C4'-P energy: -96.151
bonds (distance) P-C4' energy: -89.675
flat angles C4'-P-C4' energy: -108.817
flat angles P-C4'-P energy: -55.786
tors. eta vs tors. theta energy: -24.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -453.806948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.806948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.806948 (E_RNA)
where:
Base-Base interactions energy: -190.603
where: short stacking energy: -118.642
Base-Backbone interact. energy: 2.014
local terms energy: -265.217807
where:
bonds (distance) C4'-P energy: -89.363
bonds (distance) P-C4' energy: -90.352
flat angles C4'-P-C4' energy: -65.046
flat angles P-C4'-P energy: -46.541
tors. eta vs tors. theta energy: 26.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -2101.831832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.831832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.831832 (E_RNA)
where:
Base-Base interactions energy: -1475.157
where: short stacking energy: -607.709
Base-Backbone interact. energy: 2.691
local terms energy: -629.365421
where:
bonds (distance) C4'-P energy: -130.427
bonds (distance) P-C4' energy: -106.001
flat angles C4'-P-C4' energy: -129.809
flat angles P-C4'-P energy: -91.324
tors. eta vs tors. theta energy: -171.806
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: 8
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1980.848345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.848345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.848345 (E_RNA)
where:
Base-Base interactions energy: -1368.669
where: short stacking energy: -574.844
Base-Backbone interact. energy: 0.856
local terms energy: -613.034911
where:
bonds (distance) C4'-P energy: -109.981
bonds (distance) P-C4' energy: -120.774
flat angles C4'-P-C4' energy: -123.765
flat angles P-C4'-P energy: -88.452
tors. eta vs tors. theta energy: -170.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1964.333538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.333538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.333538 (E_RNA)
where:
Base-Base interactions energy: -1382.035
where: short stacking energy: -559.693
Base-Backbone interact. energy: -4.363
local terms energy: -577.936255
where:
bonds (distance) C4'-P energy: -109.979
bonds (distance) P-C4' energy: -112.465
flat angles C4'-P-C4' energy: -124.240
flat angles P-C4'-P energy: -74.008
tors. eta vs tors. theta energy: -157.245
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: 6
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1849.882194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.882194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.882194 (E_RNA)
where:
Base-Base interactions energy: -1295.635
where: short stacking energy: -547.606
Base-Backbone interact. energy: 0.070
local terms energy: -554.317188
where:
bonds (distance) C4'-P energy: -103.671
bonds (distance) P-C4' energy: -111.585
flat angles C4'-P-C4' energy: -114.376
flat angles P-C4'-P energy: -72.588
tors. eta vs tors. theta energy: -152.096
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: 5
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1764.147383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.147383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.147383 (E_RNA)
where:
Base-Base interactions energy: -1221.642
where: short stacking energy: -520.284
Base-Backbone interact. energy: 1.748
local terms energy: -544.253507
where:
bonds (distance) C4'-P energy: -96.250
bonds (distance) P-C4' energy: -110.417
flat angles C4'-P-C4' energy: -127.379
flat angles P-C4'-P energy: -70.763
tors. eta vs tors. theta energy: -139.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1537.961008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.961008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.961008 (E_RNA)
where:
Base-Base interactions energy: -1036.260
where: short stacking energy: -460.386
Base-Backbone interact. energy: -3.369
local terms energy: -498.332374
where:
bonds (distance) C4'-P energy: -92.815
bonds (distance) P-C4' energy: -102.058
flat angles C4'-P-C4' energy: -114.921
flat angles P-C4'-P energy: -65.318
tors. eta vs tors. theta energy: -123.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1333.262957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.262957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.262957 (E_RNA)
where:
Base-Base interactions energy: -885.124
where: short stacking energy: -414.108
Base-Backbone interact. energy: 2.083
local terms energy: -450.222105
where:
bonds (distance) C4'-P energy: -83.253
bonds (distance) P-C4' energy: -99.404
flat angles C4'-P-C4' energy: -122.743
flat angles P-C4'-P energy: -52.351
tors. eta vs tors. theta energy: -92.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1109.519684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.519684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.519684 (E_RNA)
where:
Base-Base interactions energy: -695.044
where: short stacking energy: -336.074
Base-Backbone interact. energy: -1.561
local terms energy: -412.913795
where:
bonds (distance) C4'-P energy: -70.750
bonds (distance) P-C4' energy: -91.784
flat angles C4'-P-C4' energy: -111.371
flat angles P-C4'-P energy: -67.052
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: 9, replica: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -841.599770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.599770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.599770 (E_RNA)
where:
Base-Base interactions energy: -491.408
where: short stacking energy: -259.684
Base-Backbone interact. energy: 2.266
local terms energy: -352.457771
where:
bonds (distance) C4'-P energy: -82.661
bonds (distance) P-C4' energy: -105.900
flat angles C4'-P-C4' energy: -84.156
flat angles P-C4'-P energy: -48.658
tors. eta vs tors. theta energy: -31.083
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: 2
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -443.761596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.761596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.761596 (E_RNA)
where:
Base-Base interactions energy: -146.775
where: short stacking energy: -105.870
Base-Backbone interact. energy: -3.363
local terms energy: -293.623368
where:
bonds (distance) C4'-P energy: -87.506
bonds (distance) P-C4' energy: -100.563
flat angles C4'-P-C4' energy: -83.356
flat angles P-C4'-P energy: -46.556
tors. eta vs tors. theta energy: 24.357
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: 1, replica: 9
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -2119.208520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.208520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.208520 (E_RNA)
where:
Base-Base interactions energy: -1490.825
where: short stacking energy: -615.938
Base-Backbone interact. energy: 0.778
local terms energy: -629.161915
where:
bonds (distance) C4'-P energy: -108.366
bonds (distance) P-C4' energy: -123.878
flat angles C4'-P-C4' energy: -134.408
flat angles P-C4'-P energy: -87.700
tors. eta vs tors. theta energy: -174.810
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: 8
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1953.227674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.227674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.227674 (E_RNA)
where:
Base-Base interactions energy: -1344.651
where: short stacking energy: -557.761
Base-Backbone interact. energy: 3.115
local terms energy: -611.691585
where:
bonds (distance) C4'-P energy: -117.683
bonds (distance) P-C4' energy: -116.479
flat angles C4'-P-C4' energy: -123.429
flat angles P-C4'-P energy: -95.862
tors. eta vs tors. theta energy: -158.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1966.155307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.155307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.155307 (E_RNA)
where:
Base-Base interactions energy: -1363.800
where: short stacking energy: -559.820
Base-Backbone interact. energy: -4.780
local terms energy: -597.575553
where:
bonds (distance) C4'-P energy: -106.077
bonds (distance) P-C4' energy: -117.973
flat angles C4'-P-C4' energy: -127.815
flat angles P-C4'-P energy: -83.490
tors. eta vs tors. theta energy: -162.220
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: 6
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1866.262162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.262162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.262162 (E_RNA)
where:
Base-Base interactions energy: -1284.085
where: short stacking energy: -533.613
Base-Backbone interact. energy: -4.559
local terms energy: -577.618139
where:
bonds (distance) C4'-P energy: -100.208
bonds (distance) P-C4' energy: -117.791
flat angles C4'-P-C4' energy: -130.744
flat angles P-C4'-P energy: -67.018
tors. eta vs tors. theta energy: -161.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1760.788883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.788883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.788883 (E_RNA)
where:
Base-Base interactions energy: -1215.505
where: short stacking energy: -511.685
Base-Backbone interact. energy: -3.161
local terms energy: -542.123295
where:
bonds (distance) C4'-P energy: -104.780
bonds (distance) P-C4' energy: -99.741
flat angles C4'-P-C4' energy: -115.646
flat angles P-C4'-P energy: -81.640
tors. eta vs tors. theta energy: -140.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1526.112065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.112065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.112065 (E_RNA)
where:
Base-Base interactions energy: -1031.393
where: short stacking energy: -460.980
Base-Backbone interact. energy: -1.115
local terms energy: -493.604058
where:
bonds (distance) C4'-P energy: -103.804
bonds (distance) P-C4' energy: -93.984
flat angles C4'-P-C4' energy: -107.738
flat angles P-C4'-P energy: -69.450
tors. eta vs tors. theta energy: -118.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1303.395983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.395983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.395983 (E_RNA)
where:
Base-Base interactions energy: -860.444
where: short stacking energy: -404.426
Base-Backbone interact. energy: -3.254
local terms energy: -439.698101
where:
bonds (distance) C4'-P energy: -90.502
bonds (distance) P-C4' energy: -97.283
flat angles C4'-P-C4' energy: -80.166
flat angles P-C4'-P energy: -57.108
tors. eta vs tors. theta energy: -114.639
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: 10
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1084.411925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.411925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.411925 (E_RNA)
where:
Base-Base interactions energy: -682.336
where: short stacking energy: -309.073
Base-Backbone interact. energy: 2.375
local terms energy: -404.450923
where:
bonds (distance) C4'-P energy: -79.303
bonds (distance) P-C4' energy: -106.719
flat angles C4'-P-C4' energy: -96.988
flat angles P-C4'-P energy: -67.566
tors. eta vs tors. theta energy: -53.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -848.111084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.111084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.111084 (E_RNA)
where:
Base-Base interactions energy: -455.020
where: short stacking energy: -232.446
Base-Backbone interact. energy: -3.511
local terms energy: -389.580221
where:
bonds (distance) C4'-P energy: -109.326
bonds (distance) P-C4' energy: -99.101
flat angles C4'-P-C4' energy: -96.940
flat angles P-C4'-P energy: -63.968
tors. eta vs tors. theta energy: -20.245
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: 2
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -462.852939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.852939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.852939 (E_RNA)
where:
Base-Base interactions energy: -180.982
where: short stacking energy: -146.800
Base-Backbone interact. energy: 1.337
local terms energy: -283.208483
where:
bonds (distance) C4'-P energy: -86.617
bonds (distance) P-C4' energy: -99.845
flat angles C4'-P-C4' energy: -63.509
flat angles P-C4'-P energy: -45.932
tors. eta vs tors. theta energy: 12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -2109.689537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.689537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.689537 (E_RNA)
where:
Base-Base interactions energy: -1472.228
where: short stacking energy: -608.749
Base-Backbone interact. energy: -1.572
local terms energy: -635.889782
where:
bonds (distance) C4'-P energy: -122.031
bonds (distance) P-C4' energy: -117.568
flat angles C4'-P-C4' energy: -137.000
flat angles P-C4'-P energy: -86.349
tors. eta vs tors. theta energy: -172.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -1979.680969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.680969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.680969 (E_RNA)
where:
Base-Base interactions energy: -1367.441
where: short stacking energy: -565.712
Base-Backbone interact. energy: -1.356
local terms energy: -610.883250
where:
bonds (distance) C4'-P energy: -107.547
bonds (distance) P-C4' energy: -108.610
flat angles C4'-P-C4' energy: -131.361
flat angles P-C4'-P energy: -90.458
tors. eta vs tors. theta energy: -172.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1927.200708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.200708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.200708 (E_RNA)
where:
Base-Base interactions energy: -1355.283
where: short stacking energy: -570.030
Base-Backbone interact. energy: -2.975
local terms energy: -568.942931
where:
bonds (distance) C4'-P energy: -100.377
bonds (distance) P-C4' energy: -99.501
flat angles C4'-P-C4' energy: -122.274
flat angles P-C4'-P energy: -84.667
tors. eta vs tors. theta energy: -162.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -1901.789162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.789162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.789162 (E_RNA)
where:
Base-Base interactions energy: -1304.183
where: short stacking energy: -571.184
Base-Backbone interact. energy: 1.858
local terms energy: -599.463918
where:
bonds (distance) C4'-P energy: -106.209
bonds (distance) P-C4' energy: -115.602
flat angles C4'-P-C4' energy: -128.041
flat angles P-C4'-P energy: -79.345
tors. eta vs tors. theta energy: -170.267
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: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1718.178292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.178292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.178292 (E_RNA)
where:
Base-Base interactions energy: -1191.712
where: short stacking energy: -504.778
Base-Backbone interact. energy: 2.040
local terms energy: -528.506489
where:
bonds (distance) C4'-P energy: -91.905
bonds (distance) P-C4' energy: -111.454
flat angles C4'-P-C4' energy: -117.481
flat angles P-C4'-P energy: -80.205
tors. eta vs tors. theta energy: -127.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1570.776095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1570.776095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1570.776095 (E_RNA)
where:
Base-Base interactions energy: -1037.480
where: short stacking energy: -448.451
Base-Backbone interact. energy: -2.923
local terms energy: -530.373516
where:
bonds (distance) C4'-P energy: -110.793
bonds (distance) P-C4' energy: -86.954
flat angles C4'-P-C4' energy: -119.129
flat angles P-C4'-P energy: -83.214
tors. eta vs tors. theta energy: -130.283
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: 367
Temperature: 1.200000
Total energy: -1309.140288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.140288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.140288 (E_RNA)
where:
Base-Base interactions energy: -825.772
where: short stacking energy: -395.736
Base-Backbone interact. energy: -1.231
local terms energy: -482.136972
where:
bonds (distance) C4'-P energy: -97.081
bonds (distance) P-C4' energy: -96.177
flat angles C4'-P-C4' energy: -112.857
flat angles P-C4'-P energy: -63.515
tors. eta vs tors. theta energy: -112.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1067.252275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.252275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.252275 (E_RNA)
where:
Base-Base interactions energy: -656.359
where: short stacking energy: -319.570
Base-Backbone interact. energy: 1.235
local terms energy: -412.128512
where:
bonds (distance) C4'-P energy: -94.231
bonds (distance) P-C4' energy: -106.604
flat angles C4'-P-C4' energy: -87.867
flat angles P-C4'-P energy: -57.488
tors. eta vs tors. theta energy: -65.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -839.254635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.254635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.254635 (E_RNA)
where:
Base-Base interactions energy: -466.852
where: short stacking energy: -239.101
Base-Backbone interact. energy: -1.124
local terms energy: -371.279032
where:
bonds (distance) C4'-P energy: -83.266
bonds (distance) P-C4' energy: -111.962
flat angles C4'-P-C4' energy: -88.399
flat angles P-C4'-P energy: -62.270
tors. eta vs tors. theta energy: -25.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -465.698499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.698499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.698499 (E_RNA)
where:
Base-Base interactions energy: -172.405
where: short stacking energy: -147.565
Base-Backbone interact. energy: -1.124
local terms energy: -292.169087
where:
bonds (distance) C4'-P energy: -83.341
bonds (distance) P-C4' energy: -100.122
flat angles C4'-P-C4' energy: -77.053
flat angles P-C4'-P energy: -38.257
tors. eta vs tors. theta energy: 6.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -2112.554338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.554338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.554338 (E_RNA)
where:
Base-Base interactions energy: -1496.636
where: short stacking energy: -617.766
Base-Backbone interact. energy: 0.663
local terms energy: -616.581322
where:
bonds (distance) C4'-P energy: -120.198
bonds (distance) P-C4' energy: -107.206
flat angles C4'-P-C4' energy: -137.968
flat angles P-C4'-P energy: -75.231
tors. eta vs tors. theta energy: -175.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1999.092015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.092015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.092015 (E_RNA)
where:
Base-Base interactions energy: -1407.919
where: short stacking energy: -560.388
Base-Backbone interact. energy: -1.654
local terms energy: -589.518807
where:
bonds (distance) C4'-P energy: -109.849
bonds (distance) P-C4' energy: -112.832
flat angles C4'-P-C4' energy: -129.076
flat angles P-C4'-P energy: -77.848
tors. eta vs tors. theta energy: -159.913
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: 7
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1950.382560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.382560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.382560 (E_RNA)
where:
Base-Base interactions energy: -1356.789
where: short stacking energy: -587.587
Base-Backbone interact. energy: -2.223
local terms energy: -591.370359
where:
bonds (distance) C4'-P energy: -108.591
bonds (distance) P-C4' energy: -113.344
flat angles C4'-P-C4' energy: -124.573
flat angles P-C4'-P energy: -77.192
tors. eta vs tors. theta energy: -167.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -1857.614357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.614357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.614357 (E_RNA)
where:
Base-Base interactions energy: -1293.311
where: short stacking energy: -530.566
Base-Backbone interact. energy: -3.359
local terms energy: -560.944772
where:
bonds (distance) C4'-P energy: -100.062
bonds (distance) P-C4' energy: -117.979
flat angles C4'-P-C4' energy: -119.916
flat angles P-C4'-P energy: -72.866
tors. eta vs tors. theta energy: -150.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1785.706591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.706591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.706591 (E_RNA)
where:
Base-Base interactions energy: -1227.067
where: short stacking energy: -483.322
Base-Backbone interact. energy: -1.644
local terms energy: -556.996517
where:
bonds (distance) C4'-P energy: -111.373
bonds (distance) P-C4' energy: -120.037
flat angles C4'-P-C4' energy: -115.988
flat angles P-C4'-P energy: -87.017
tors. eta vs tors. theta energy: -122.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1589.935677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.935677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.935677 (E_RNA)
where:
Base-Base interactions energy: -1068.715
where: short stacking energy: -488.021
Base-Backbone interact. energy: -1.074
local terms energy: -520.147191
where:
bonds (distance) C4'-P energy: -91.920
bonds (distance) P-C4' energy: -106.690
flat angles C4'-P-C4' energy: -114.492
flat angles P-C4'-P energy: -65.579
tors. eta vs tors. theta energy: -141.467
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: 3
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1377.913153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.913153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.913153 (E_RNA)
where:
Base-Base interactions energy: -895.079
where: short stacking energy: -434.751
Base-Backbone interact. energy: -1.452
local terms energy: -481.382435
where:
bonds (distance) C4'-P energy: -95.558
bonds (distance) P-C4' energy: -113.094
flat angles C4'-P-C4' energy: -98.796
flat angles P-C4'-P energy: -61.622
tors. eta vs tors. theta energy: -112.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1031.086296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.086296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.086296 (E_RNA)
where:
Base-Base interactions energy: -609.844
where: short stacking energy: -291.522
Base-Backbone interact. energy: -0.992
local terms energy: -420.249954
where:
bonds (distance) C4'-P energy: -111.365
bonds (distance) P-C4' energy: -109.389
flat angles C4'-P-C4' energy: -87.127
flat angles P-C4'-P energy: -58.659
tors. eta vs tors. theta energy: -53.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -823.395936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.395936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.395936 (E_RNA)
where:
Base-Base interactions energy: -460.083
where: short stacking energy: -243.023
Base-Backbone interact. energy: -1.839
local terms energy: -361.473539
where:
bonds (distance) C4'-P energy: -94.934
bonds (distance) P-C4' energy: -93.025
flat angles C4'-P-C4' energy: -85.657
flat angles P-C4'-P energy: -56.115
tors. eta vs tors. theta energy: -31.743
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: 2
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -463.701042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.701042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.701042 (E_RNA)
where:
Base-Base interactions energy: -158.507
where: short stacking energy: -115.548
Base-Backbone interact. energy: -1.260
local terms energy: -303.934354
where:
bonds (distance) C4'-P energy: -104.476
bonds (distance) P-C4' energy: -94.172
flat angles C4'-P-C4' energy: -83.630
flat angles P-C4'-P energy: -36.138
tors. eta vs tors. theta energy: 14.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -2087.024492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2087.024492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2087.024492 (E_RNA)
where:
Base-Base interactions energy: -1448.239
where: short stacking energy: -597.523
Base-Backbone interact. energy: 1.649
local terms energy: -640.435344
where:
bonds (distance) C4'-P energy: -122.601
bonds (distance) P-C4' energy: -121.490
flat angles C4'-P-C4' energy: -127.301
flat angles P-C4'-P energy: -95.595
tors. eta vs tors. theta energy: -173.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1964.104903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.104903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.104903 (E_RNA)
where:
Base-Base interactions energy: -1384.627
where: short stacking energy: -567.571
Base-Backbone interact. energy: -2.583
local terms energy: -576.893998
where:
bonds (distance) C4'-P energy: -98.220
bonds (distance) P-C4' energy: -115.971
flat angles C4'-P-C4' energy: -123.867
flat angles P-C4'-P energy: -74.954
tors. eta vs tors. theta energy: -163.882
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: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1940.325801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.325801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.325801 (E_RNA)
where:
Base-Base interactions energy: -1344.345
where: short stacking energy: -549.012
Base-Backbone interact. energy: 1.202
local terms energy: -597.183465
where:
bonds (distance) C4'-P energy: -118.598
bonds (distance) P-C4' energy: -126.645
flat angles C4'-P-C4' energy: -124.297
flat angles P-C4'-P energy: -67.593
tors. eta vs tors. theta energy: -160.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1857.759170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.759170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.759170 (E_RNA)
where:
Base-Base interactions energy: -1287.976
where: short stacking energy: -546.117
Base-Backbone interact. energy: 0.742
local terms energy: -570.525755
where:
bonds (distance) C4'-P energy: -99.412
bonds (distance) P-C4' energy: -110.514
flat angles C4'-P-C4' energy: -124.707
flat angles P-C4'-P energy: -77.686
tors. eta vs tors. theta energy: -158.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1765.924665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.924665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.924665 (E_RNA)
where:
Base-Base interactions energy: -1231.742
where: short stacking energy: -532.539
Base-Backbone interact. energy: 3.473
local terms energy: -537.655678
where:
bonds (distance) C4'-P energy: -104.549
bonds (distance) P-C4' energy: -107.033
flat angles C4'-P-C4' energy: -115.580
flat angles P-C4'-P energy: -68.483
tors. eta vs tors. theta energy: -142.011
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: -1526.105978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.105978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.105978 (E_RNA)
where:
Base-Base interactions energy: -1011.500
where: short stacking energy: -449.715
Base-Backbone interact. energy: 1.481
local terms energy: -516.086723
where:
bonds (distance) C4'-P energy: -100.540
bonds (distance) P-C4' energy: -98.934
flat angles C4'-P-C4' energy: -104.705
flat angles P-C4'-P energy: -82.263
tors. eta vs tors. theta energy: -129.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1352.878919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.878919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.878919 (E_RNA)
where:
Base-Base interactions energy: -877.347
where: short stacking energy: -388.852
Base-Backbone interact. energy: -2.480
local terms energy: -473.052193
where:
bonds (distance) C4'-P energy: -104.020
bonds (distance) P-C4' energy: -91.886
flat angles C4'-P-C4' energy: -91.915
flat angles P-C4'-P energy: -77.532
tors. eta vs tors. theta energy: -107.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1041.463273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.463273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.463273 (E_RNA)
where:
Base-Base interactions energy: -671.680
where: short stacking energy: -311.871
Base-Backbone interact. energy: 1.867
local terms energy: -371.649844
where:
bonds (distance) C4'-P energy: -86.407
bonds (distance) P-C4' energy: -70.607
flat angles C4'-P-C4' energy: -98.239
flat angles P-C4'-P energy: -64.502
tors. eta vs tors. theta energy: -51.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -835.468058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.468058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.468058 (E_RNA)
where:
Base-Base interactions energy: -484.212
where: short stacking energy: -254.682
Base-Backbone interact. energy: -1.617
local terms energy: -349.639470
where:
bonds (distance) C4'-P energy: -68.265
bonds (distance) P-C4' energy: -94.513
flat angles C4'-P-C4' energy: -95.136
flat angles P-C4'-P energy: -61.940
tors. eta vs tors. theta energy: -29.785
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: 2
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -488.233521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.233521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.233521 (E_RNA)
where:
Base-Base interactions energy: -199.894
where: short stacking energy: -133.538
Base-Backbone interact. energy: 4.197
local terms energy: -292.536401
where:
bonds (distance) C4'-P energy: -99.115
bonds (distance) P-C4' energy: -95.021
flat angles C4'-P-C4' energy: -80.256
flat angles P-C4'-P energy: -31.847
tors. eta vs tors. theta energy: 13.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -2075.692264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.692264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.692264 (E_RNA)
where:
Base-Base interactions energy: -1441.133
where: short stacking energy: -603.908
Base-Backbone interact. energy: 5.885
local terms energy: -640.444235
where:
bonds (distance) C4'-P energy: -111.043
bonds (distance) P-C4' energy: -119.963
flat angles C4'-P-C4' energy: -140.388
flat angles P-C4'-P energy: -102.416
tors. eta vs tors. theta energy: -166.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -1973.766918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.766918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.766918 (E_RNA)
where:
Base-Base interactions energy: -1370.276
where: short stacking energy: -563.219
Base-Backbone interact. energy: -0.095
local terms energy: -603.395291
where:
bonds (distance) C4'-P energy: -103.052
bonds (distance) P-C4' energy: -116.525
flat angles C4'-P-C4' energy: -133.247
flat angles P-C4'-P energy: -79.048
tors. eta vs tors. theta energy: -171.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1935.259968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.259968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.259968 (E_RNA)
where:
Base-Base interactions energy: -1338.396
where: short stacking energy: -562.679
Base-Backbone interact. energy: -3.833
local terms energy: -593.031478
where:
bonds (distance) C4'-P energy: -112.863
bonds (distance) P-C4' energy: -101.668
flat angles C4'-P-C4' energy: -124.379
flat angles P-C4'-P energy: -83.234
tors. eta vs tors. theta energy: -170.887
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: 6
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1893.970961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.970961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.970961 (E_RNA)
where:
Base-Base interactions energy: -1306.120
where: short stacking energy: -572.584
Base-Backbone interact. energy: -4.138
local terms energy: -583.713067
where:
bonds (distance) C4'-P energy: -106.610
bonds (distance) P-C4' energy: -112.413
flat angles C4'-P-C4' energy: -128.968
flat angles P-C4'-P energy: -65.366
tors. eta vs tors. theta energy: -170.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1776.240240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.240240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.240240 (E_RNA)
where:
Base-Base interactions energy: -1227.263
where: short stacking energy: -518.218
Base-Backbone interact. energy: -4.326
local terms energy: -544.651202
where:
bonds (distance) C4'-P energy: -100.137
bonds (distance) P-C4' energy: -110.587
flat angles C4'-P-C4' energy: -110.508
flat angles P-C4'-P energy: -90.001
tors. eta vs tors. theta energy: -133.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1519.291131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.291131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.291131 (E_RNA)
where:
Base-Base interactions energy: -1029.423
where: short stacking energy: -474.194
Base-Backbone interact. energy: 0.341
local terms energy: -490.209615
where:
bonds (distance) C4'-P energy: -76.279
bonds (distance) P-C4' energy: -91.627
flat angles C4'-P-C4' energy: -117.201
flat angles P-C4'-P energy: -81.222
tors. eta vs tors. theta energy: -123.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1267.784025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.784025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.784025 (E_RNA)
where:
Base-Base interactions energy: -835.739
where: short stacking energy: -362.013
Base-Backbone interact. energy: -0.699
local terms energy: -431.346559
where:
bonds (distance) C4'-P energy: -86.634
bonds (distance) P-C4' energy: -94.171
flat angles C4'-P-C4' energy: -106.755
flat angles P-C4'-P energy: -62.109
tors. eta vs tors. theta energy: -81.676
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: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1079.462566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.462566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.462566 (E_RNA)
where:
Base-Base interactions energy: -664.133
where: short stacking energy: -308.291
Base-Backbone interact. energy: -1.097
local terms energy: -414.233061
where:
bonds (distance) C4'-P energy: -102.133
bonds (distance) P-C4' energy: -83.340
flat angles C4'-P-C4' energy: -92.692
flat angles P-C4'-P energy: -65.230
tors. eta vs tors. theta energy: -70.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -854.938064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.938064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.938064 (E_RNA)
where:
Base-Base interactions energy: -491.943
where: short stacking energy: -238.727
Base-Backbone interact. energy: 0.551
local terms energy: -363.546083
where:
bonds (distance) C4'-P energy: -84.206
bonds (distance) P-C4' energy: -99.819
flat angles C4'-P-C4' energy: -85.605
flat angles P-C4'-P energy: -66.398
tors. eta vs tors. theta energy: -27.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -523.590439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.590439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.590439 (E_RNA)
where:
Base-Base interactions energy: -209.680
where: short stacking energy: -146.261
Base-Backbone interact. energy: -2.054
local terms energy: -311.855690
where:
bonds (distance) C4'-P energy: -105.220
bonds (distance) P-C4' energy: -90.129
flat angles C4'-P-C4' energy: -87.022
flat angles P-C4'-P energy: -38.137
tors. eta vs tors. theta energy: 8.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -2111.395621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.395621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.395621 (E_RNA)
where:
Base-Base interactions energy: -1490.100
where: short stacking energy: -604.685
Base-Backbone interact. energy: -0.199
local terms energy: -621.096863
where:
bonds (distance) C4'-P energy: -115.097
bonds (distance) P-C4' energy: -112.434
flat angles C4'-P-C4' energy: -134.283
flat angles P-C4'-P energy: -92.580
tors. eta vs tors. theta energy: -166.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -2018.458964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2018.458964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2018.458964 (E_RNA)
where:
Base-Base interactions energy: -1409.318
where: short stacking energy: -584.520
Base-Backbone interact. energy: -4.293
local terms energy: -604.847168
where:
bonds (distance) C4'-P energy: -111.166
bonds (distance) P-C4' energy: -112.386
flat angles C4'-P-C4' energy: -126.046
flat angles P-C4'-P energy: -77.573
tors. eta vs tors. theta energy: -177.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1968.526279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.526279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.526279 (E_RNA)
where:
Base-Base interactions energy: -1352.248
where: short stacking energy: -562.058
Base-Backbone interact. energy: 1.132
local terms energy: -617.409561
where:
bonds (distance) C4'-P energy: -103.794
bonds (distance) P-C4' energy: -121.069
flat angles C4'-P-C4' energy: -134.737
flat angles P-C4'-P energy: -85.038
tors. eta vs tors. theta energy: -172.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1877.526382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.526382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.526382 (E_RNA)
where:
Base-Base interactions energy: -1296.739
where: short stacking energy: -555.358
Base-Backbone interact. energy: 3.312
local terms energy: -584.099510
where:
bonds (distance) C4'-P energy: -112.331
bonds (distance) P-C4' energy: -112.433
flat angles C4'-P-C4' energy: -121.097
flat angles P-C4'-P energy: -72.448
tors. eta vs tors. theta energy: -165.791
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: 5
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1744.055259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.055259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.055259 (E_RNA)
where:
Base-Base interactions energy: -1242.532
where: short stacking energy: -510.095
Base-Backbone interact. energy: 0.744
local terms energy: -502.266473
where:
bonds (distance) C4'-P energy: -92.855
bonds (distance) P-C4' energy: -110.412
flat angles C4'-P-C4' energy: -98.654
flat angles P-C4'-P energy: -70.335
tors. eta vs tors. theta energy: -130.011
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: 371
Temperature: 1.150000
Total energy: -1498.559562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.559562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.559562 (E_RNA)
where:
Base-Base interactions energy: -976.912
where: short stacking energy: -430.983
Base-Backbone interact. energy: -0.497
local terms energy: -521.150342
where:
bonds (distance) C4'-P energy: -90.841
bonds (distance) P-C4' energy: -116.108
flat angles C4'-P-C4' energy: -108.848
flat angles P-C4'-P energy: -87.141
tors. eta vs tors. theta energy: -118.211
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: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1296.225861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.225861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.225861 (E_RNA)
where:
Base-Base interactions energy: -835.638
where: short stacking energy: -362.394
Base-Backbone interact. energy: -1.156
local terms energy: -459.431808
where:
bonds (distance) C4'-P energy: -78.110
bonds (distance) P-C4' energy: -105.364
flat angles C4'-P-C4' energy: -106.424
flat angles P-C4'-P energy: -77.170
tors. eta vs tors. theta energy: -92.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1047.067724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.067724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.067724 (E_RNA)
where:
Base-Base interactions energy: -649.232
where: short stacking energy: -319.452
Base-Backbone interact. energy: -0.235
local terms energy: -397.601061
where:
bonds (distance) C4'-P energy: -83.219
bonds (distance) P-C4' energy: -85.435
flat angles C4'-P-C4' energy: -110.770
flat angles P-C4'-P energy: -59.728
tors. eta vs tors. theta energy: -58.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -856.345716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.345716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.345716 (E_RNA)
where:
Base-Base interactions energy: -477.665
where: short stacking energy: -227.067
Base-Backbone interact. energy: -5.265
local terms energy: -373.415733
where:
bonds (distance) C4'-P energy: -100.570
bonds (distance) P-C4' energy: -104.175
flat angles C4'-P-C4' energy: -93.735
flat angles P-C4'-P energy: -47.390
tors. eta vs tors. theta energy: -27.546
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: 2
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -526.524127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.524127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.524127 (E_RNA)
where:
Base-Base interactions energy: -224.618
where: short stacking energy: -152.415
Base-Backbone interact. energy: -2.644
local terms energy: -299.262651
where:
bonds (distance) C4'-P energy: -87.343
bonds (distance) P-C4' energy: -96.257
flat angles C4'-P-C4' energy: -82.669
flat angles P-C4'-P energy: -46.892
tors. eta vs tors. theta energy: 13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -2119.600686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.600686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.600686 (E_RNA)
where:
Base-Base interactions energy: -1511.905
where: short stacking energy: -612.696
Base-Backbone interact. energy: 3.051
local terms energy: -610.746698
where:
bonds (distance) C4'-P energy: -121.847
bonds (distance) P-C4' energy: -103.477
flat angles C4'-P-C4' energy: -123.796
flat angles P-C4'-P energy: -92.727
tors. eta vs tors. theta energy: -168.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1994.167328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.167328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.167328 (E_RNA)
where:
Base-Base interactions energy: -1403.698
where: short stacking energy: -571.089
Base-Backbone interact. energy: -0.607
local terms energy: -589.862185
where:
bonds (distance) C4'-P energy: -115.571
bonds (distance) P-C4' energy: -110.980
flat angles C4'-P-C4' energy: -120.289
flat angles P-C4'-P energy: -76.195
tors. eta vs tors. theta energy: -166.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1926.348984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.348984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.348984 (E_RNA)
where:
Base-Base interactions energy: -1329.875
where: short stacking energy: -550.496
Base-Backbone interact. energy: -0.914
local terms energy: -595.560241
where:
bonds (distance) C4'-P energy: -108.721
bonds (distance) P-C4' energy: -111.718
flat angles C4'-P-C4' energy: -125.938
flat angles P-C4'-P energy: -90.885
tors. eta vs tors. theta energy: -158.298
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: 6
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1829.805352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.805352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.805352 (E_RNA)
where:
Base-Base interactions energy: -1273.143
where: short stacking energy: -551.584
Base-Backbone interact. energy: 0.288
local terms energy: -556.950537
where:
bonds (distance) C4'-P energy: -110.243
bonds (distance) P-C4' energy: -91.996
flat angles C4'-P-C4' energy: -123.831
flat angles P-C4'-P energy: -62.348
tors. eta vs tors. theta energy: -168.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1747.989258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.989258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.989258 (E_RNA)
where:
Base-Base interactions energy: -1201.839
where: short stacking energy: -507.138
Base-Backbone interact. energy: -1.074
local terms energy: -545.075932
where:
bonds (distance) C4'-P energy: -103.963
bonds (distance) P-C4' energy: -107.839
flat angles C4'-P-C4' energy: -116.767
flat angles P-C4'-P energy: -76.004
tors. eta vs tors. theta energy: -140.503
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: 1
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1545.592117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.592117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.592117 (E_RNA)
where:
Base-Base interactions energy: -1039.615
where: short stacking energy: -426.050
Base-Backbone interact. energy: -2.135
local terms energy: -503.842608
where:
bonds (distance) C4'-P energy: -104.730
bonds (distance) P-C4' energy: -102.902
flat angles C4'-P-C4' energy: -103.546
flat angles P-C4'-P energy: -74.566
tors. eta vs tors. theta energy: -118.099
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: 372
Temperature: 1.200000
Total energy: -1381.227949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.227949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.227949 (E_RNA)
where:
Base-Base interactions energy: -924.803
where: short stacking energy: -404.057
Base-Backbone interact. energy: -4.550
local terms energy: -451.874962
where:
bonds (distance) C4'-P energy: -99.347
bonds (distance) P-C4' energy: -90.660
flat angles C4'-P-C4' energy: -99.945
flat angles P-C4'-P energy: -49.415
tors. eta vs tors. theta energy: -112.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1095.433160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.433160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.433160 (E_RNA)
where:
Base-Base interactions energy: -670.073
where: short stacking energy: -320.521
Base-Backbone interact. energy: -2.243
local terms energy: -423.117716
where:
bonds (distance) C4'-P energy: -114.081
bonds (distance) P-C4' energy: -91.338
flat angles C4'-P-C4' energy: -96.203
flat angles P-C4'-P energy: -56.144
tors. eta vs tors. theta energy: -65.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -824.926432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.926432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.926432 (E_RNA)
where:
Base-Base interactions energy: -470.094
where: short stacking energy: -227.883
Base-Backbone interact. energy: 0.815
local terms energy: -355.647609
where:
bonds (distance) C4'-P energy: -86.769
bonds (distance) P-C4' energy: -116.694
flat angles C4'-P-C4' energy: -87.824
flat angles P-C4'-P energy: -62.589
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -564.223438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.223438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.223438 (E_RNA)
where:
Base-Base interactions energy: -254.786
where: short stacking energy: -186.476
Base-Backbone interact. energy: 1.234
local terms energy: -310.671540
where:
bonds (distance) C4'-P energy: -68.977
bonds (distance) P-C4' energy: -102.160
flat angles C4'-P-C4' energy: -90.791
flat angles P-C4'-P energy: -46.950
tors. eta vs tors. theta energy: -1.793
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: 9
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -2129.337349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2129.337349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2129.337349 (E_RNA)
where:
Base-Base interactions energy: -1492.817
where: short stacking energy: -613.978
Base-Backbone interact. energy: -0.391
local terms energy: -636.128809
where:
bonds (distance) C4'-P energy: -111.160
bonds (distance) P-C4' energy: -120.201
flat angles C4'-P-C4' energy: -140.883
flat angles P-C4'-P energy: -88.001
tors. eta vs tors. theta energy: -175.884
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: 2, replica: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -2022.532768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.532768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.532768 (E_RNA)
where:
Base-Base interactions energy: -1428.251
where: short stacking energy: -576.299
Base-Backbone interact. energy: -4.090
local terms energy: -590.191101
where:
bonds (distance) C4'-P energy: -105.812
bonds (distance) P-C4' energy: -108.933
flat angles C4'-P-C4' energy: -121.077
flat angles P-C4'-P energy: -84.104
tors. eta vs tors. theta energy: -170.266
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: 373
Temperature: 1.000000
Total energy: -1932.498409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.498409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.498409 (E_RNA)
where:
Base-Base interactions energy: -1352.652
where: short stacking energy: -549.560
Base-Backbone interact. energy: -4.264
local terms energy: -575.582963
where:
bonds (distance) C4'-P energy: -96.888
bonds (distance) P-C4' energy: -109.573
flat angles C4'-P-C4' energy: -132.930
flat angles P-C4'-P energy: -81.263
tors. eta vs tors. theta energy: -154.929
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: 6
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1861.273753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.273753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.273753 (E_RNA)
where:
Base-Base interactions energy: -1292.885
where: short stacking energy: -538.530
Base-Backbone interact. energy: -2.460
local terms energy: -565.928746
where:
bonds (distance) C4'-P energy: -104.640
bonds (distance) P-C4' energy: -110.617
flat angles C4'-P-C4' energy: -124.142
flat angles P-C4'-P energy: -76.740
tors. eta vs tors. theta energy: -149.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1743.027312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.027312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.027312 (E_RNA)
where:
Base-Base interactions energy: -1188.331
where: short stacking energy: -477.218
Base-Backbone interact. energy: -2.152
local terms energy: -552.543716
where:
bonds (distance) C4'-P energy: -110.095
bonds (distance) P-C4' energy: -104.595
flat angles C4'-P-C4' energy: -120.603
flat angles P-C4'-P energy: -79.958
tors. eta vs tors. theta energy: -137.293
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: 1
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1509.490308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.490308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.490308 (E_RNA)
where:
Base-Base interactions energy: -1007.396
where: short stacking energy: -443.215
Base-Backbone interact. energy: -1.412
local terms energy: -500.682610
where:
bonds (distance) C4'-P energy: -87.077
bonds (distance) P-C4' energy: -105.749
flat angles C4'-P-C4' energy: -118.058
flat angles P-C4'-P energy: -74.151
tors. eta vs tors. theta energy: -115.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1369.875795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.875795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.875795 (E_RNA)
where:
Base-Base interactions energy: -913.176
where: short stacking energy: -388.739
Base-Backbone interact. energy: 3.701
local terms energy: -460.401044
where:
bonds (distance) C4'-P energy: -101.899
bonds (distance) P-C4' energy: -92.346
flat angles C4'-P-C4' energy: -98.071
flat angles P-C4'-P energy: -71.362
tors. eta vs tors. theta energy: -96.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1085.643280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.643280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.643280 (E_RNA)
where:
Base-Base interactions energy: -671.180
where: short stacking energy: -310.466
Base-Backbone interact. energy: 0.779
local terms energy: -415.241654
where:
bonds (distance) C4'-P energy: -110.344
bonds (distance) P-C4' energy: -93.652
flat angles C4'-P-C4' energy: -105.480
flat angles P-C4'-P energy: -54.477
tors. eta vs tors. theta energy: -51.289
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: 4
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -834.965019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.965019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.965019 (E_RNA)
where:
Base-Base interactions energy: -480.659
where: short stacking energy: -244.317
Base-Backbone interact. energy: 4.073
local terms energy: -358.378925
where:
bonds (distance) C4'-P energy: -93.830
bonds (distance) P-C4' energy: -98.410
flat angles C4'-P-C4' energy: -90.677
flat angles P-C4'-P energy: -49.521
tors. eta vs tors. theta energy: -25.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -537.397449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.397449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.397449 (E_RNA)
where:
Base-Base interactions energy: -257.698
where: short stacking energy: -133.586
Base-Backbone interact. energy: -0.267
local terms energy: -279.432979
where:
bonds (distance) C4'-P energy: -81.039
bonds (distance) P-C4' energy: -98.799
flat angles C4'-P-C4' energy: -69.392
flat angles P-C4'-P energy: -46.493
tors. eta vs tors. theta energy: 16.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -2105.111318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.111318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.111318 (E_RNA)
where:
Base-Base interactions energy: -1480.342
where: short stacking energy: -597.429
Base-Backbone interact. energy: -3.947
local terms energy: -620.823090
where:
bonds (distance) C4'-P energy: -106.081
bonds (distance) P-C4' energy: -115.973
flat angles C4'-P-C4' energy: -132.087
flat angles P-C4'-P energy: -90.471
tors. eta vs tors. theta energy: -176.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1995.664954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.664954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.664954 (E_RNA)
where:
Base-Base interactions energy: -1395.846
where: short stacking energy: -564.913
Base-Backbone interact. energy: -0.792
local terms energy: -599.026841
where:
bonds (distance) C4'-P energy: -111.927
bonds (distance) P-C4' energy: -125.297
flat angles C4'-P-C4' energy: -129.132
flat angles P-C4'-P energy: -65.894
tors. eta vs tors. theta energy: -166.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1939.384029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.384029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.384029 (E_RNA)
where:
Base-Base interactions energy: -1350.831
where: short stacking energy: -560.473
Base-Backbone interact. energy: -4.949
local terms energy: -583.604506
where:
bonds (distance) C4'-P energy: -103.379
bonds (distance) P-C4' energy: -108.414
flat angles C4'-P-C4' energy: -133.111
flat angles P-C4'-P energy: -74.793
tors. eta vs tors. theta energy: -163.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1872.195656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.195656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.195656 (E_RNA)
where:
Base-Base interactions energy: -1280.312
where: short stacking energy: -542.902
Base-Backbone interact. energy: -1.824
local terms energy: -590.058893
where:
bonds (distance) C4'-P energy: -103.290
bonds (distance) P-C4' energy: -112.877
flat angles C4'-P-C4' energy: -131.783
flat angles P-C4'-P energy: -85.547
tors. eta vs tors. theta energy: -156.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1765.633396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.633396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.633396 (E_RNA)
where:
Base-Base interactions energy: -1201.099
where: short stacking energy: -496.514
Base-Backbone interact. energy: -0.797
local terms energy: -563.737088
where:
bonds (distance) C4'-P energy: -110.281
bonds (distance) P-C4' energy: -100.341
flat angles C4'-P-C4' energy: -110.938
flat angles P-C4'-P energy: -95.252
tors. eta vs tors. theta energy: -146.925
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: 1
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1483.743593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.743593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.743593 (E_RNA)
where:
Base-Base interactions energy: -985.533
where: short stacking energy: -456.275
Base-Backbone interact. energy: -0.173
local terms energy: -498.037638
where:
bonds (distance) C4'-P energy: -95.951
bonds (distance) P-C4' energy: -94.347
flat angles C4'-P-C4' energy: -114.694
flat angles P-C4'-P energy: -69.307
tors. eta vs tors. theta energy: -123.738
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: 374
Temperature: 1.200000
Total energy: -1317.470156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.470156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.470156 (E_RNA)
where:
Base-Base interactions energy: -856.333
where: short stacking energy: -389.817
Base-Backbone interact. energy: -1.571
local terms energy: -459.565769
where:
bonds (distance) C4'-P energy: -96.651
bonds (distance) P-C4' energy: -103.855
flat angles C4'-P-C4' energy: -107.500
flat angles P-C4'-P energy: -63.559
tors. eta vs tors. theta energy: -88.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1087.720002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.720002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.720002 (E_RNA)
where:
Base-Base interactions energy: -669.107
where: short stacking energy: -301.005
Base-Backbone interact. energy: 1.247
local terms energy: -419.859488
where:
bonds (distance) C4'-P energy: -105.023
bonds (distance) P-C4' energy: -109.138
flat angles C4'-P-C4' energy: -100.004
flat angles P-C4'-P energy: -46.386
tors. eta vs tors. theta energy: -59.309
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: 4
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -899.597243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.597243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.597243 (E_RNA)
where:
Base-Base interactions energy: -519.206
where: short stacking energy: -246.837
Base-Backbone interact. energy: 9.570
local terms energy: -389.961099
where:
bonds (distance) C4'-P energy: -95.127
bonds (distance) P-C4' energy: -106.158
flat angles C4'-P-C4' energy: -99.199
flat angles P-C4'-P energy: -71.729
tors. eta vs tors. theta energy: -17.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -464.919363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.919363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.919363 (E_RNA)
where:
Base-Base interactions energy: -138.767
where: short stacking energy: -113.189
Base-Backbone interact. energy: 3.191
local terms energy: -329.343105
where:
bonds (distance) C4'-P energy: -97.345
bonds (distance) P-C4' energy: -99.881
flat angles C4'-P-C4' energy: -80.400
flat angles P-C4'-P energy: -70.727
tors. eta vs tors. theta energy: 19.011
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: 9
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -2098.772022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.772022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.772022 (E_RNA)
where:
Base-Base interactions energy: -1465.609
where: short stacking energy: -588.559
Base-Backbone interact. energy: -3.360
local terms energy: -629.803194
where:
bonds (distance) C4'-P energy: -113.951
bonds (distance) P-C4' energy: -109.153
flat angles C4'-P-C4' energy: -138.711
flat angles P-C4'-P energy: -96.079
tors. eta vs tors. theta energy: -171.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1982.731377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.731377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.731377 (E_RNA)
where:
Base-Base interactions energy: -1376.949
where: short stacking energy: -567.599
Base-Backbone interact. energy: -2.359
local terms energy: -603.422981
where:
bonds (distance) C4'-P energy: -112.942
bonds (distance) P-C4' energy: -112.188
flat angles C4'-P-C4' energy: -130.024
flat angles P-C4'-P energy: -80.947
tors. eta vs tors. theta energy: -167.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1931.876775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.876775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.876775 (E_RNA)
where:
Base-Base interactions energy: -1357.318
where: short stacking energy: -549.722
Base-Backbone interact. energy: -1.007
local terms energy: -573.551842
where:
bonds (distance) C4'-P energy: -104.120
bonds (distance) P-C4' energy: -109.305
flat angles C4'-P-C4' energy: -123.214
flat angles P-C4'-P energy: -76.408
tors. eta vs tors. theta energy: -160.505
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: 7
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1841.972061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.972061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.972061 (E_RNA)
where:
Base-Base interactions energy: -1250.140
where: short stacking energy: -517.302
Base-Backbone interact. energy: -4.788
local terms energy: -587.044352
where:
bonds (distance) C4'-P energy: -108.709
bonds (distance) P-C4' energy: -101.150
flat angles C4'-P-C4' energy: -133.423
flat angles P-C4'-P energy: -81.594
tors. eta vs tors. theta energy: -162.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1780.782616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.782616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.782616 (E_RNA)
where:
Base-Base interactions energy: -1234.127
where: short stacking energy: -501.945
Base-Backbone interact. energy: -1.953
local terms energy: -544.702467
where:
bonds (distance) C4'-P energy: -93.614
bonds (distance) P-C4' energy: -106.208
flat angles C4'-P-C4' energy: -127.148
flat angles P-C4'-P energy: -80.206
tors. eta vs tors. theta energy: -137.527
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: 375
Temperature: 1.150000
Total energy: -1456.790042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.790042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.790042 (E_RNA)
where:
Base-Base interactions energy: -969.827
where: short stacking energy: -411.427
Base-Backbone interact. energy: 0.620
local terms energy: -487.583531
where:
bonds (distance) C4'-P energy: -81.633
bonds (distance) P-C4' energy: -119.420
flat angles C4'-P-C4' energy: -110.551
flat angles P-C4'-P energy: -75.352
tors. eta vs tors. theta energy: -100.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1349.744318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.744318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.744318 (E_RNA)
where:
Base-Base interactions energy: -902.978
where: short stacking energy: -426.548
Base-Backbone interact. energy: -2.326
local terms energy: -444.439941
where:
bonds (distance) C4'-P energy: -95.247
bonds (distance) P-C4' energy: -91.807
flat angles C4'-P-C4' energy: -112.044
flat angles P-C4'-P energy: -45.834
tors. eta vs tors. theta energy: -99.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1075.152377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.152377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.152377 (E_RNA)
where:
Base-Base interactions energy: -651.423
where: short stacking energy: -315.933
Base-Backbone interact. energy: -0.438
local terms energy: -423.291029
where:
bonds (distance) C4'-P energy: -102.614
bonds (distance) P-C4' energy: -95.619
flat angles C4'-P-C4' energy: -90.139
flat angles P-C4'-P energy: -64.400
tors. eta vs tors. theta energy: -70.519
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: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -851.846879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.846879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.846879 (E_RNA)
where:
Base-Base interactions energy: -479.552
where: short stacking energy: -223.677
Base-Backbone interact. energy: -3.207
local terms energy: -369.088116
where:
bonds (distance) C4'-P energy: -99.902
bonds (distance) P-C4' energy: -98.065
flat angles C4'-P-C4' energy: -84.052
flat angles P-C4'-P energy: -62.236
tors. eta vs tors. theta energy: -24.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -456.004474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.004474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.004474 (E_RNA)
where:
Base-Base interactions energy: -164.863
where: short stacking energy: -143.608
Base-Backbone interact. energy: -2.978
local terms energy: -288.163421
where:
bonds (distance) C4'-P energy: -91.747
bonds (distance) P-C4' energy: -108.323
flat angles C4'-P-C4' energy: -76.861
flat angles P-C4'-P energy: -33.854
tors. eta vs tors. theta energy: 22.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -2094.091367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.091367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.091367 (E_RNA)
where:
Base-Base interactions energy: -1465.826
where: short stacking energy: -595.646
Base-Backbone interact. energy: -2.275
local terms energy: -625.989850
where:
bonds (distance) C4'-P energy: -113.168
bonds (distance) P-C4' energy: -117.763
flat angles C4'-P-C4' energy: -134.530
flat angles P-C4'-P energy: -97.120
tors. eta vs tors. theta energy: -163.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1984.349956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.349956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.349956 (E_RNA)
where:
Base-Base interactions energy: -1368.582
where: short stacking energy: -567.880
Base-Backbone interact. energy: -3.118
local terms energy: -612.650093
where:
bonds (distance) C4'-P energy: -120.262
bonds (distance) P-C4' energy: -118.541
flat angles C4'-P-C4' energy: -128.181
flat angles P-C4'-P energy: -78.679
tors. eta vs tors. theta energy: -166.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1905.507658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.507658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.507658 (E_RNA)
where:
Base-Base interactions energy: -1326.966
where: short stacking energy: -535.794
Base-Backbone interact. energy: 0.252
local terms energy: -578.793385
where:
bonds (distance) C4'-P energy: -108.920
bonds (distance) P-C4' energy: -99.323
flat angles C4'-P-C4' energy: -133.614
flat angles P-C4'-P energy: -71.035
tors. eta vs tors. theta energy: -165.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1861.539702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.539702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.539702 (E_RNA)
where:
Base-Base interactions energy: -1290.257
where: short stacking energy: -556.126
Base-Backbone interact. energy: -0.359
local terms energy: -570.924327
where:
bonds (distance) C4'-P energy: -106.315
bonds (distance) P-C4' energy: -111.220
flat angles C4'-P-C4' energy: -121.097
flat angles P-C4'-P energy: -64.537
tors. eta vs tors. theta energy: -167.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1757.906292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.906292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.906292 (E_RNA)
where:
Base-Base interactions energy: -1223.299
where: short stacking energy: -502.669
Base-Backbone interact. energy: 5.958
local terms energy: -540.566227
where:
bonds (distance) C4'-P energy: -95.424
bonds (distance) P-C4' energy: -108.216
flat angles C4'-P-C4' energy: -118.070
flat angles P-C4'-P energy: -79.768
tors. eta vs tors. theta energy: -139.088
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: 6, replica: 1
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1519.292140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.292140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.292140 (E_RNA)
where:
Base-Base interactions energy: -1007.276
where: short stacking energy: -438.818
Base-Backbone interact. energy: -1.430
local terms energy: -510.586318
where:
bonds (distance) C4'-P energy: -82.822
bonds (distance) P-C4' energy: -106.934
flat angles C4'-P-C4' energy: -122.075
flat angles P-C4'-P energy: -72.831
tors. eta vs tors. theta energy: -125.925
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: 376
Temperature: 1.200000
Total energy: -1408.294742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.294742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.294742 (E_RNA)
where:
Base-Base interactions energy: -928.185
where: short stacking energy: -399.748
Base-Backbone interact. energy: -1.109
local terms energy: -479.000694
where:
bonds (distance) C4'-P energy: -105.105
bonds (distance) P-C4' energy: -108.803
flat angles C4'-P-C4' energy: -99.919
flat angles P-C4'-P energy: -56.556
tors. eta vs tors. theta energy: -108.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1034.538430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.538430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.538430 (E_RNA)
where:
Base-Base interactions energy: -613.674
where: short stacking energy: -287.976
Base-Backbone interact. energy: 1.494
local terms energy: -422.358352
where:
bonds (distance) C4'-P energy: -102.468
bonds (distance) P-C4' energy: -102.074
flat angles C4'-P-C4' energy: -88.670
flat angles P-C4'-P energy: -69.285
tors. eta vs tors. theta energy: -59.862
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: 4
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -873.680889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.680889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.680889 (E_RNA)
where:
Base-Base interactions energy: -503.245
where: short stacking energy: -225.918
Base-Backbone interact. energy: -5.845
local terms energy: -364.591089
where:
bonds (distance) C4'-P energy: -82.793
bonds (distance) P-C4' energy: -102.319
flat angles C4'-P-C4' energy: -95.220
flat angles P-C4'-P energy: -60.874
tors. eta vs tors. theta energy: -23.385
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: 2
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -451.906752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.906752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.906752 (E_RNA)
where:
Base-Base interactions energy: -156.266
where: short stacking energy: -130.605
Base-Backbone interact. energy: 8.930
local terms energy: -304.570580
where:
bonds (distance) C4'-P energy: -79.725
bonds (distance) P-C4' energy: -102.823
flat angles C4'-P-C4' energy: -98.465
flat angles P-C4'-P energy: -52.423
tors. eta vs tors. theta energy: 28.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -2103.555702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.555702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.555702 (E_RNA)
where:
Base-Base interactions energy: -1482.531
where: short stacking energy: -597.822
Base-Backbone interact. energy: -1.517
local terms energy: -619.507895
where:
bonds (distance) C4'-P energy: -118.292
bonds (distance) P-C4' energy: -116.320
flat angles C4'-P-C4' energy: -133.463
flat angles P-C4'-P energy: -80.889
tors. eta vs tors. theta energy: -170.545
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: 2, replica: 8
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1995.716112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.716112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.716112 (E_RNA)
where:
Base-Base interactions energy: -1396.094
where: short stacking energy: -548.087
Base-Backbone interact. energy: -5.083
local terms energy: -594.538694
where:
bonds (distance) C4'-P energy: -109.356
bonds (distance) P-C4' energy: -122.174
flat angles C4'-P-C4' energy: -125.873
flat angles P-C4'-P energy: -78.718
tors. eta vs tors. theta energy: -158.418
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: 6
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1924.179378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.179378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.179378 (E_RNA)
where:
Base-Base interactions energy: -1320.535
where: short stacking energy: -526.385
Base-Backbone interact. energy: 2.119
local terms energy: -605.764167
where:
bonds (distance) C4'-P energy: -109.909
bonds (distance) P-C4' energy: -112.238
flat angles C4'-P-C4' energy: -126.211
flat angles P-C4'-P energy: -92.223
tors. eta vs tors. theta energy: -165.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1821.926903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.926903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.926903 (E_RNA)
where:
Base-Base interactions energy: -1232.178
where: short stacking energy: -523.566
Base-Backbone interact. energy: -4.302
local terms energy: -585.446992
where:
bonds (distance) C4'-P energy: -103.565
bonds (distance) P-C4' energy: -109.447
flat angles C4'-P-C4' energy: -124.592
flat angles P-C4'-P energy: -89.294
tors. eta vs tors. theta energy: -158.548
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: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1749.591775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.591775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.591775 (E_RNA)
where:
Base-Base interactions energy: -1213.132
where: short stacking energy: -511.122
Base-Backbone interact. energy: -2.003
local terms energy: -534.456866
where:
bonds (distance) C4'-P energy: -94.140
bonds (distance) P-C4' energy: -101.385
flat angles C4'-P-C4' energy: -118.307
flat angles P-C4'-P energy: -77.824
tors. eta vs tors. theta energy: -142.801
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: 377
Temperature: 1.150000
Total energy: -1479.500112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.500112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.500112 (E_RNA)
where:
Base-Base interactions energy: -991.777
where: short stacking energy: -445.960
Base-Backbone interact. energy: -3.033
local terms energy: -484.689614
where:
bonds (distance) C4'-P energy: -87.533
bonds (distance) P-C4' energy: -104.580
flat angles C4'-P-C4' energy: -105.392
flat angles P-C4'-P energy: -66.419
tors. eta vs tors. theta energy: -120.765
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: 377
Temperature: 1.200000
Total energy: -1363.413301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.413301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.413301 (E_RNA)
where:
Base-Base interactions energy: -912.648
where: short stacking energy: -396.731
Base-Backbone interact. energy: 1.194
local terms energy: -451.959659
where:
bonds (distance) C4'-P energy: -78.052
bonds (distance) P-C4' energy: -100.758
flat angles C4'-P-C4' energy: -99.784
flat angles P-C4'-P energy: -66.740
tors. eta vs tors. theta energy: -106.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1090.448901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.448901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.448901 (E_RNA)
where:
Base-Base interactions energy: -669.051
where: short stacking energy: -323.856
Base-Backbone interact. energy: -0.630
local terms energy: -420.768314
where:
bonds (distance) C4'-P energy: -104.285
bonds (distance) P-C4' energy: -103.853
flat angles C4'-P-C4' energy: -94.726
flat angles P-C4'-P energy: -55.466
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: 9, replica: 4
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -832.027720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.027720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.027720 (E_RNA)
where:
Base-Base interactions energy: -483.662
where: short stacking energy: -211.157
Base-Backbone interact. energy: -1.441
local terms energy: -346.924569
where:
bonds (distance) C4'-P energy: -115.943
bonds (distance) P-C4' energy: -94.417
flat angles C4'-P-C4' energy: -67.232
flat angles P-C4'-P energy: -48.183
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -427.165178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.165178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.165178 (E_RNA)
where:
Base-Base interactions energy: -129.915
where: short stacking energy: -111.316
Base-Backbone interact. energy: -3.181
local terms energy: -294.068790
where:
bonds (distance) C4'-P energy: -87.622
bonds (distance) P-C4' energy: -100.679
flat angles C4'-P-C4' energy: -93.007
flat angles P-C4'-P energy: -40.193
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: 1, replica: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -2093.090679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.090679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.090679 (E_RNA)
where:
Base-Base interactions energy: -1462.723
where: short stacking energy: -600.195
Base-Backbone interact. energy: -2.721
local terms energy: -627.646501
where:
bonds (distance) C4'-P energy: -119.205
bonds (distance) P-C4' energy: -116.132
flat angles C4'-P-C4' energy: -133.501
flat angles P-C4'-P energy: -84.453
tors. eta vs tors. theta energy: -174.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1995.565313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.565313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.565313 (E_RNA)
where:
Base-Base interactions energy: -1376.127
where: short stacking energy: -539.191
Base-Backbone interact. energy: -2.677
local terms energy: -616.761249
where:
bonds (distance) C4'-P energy: -114.253
bonds (distance) P-C4' energy: -104.623
flat angles C4'-P-C4' energy: -136.384
flat angles P-C4'-P energy: -97.047
tors. eta vs tors. theta energy: -164.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1973.466990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.466990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.466990 (E_RNA)
where:
Base-Base interactions energy: -1361.410
where: short stacking energy: -571.553
Base-Backbone interact. energy: -3.376
local terms energy: -608.681763
where:
bonds (distance) C4'-P energy: -111.669
bonds (distance) P-C4' energy: -118.230
flat angles C4'-P-C4' energy: -131.614
flat angles P-C4'-P energy: -75.465
tors. eta vs tors. theta energy: -171.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1805.036608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.036608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.036608 (E_RNA)
where:
Base-Base interactions energy: -1236.858
where: short stacking energy: -516.862
Base-Backbone interact. energy: 1.688
local terms energy: -569.866882
where:
bonds (distance) C4'-P energy: -93.464
bonds (distance) P-C4' energy: -114.159
flat angles C4'-P-C4' energy: -120.502
flat angles P-C4'-P energy: -78.584
tors. eta vs tors. theta energy: -163.158
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: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1799.992245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.992245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.992245 (E_RNA)
where:
Base-Base interactions energy: -1235.770
where: short stacking energy: -511.973
Base-Backbone interact. energy: -4.372
local terms energy: -559.850377
where:
bonds (distance) C4'-P energy: -89.368
bonds (distance) P-C4' energy: -113.694
flat angles C4'-P-C4' energy: -123.468
flat angles P-C4'-P energy: -89.715
tors. eta vs tors. theta energy: -143.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1492.343335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.343335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.343335 (E_RNA)
where:
Base-Base interactions energy: -1021.017
where: short stacking energy: -435.837
Base-Backbone interact. energy: -3.608
local terms energy: -467.717592
where:
bonds (distance) C4'-P energy: -79.493
bonds (distance) P-C4' energy: -98.308
flat angles C4'-P-C4' energy: -103.339
flat angles P-C4'-P energy: -86.789
tors. eta vs tors. theta energy: -99.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1342.161735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.161735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.161735 (E_RNA)
where:
Base-Base interactions energy: -886.781
where: short stacking energy: -401.747
Base-Backbone interact. energy: -1.230
local terms energy: -454.149859
where:
bonds (distance) C4'-P energy: -104.720
bonds (distance) P-C4' energy: -89.753
flat angles C4'-P-C4' energy: -101.064
flat angles P-C4'-P energy: -55.150
tors. eta vs tors. theta energy: -103.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1045.906086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.906086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.906086 (E_RNA)
where:
Base-Base interactions energy: -605.444
where: short stacking energy: -268.607
Base-Backbone interact. energy: -1.506
local terms energy: -438.956138
where:
bonds (distance) C4'-P energy: -101.734
bonds (distance) P-C4' energy: -112.950
flat angles C4'-P-C4' energy: -93.905
flat angles P-C4'-P energy: -76.611
tors. eta vs tors. theta energy: -53.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -864.149720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.149720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.149720 (E_RNA)
where:
Base-Base interactions energy: -496.010
where: short stacking energy: -241.002
Base-Backbone interact. energy: 1.812
local terms energy: -369.952221
where:
bonds (distance) C4'-P energy: -90.347
bonds (distance) P-C4' energy: -100.725
flat angles C4'-P-C4' energy: -100.663
flat angles P-C4'-P energy: -52.411
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -456.925765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.925765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.925765 (E_RNA)
where:
Base-Base interactions energy: -160.400
where: short stacking energy: -131.446
Base-Backbone interact. energy: 2.957
local terms energy: -299.482954
where:
bonds (distance) C4'-P energy: -90.118
bonds (distance) P-C4' energy: -100.822
flat angles C4'-P-C4' energy: -72.009
flat angles P-C4'-P energy: -57.005
tors. eta vs tors. theta energy: 20.471
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: 379
Temperature: 0.900000
Total energy: -2120.300210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.300210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.300210 (E_RNA)
where:
Base-Base interactions energy: -1464.357
where: short stacking energy: -599.938
Base-Backbone interact. energy: -1.203
local terms energy: -654.740506
where:
bonds (distance) C4'-P energy: -122.373
bonds (distance) P-C4' energy: -122.785
flat angles C4'-P-C4' energy: -145.196
flat angles P-C4'-P energy: -86.248
tors. eta vs tors. theta energy: -178.138
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: 8
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1985.715211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.715211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.715211 (E_RNA)
where:
Base-Base interactions energy: -1372.264
where: short stacking energy: -563.008
Base-Backbone interact. energy: -3.232
local terms energy: -610.218644
where:
bonds (distance) C4'-P energy: -117.160
bonds (distance) P-C4' energy: -114.504
flat angles C4'-P-C4' energy: -127.875
flat angles P-C4'-P energy: -89.498
tors. eta vs tors. theta energy: -161.181
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: 3, replica: 6
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1934.553542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.553542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.553542 (E_RNA)
where:
Base-Base interactions energy: -1360.824
where: short stacking energy: -568.847
Base-Backbone interact. energy: -0.655
local terms energy: -573.074564
where:
bonds (distance) C4'-P energy: -107.498
bonds (distance) P-C4' energy: -105.912
flat angles C4'-P-C4' energy: -118.440
flat angles P-C4'-P energy: -71.659
tors. eta vs tors. theta energy: -169.565
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: 7
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1892.692616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.692616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.692616 (E_RNA)
where:
Base-Base interactions energy: -1291.988
where: short stacking energy: -542.553
Base-Backbone interact. energy: -1.182
local terms energy: -599.522855
where:
bonds (distance) C4'-P energy: -108.347
bonds (distance) P-C4' energy: -111.882
flat angles C4'-P-C4' energy: -125.327
flat angles P-C4'-P energy: -87.509
tors. eta vs tors. theta energy: -166.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1733.269434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.269434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.269434 (E_RNA)
where:
Base-Base interactions energy: -1200.264
where: short stacking energy: -508.750
Base-Backbone interact. energy: -1.048
local terms energy: -531.957929
where:
bonds (distance) C4'-P energy: -90.896
bonds (distance) P-C4' energy: -119.894
flat angles C4'-P-C4' energy: -116.667
flat angles P-C4'-P energy: -73.188
tors. eta vs tors. theta energy: -131.312
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: 6, replica: 1
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1529.998897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.998897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.998897 (E_RNA)
where:
Base-Base interactions energy: -1015.805
where: short stacking energy: -453.080
Base-Backbone interact. energy: -1.916
local terms energy: -512.277573
where:
bonds (distance) C4'-P energy: -93.195
bonds (distance) P-C4' energy: -115.823
flat angles C4'-P-C4' energy: -123.590
flat angles P-C4'-P energy: -64.481
tors. eta vs tors. theta energy: -115.189
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: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1321.731126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.731126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.731126 (E_RNA)
where:
Base-Base interactions energy: -853.438
where: short stacking energy: -363.151
Base-Backbone interact. energy: 0.914
local terms energy: -469.207763
where:
bonds (distance) C4'-P energy: -109.642
bonds (distance) P-C4' energy: -108.623
flat angles C4'-P-C4' energy: -113.560
flat angles P-C4'-P energy: -59.043
tors. eta vs tors. theta energy: -78.340
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: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1012.766712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.766712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.766712 (E_RNA)
where:
Base-Base interactions energy: -623.975
where: short stacking energy: -300.743
Base-Backbone interact. energy: 3.962
local terms energy: -392.754352
where:
bonds (distance) C4'-P energy: -84.321
bonds (distance) P-C4' energy: -109.348
flat angles C4'-P-C4' energy: -99.027
flat angles P-C4'-P energy: -47.366
tors. eta vs tors. theta energy: -52.693
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: 4
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -836.010748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.010748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.010748 (E_RNA)
where:
Base-Base interactions energy: -479.606
where: short stacking energy: -255.747
Base-Backbone interact. energy: 3.246
local terms energy: -359.650659
where:
bonds (distance) C4'-P energy: -82.883
bonds (distance) P-C4' energy: -90.240
flat angles C4'-P-C4' energy: -102.768
flat angles P-C4'-P energy: -50.184
tors. eta vs tors. theta energy: -33.574
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: 10, replica: 2
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -447.619038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.619038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.619038 (E_RNA)
where:
Base-Base interactions energy: -169.917
where: short stacking energy: -130.642
Base-Backbone interact. energy: 2.268
local terms energy: -279.969756
where:
bonds (distance) C4'-P energy: -78.152
bonds (distance) P-C4' energy: -102.281
flat angles C4'-P-C4' energy: -84.346
flat angles P-C4'-P energy: -30.898
tors. eta vs tors. theta energy: 15.707
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: 1, replica: 9
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -2117.747613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2117.747613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2117.747613 (E_RNA)
where:
Base-Base interactions energy: -1477.618
where: short stacking energy: -597.707
Base-Backbone interact. energy: -1.558
local terms energy: -638.571113
where:
bonds (distance) C4'-P energy: -124.247
bonds (distance) P-C4' energy: -116.002
flat angles C4'-P-C4' energy: -133.268
flat angles P-C4'-P energy: -90.925
tors. eta vs tors. theta energy: -174.130
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: 8
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1968.161565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.161565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.161565 (E_RNA)
where:
Base-Base interactions energy: -1370.796
where: short stacking energy: -594.705
Base-Backbone interact. energy: -2.552
local terms energy: -594.813100
where:
bonds (distance) C4'-P energy: -106.611
bonds (distance) P-C4' energy: -111.199
flat angles C4'-P-C4' energy: -133.455
flat angles P-C4'-P energy: -77.913
tors. eta vs tors. theta energy: -165.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1917.876159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.876159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.876159 (E_RNA)
where:
Base-Base interactions energy: -1336.832
where: short stacking energy: -522.582
Base-Backbone interact. energy: 3.349
local terms energy: -584.393426
where:
bonds (distance) C4'-P energy: -105.683
bonds (distance) P-C4' energy: -130.125
flat angles C4'-P-C4' energy: -120.919
flat angles P-C4'-P energy: -78.962
tors. eta vs tors. theta energy: -148.704
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: 6
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1872.078162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.078162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.078162 (E_RNA)
where:
Base-Base interactions energy: -1285.069
where: short stacking energy: -494.291
Base-Backbone interact. energy: -1.185
local terms energy: -585.823649
where:
bonds (distance) C4'-P energy: -119.957
bonds (distance) P-C4' energy: -108.778
flat angles C4'-P-C4' energy: -131.807
flat angles P-C4'-P energy: -72.232
tors. eta vs tors. theta energy: -153.051
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: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1779.154324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.154324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.154324 (E_RNA)
where:
Base-Base interactions energy: -1225.334
where: short stacking energy: -529.754
Base-Backbone interact. energy: -2.127
local terms energy: -551.694288
where:
bonds (distance) C4'-P energy: -99.831
bonds (distance) P-C4' energy: -107.170
flat angles C4'-P-C4' energy: -130.360
flat angles P-C4'-P energy: -67.856
tors. eta vs tors. theta energy: -146.478
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: 1
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1481.530127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.530127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.530127 (E_RNA)
where:
Base-Base interactions energy: -968.096
where: short stacking energy: -447.028
Base-Backbone interact. energy: -1.406
local terms energy: -512.027544
where:
bonds (distance) C4'-P energy: -97.472
bonds (distance) P-C4' energy: -108.206
flat angles C4'-P-C4' energy: -119.643
flat angles P-C4'-P energy: -70.713
tors. eta vs tors. theta energy: -115.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1304.600111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.600111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.600111 (E_RNA)
where:
Base-Base interactions energy: -839.711
where: short stacking energy: -361.517
Base-Backbone interact. energy: -1.978
local terms energy: -462.911307
where:
bonds (distance) C4'-P energy: -100.803
bonds (distance) P-C4' energy: -105.316
flat angles C4'-P-C4' energy: -102.623
flat angles P-C4'-P energy: -72.199
tors. eta vs tors. theta energy: -81.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1054.759321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.759321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.759321 (E_RNA)
where:
Base-Base interactions energy: -636.505
where: short stacking energy: -305.877
Base-Backbone interact. energy: 1.171
local terms energy: -419.425295
where:
bonds (distance) C4'-P energy: -100.066
bonds (distance) P-C4' energy: -104.908
flat angles C4'-P-C4' energy: -81.744
flat angles P-C4'-P energy: -66.993
tors. eta vs tors. theta energy: -65.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -819.384210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.384210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.384210 (E_RNA)
where:
Base-Base interactions energy: -450.622
where: short stacking energy: -228.046
Base-Backbone interact. energy: 0.213
local terms energy: -368.975622
where:
bonds (distance) C4'-P energy: -97.540
bonds (distance) P-C4' energy: -97.278
flat angles C4'-P-C4' energy: -78.727
flat angles P-C4'-P energy: -67.268
tors. eta vs tors. theta energy: -28.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -515.802644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.802644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.802644 (E_RNA)
where:
Base-Base interactions energy: -205.225
where: short stacking energy: -144.591
Base-Backbone interact. energy: -0.426
local terms energy: -310.151573
where:
bonds (distance) C4'-P energy: -87.714
bonds (distance) P-C4' energy: -103.692
flat angles C4'-P-C4' energy: -70.987
flat angles P-C4'-P energy: -64.840
tors. eta vs tors. theta energy: 17.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -2098.421878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.421878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.421878 (E_RNA)
where:
Base-Base interactions energy: -1473.247
where: short stacking energy: -613.911
Base-Backbone interact. energy: -1.453
local terms energy: -623.722605
where:
bonds (distance) C4'-P energy: -116.771
bonds (distance) P-C4' energy: -109.478
flat angles C4'-P-C4' energy: -133.668
flat angles P-C4'-P energy: -86.955
tors. eta vs tors. theta energy: -176.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1958.478901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.478901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.478901 (E_RNA)
where:
Base-Base interactions energy: -1357.720
where: short stacking energy: -576.901
Base-Backbone interact. energy: -2.619
local terms energy: -598.140317
where:
bonds (distance) C4'-P energy: -100.910
bonds (distance) P-C4' energy: -109.889
flat angles C4'-P-C4' energy: -128.454
flat angles P-C4'-P energy: -92.684
tors. eta vs tors. theta energy: -166.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1955.452113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.452113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.452113 (E_RNA)
where:
Base-Base interactions energy: -1362.278
where: short stacking energy: -568.772
Base-Backbone interact. energy: -2.347
local terms energy: -590.826984
where:
bonds (distance) C4'-P energy: -107.834
bonds (distance) P-C4' energy: -109.327
flat angles C4'-P-C4' energy: -123.035
flat angles P-C4'-P energy: -80.848
tors. eta vs tors. theta energy: -169.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1875.077442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.077442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.077442 (E_RNA)
where:
Base-Base interactions energy: -1307.389
where: short stacking energy: -530.418
Base-Backbone interact. energy: 2.260
local terms energy: -569.947725
where:
bonds (distance) C4'-P energy: -97.082
bonds (distance) P-C4' energy: -119.884
flat angles C4'-P-C4' energy: -126.042
flat angles P-C4'-P energy: -69.400
tors. eta vs tors. theta energy: -157.539
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: 5
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1784.733588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.733588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.733588 (E_RNA)
where:
Base-Base interactions energy: -1241.550
where: short stacking energy: -507.830
Base-Backbone interact. energy: -1.684
local terms energy: -541.499428
where:
bonds (distance) C4'-P energy: -106.698
bonds (distance) P-C4' energy: -95.905
flat angles C4'-P-C4' energy: -114.512
flat angles P-C4'-P energy: -80.072
tors. eta vs tors. theta energy: -144.313
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: 1
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1489.659256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.659256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.659256 (E_RNA)
where:
Base-Base interactions energy: -969.238
where: short stacking energy: -430.577
Base-Backbone interact. energy: -4.721
local terms energy: -515.700464
where:
bonds (distance) C4'-P energy: -104.322
bonds (distance) P-C4' energy: -95.407
flat angles C4'-P-C4' energy: -119.436
flat angles P-C4'-P energy: -73.161
tors. eta vs tors. theta energy: -123.375
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: 381
Temperature: 1.200000
Total energy: -1319.620791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.620791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.620791 (E_RNA)
where:
Base-Base interactions energy: -848.591
where: short stacking energy: -379.363
Base-Backbone interact. energy: -2.573
local terms energy: -468.456001
where:
bonds (distance) C4'-P energy: -97.568
bonds (distance) P-C4' energy: -105.885
flat angles C4'-P-C4' energy: -100.313
flat angles P-C4'-P energy: -64.954
tors. eta vs tors. theta energy: -99.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1085.916611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.916611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.916611 (E_RNA)
where:
Base-Base interactions energy: -642.969
where: short stacking energy: -309.685
Base-Backbone interact. energy: -2.973
local terms energy: -439.973896
where:
bonds (distance) C4'-P energy: -102.602
bonds (distance) P-C4' energy: -107.690
flat angles C4'-P-C4' energy: -103.622
flat angles P-C4'-P energy: -57.502
tors. eta vs tors. theta energy: -68.558
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: 4
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -781.307894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.307894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.307894 (E_RNA)
where:
Base-Base interactions energy: -443.336
where: short stacking energy: -231.211
Base-Backbone interact. energy: 1.913
local terms energy: -339.884286
where:
bonds (distance) C4'-P energy: -88.106
bonds (distance) P-C4' energy: -91.403
flat angles C4'-P-C4' energy: -96.711
flat angles P-C4'-P energy: -37.070
tors. eta vs tors. theta energy: -26.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -478.303709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.303709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.303709 (E_RNA)
where:
Base-Base interactions energy: -209.158
where: short stacking energy: -137.862
Base-Backbone interact. energy: -0.771
local terms energy: -268.374147
where:
bonds (distance) C4'-P energy: -75.824
bonds (distance) P-C4' energy: -89.429
flat angles C4'-P-C4' energy: -89.154
flat angles P-C4'-P energy: -37.899
tors. eta vs tors. theta energy: 23.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -2097.612477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.612477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.612477 (E_RNA)
where:
Base-Base interactions energy: -1471.805
where: short stacking energy: -622.194
Base-Backbone interact. energy: -1.293
local terms energy: -624.514570
where:
bonds (distance) C4'-P energy: -121.546
bonds (distance) P-C4' energy: -103.160
flat angles C4'-P-C4' energy: -129.380
flat angles P-C4'-P energy: -86.916
tors. eta vs tors. theta energy: -183.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1985.289556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.289556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.289556 (E_RNA)
where:
Base-Base interactions energy: -1386.812
where: short stacking energy: -553.593
Base-Backbone interact. energy: -7.840
local terms energy: -590.637088
where:
bonds (distance) C4'-P energy: -101.670
bonds (distance) P-C4' energy: -119.022
flat angles C4'-P-C4' energy: -116.061
flat angles P-C4'-P energy: -90.541
tors. eta vs tors. theta energy: -163.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -1970.443946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.443946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.443946 (E_RNA)
where:
Base-Base interactions energy: -1401.315
where: short stacking energy: -589.089
Base-Backbone interact. energy: -5.458
local terms energy: -563.670790
where:
bonds (distance) C4'-P energy: -90.745
bonds (distance) P-C4' energy: -105.954
flat angles C4'-P-C4' energy: -125.718
flat angles P-C4'-P energy: -81.821
tors. eta vs tors. theta energy: -159.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1856.717959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.717959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.717959 (E_RNA)
where:
Base-Base interactions energy: -1273.998
where: short stacking energy: -534.055
Base-Backbone interact. energy: 0.549
local terms energy: -583.269283
where:
bonds (distance) C4'-P energy: -102.889
bonds (distance) P-C4' energy: -119.415
flat angles C4'-P-C4' energy: -114.670
flat angles P-C4'-P energy: -76.104
tors. eta vs tors. theta energy: -170.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1773.758954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.758954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.758954 (E_RNA)
where:
Base-Base interactions energy: -1233.170
where: short stacking energy: -535.536
Base-Backbone interact. energy: -2.833
local terms energy: -537.755739
where:
bonds (distance) C4'-P energy: -108.620
bonds (distance) P-C4' energy: -99.232
flat angles C4'-P-C4' energy: -112.527
flat angles P-C4'-P energy: -59.007
tors. eta vs tors. theta energy: -158.370
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: 382
Temperature: 1.150000
Total energy: -1490.771982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.771982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.771982 (E_RNA)
where:
Base-Base interactions energy: -995.627
where: short stacking energy: -430.664
Base-Backbone interact. energy: 3.050
local terms energy: -498.194709
where:
bonds (distance) C4'-P energy: -107.745
bonds (distance) P-C4' energy: -100.833
flat angles C4'-P-C4' energy: -106.845
flat angles P-C4'-P energy: -69.814
tors. eta vs tors. theta energy: -112.958
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: 3
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1322.632470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.632470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.632470 (E_RNA)
where:
Base-Base interactions energy: -858.788
where: short stacking energy: -390.826
Base-Backbone interact. energy: 2.494
local terms energy: -466.338357
where:
bonds (distance) C4'-P energy: -105.506
bonds (distance) P-C4' energy: -92.906
flat angles C4'-P-C4' energy: -110.330
flat angles P-C4'-P energy: -71.752
tors. eta vs tors. theta energy: -85.845
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: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1090.798051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.798051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.798051 (E_RNA)
where:
Base-Base interactions energy: -675.356
where: short stacking energy: -304.970
Base-Backbone interact. energy: -2.697
local terms energy: -412.744729
where:
bonds (distance) C4'-P energy: -105.718
bonds (distance) P-C4' energy: -89.515
flat angles C4'-P-C4' energy: -89.721
flat angles P-C4'-P energy: -67.742
tors. eta vs tors. theta energy: -60.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -795.298055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.298055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.298055 (E_RNA)
where:
Base-Base interactions energy: -426.883
where: short stacking energy: -213.565
Base-Backbone interact. energy: 1.325
local terms energy: -369.740174
where:
bonds (distance) C4'-P energy: -96.902
bonds (distance) P-C4' energy: -95.377
flat angles C4'-P-C4' energy: -101.882
flat angles P-C4'-P energy: -54.790
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -477.997512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.997512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.997512 (E_RNA)
where:
Base-Base interactions energy: -198.873
where: short stacking energy: -150.411
Base-Backbone interact. energy: -0.623
local terms energy: -278.500721
where:
bonds (distance) C4'-P energy: -86.454
bonds (distance) P-C4' energy: -96.932
flat angles C4'-P-C4' energy: -57.151
flat angles P-C4'-P energy: -52.196
tors. eta vs tors. theta energy: 14.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -2098.029798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.029798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.029798 (E_RNA)
where:
Base-Base interactions energy: -1464.728
where: short stacking energy: -625.250
Base-Backbone interact. energy: -0.175
local terms energy: -633.127040
where:
bonds (distance) C4'-P energy: -118.055
bonds (distance) P-C4' energy: -119.688
flat angles C4'-P-C4' energy: -135.329
flat angles P-C4'-P energy: -82.783
tors. eta vs tors. theta energy: -177.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1987.676536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.676536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.676536 (E_RNA)
where:
Base-Base interactions energy: -1423.203
where: short stacking energy: -574.719
Base-Backbone interact. energy: -1.497
local terms energy: -562.976074
where:
bonds (distance) C4'-P energy: -89.153
bonds (distance) P-C4' energy: -118.630
flat angles C4'-P-C4' energy: -125.931
flat angles P-C4'-P energy: -67.544
tors. eta vs tors. theta energy: -161.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1937.599547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.599547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.599547 (E_RNA)
where:
Base-Base interactions energy: -1317.798
where: short stacking energy: -528.059
Base-Backbone interact. energy: -1.694
local terms energy: -618.107397
where:
bonds (distance) C4'-P energy: -125.975
bonds (distance) P-C4' energy: -117.860
flat angles C4'-P-C4' energy: -128.635
flat angles P-C4'-P energy: -86.710
tors. eta vs tors. theta energy: -158.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1867.318851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.318851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.318851 (E_RNA)
where:
Base-Base interactions energy: -1294.064
where: short stacking energy: -527.315
Base-Backbone interact. energy: -1.128
local terms energy: -572.126118
where:
bonds (distance) C4'-P energy: -107.108
bonds (distance) P-C4' energy: -107.023
flat angles C4'-P-C4' energy: -122.332
flat angles P-C4'-P energy: -73.188
tors. eta vs tors. theta energy: -162.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1785.779773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.779773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.779773 (E_RNA)
where:
Base-Base interactions energy: -1212.299
where: short stacking energy: -514.564
Base-Backbone interact. energy: -0.376
local terms energy: -573.104751
where:
bonds (distance) C4'-P energy: -109.969
bonds (distance) P-C4' energy: -115.659
flat angles C4'-P-C4' energy: -117.997
flat angles P-C4'-P energy: -77.605
tors. eta vs tors. theta energy: -151.876
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: 1
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1515.874520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.874520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.874520 (E_RNA)
where:
Base-Base interactions energy: -984.420
where: short stacking energy: -436.805
Base-Backbone interact. energy: 0.474
local terms energy: -531.928134
where:
bonds (distance) C4'-P energy: -113.658
bonds (distance) P-C4' energy: -103.023
flat angles C4'-P-C4' energy: -120.232
flat angles P-C4'-P energy: -76.076
tors. eta vs tors. theta energy: -118.938
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: 3
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1434.818220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.818220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.818220 (E_RNA)
where:
Base-Base interactions energy: -970.104
where: short stacking energy: -446.350
Base-Backbone interact. energy: 1.523
local terms energy: -466.237298
where:
bonds (distance) C4'-P energy: -88.441
bonds (distance) P-C4' energy: -95.290
flat angles C4'-P-C4' energy: -94.057
flat angles P-C4'-P energy: -71.221
tors. eta vs tors. theta energy: -117.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1040.977204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.977204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.977204 (E_RNA)
where:
Base-Base interactions energy: -638.636
where: short stacking energy: -297.337
Base-Backbone interact. energy: 3.632
local terms energy: -405.973673
where:
bonds (distance) C4'-P energy: -99.772
bonds (distance) P-C4' energy: -100.971
flat angles C4'-P-C4' energy: -103.745
flat angles P-C4'-P energy: -48.036
tors. eta vs tors. theta energy: -53.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -769.690504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.690504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.690504 (E_RNA)
where:
Base-Base interactions energy: -430.219
where: short stacking energy: -215.953
Base-Backbone interact. energy: -1.697
local terms energy: -337.774230
where:
bonds (distance) C4'-P energy: -82.173
bonds (distance) P-C4' energy: -102.768
flat angles C4'-P-C4' energy: -76.960
flat angles P-C4'-P energy: -54.065
tors. eta vs tors. theta energy: -21.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -445.014374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.014374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.014374 (E_RNA)
where:
Base-Base interactions energy: -157.201
where: short stacking energy: -121.612
Base-Backbone interact. energy: -1.064
local terms energy: -286.749220
where:
bonds (distance) C4'-P energy: -89.985
bonds (distance) P-C4' energy: -93.535
flat angles C4'-P-C4' energy: -83.743
flat angles P-C4'-P energy: -59.605
tors. eta vs tors. theta energy: 40.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -2127.932981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.932981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.932981 (E_RNA)
where:
Base-Base interactions energy: -1488.016
where: short stacking energy: -622.243
Base-Backbone interact. energy: 1.649
local terms energy: -641.565781
where:
bonds (distance) C4'-P energy: -109.547
bonds (distance) P-C4' energy: -125.941
flat angles C4'-P-C4' energy: -140.942
flat angles P-C4'-P energy: -88.304
tors. eta vs tors. theta energy: -176.832
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: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1994.935553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.935553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.935553 (E_RNA)
where:
Base-Base interactions energy: -1400.942
where: short stacking energy: -563.954
Base-Backbone interact. energy: -2.520
local terms energy: -591.473340
where:
bonds (distance) C4'-P energy: -111.995
bonds (distance) P-C4' energy: -99.679
flat angles C4'-P-C4' energy: -130.963
flat angles P-C4'-P energy: -81.971
tors. eta vs tors. theta energy: -166.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -1951.931365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.931365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.931365 (E_RNA)
where:
Base-Base interactions energy: -1346.373
where: short stacking energy: -542.416
Base-Backbone interact. energy: -2.917
local terms energy: -602.641714
where:
bonds (distance) C4'-P energy: -110.484
bonds (distance) P-C4' energy: -115.659
flat angles C4'-P-C4' energy: -132.752
flat angles P-C4'-P energy: -84.147
tors. eta vs tors. theta energy: -159.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1818.810258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.810258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.810258 (E_RNA)
where:
Base-Base interactions energy: -1246.443
where: short stacking energy: -540.194
Base-Backbone interact. energy: 1.110
local terms energy: -573.477283
where:
bonds (distance) C4'-P energy: -112.683
bonds (distance) P-C4' energy: -119.653
flat angles C4'-P-C4' energy: -119.013
flat angles P-C4'-P energy: -65.782
tors. eta vs tors. theta energy: -156.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1762.734500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.734500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.734500 (E_RNA)
where:
Base-Base interactions energy: -1185.692
where: short stacking energy: -526.977
Base-Backbone interact. energy: 1.459
local terms energy: -578.501121
where:
bonds (distance) C4'-P energy: -114.303
bonds (distance) P-C4' energy: -116.932
flat angles C4'-P-C4' energy: -105.660
flat angles P-C4'-P energy: -87.379
tors. eta vs tors. theta energy: -154.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1534.075480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.075480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.075480 (E_RNA)
where:
Base-Base interactions energy: -1006.477
where: short stacking energy: -420.939
Base-Backbone interact. energy: -1.124
local terms energy: -526.474785
where:
bonds (distance) C4'-P energy: -104.760
bonds (distance) P-C4' energy: -118.273
flat angles C4'-P-C4' energy: -98.087
flat angles P-C4'-P energy: -77.064
tors. eta vs tors. theta energy: -128.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1354.686561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.686561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.686561 (E_RNA)
where:
Base-Base interactions energy: -909.531
where: short stacking energy: -398.401
Base-Backbone interact. energy: 3.581
local terms energy: -448.736800
where:
bonds (distance) C4'-P energy: -97.650
bonds (distance) P-C4' energy: -104.764
flat angles C4'-P-C4' energy: -96.217
flat angles P-C4'-P energy: -63.873
tors. eta vs tors. theta energy: -86.233
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: 10
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1055.303559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.303559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.303559 (E_RNA)
where:
Base-Base interactions energy: -651.411
where: short stacking energy: -302.550
Base-Backbone interact. energy: -2.124
local terms energy: -401.768591
where:
bonds (distance) C4'-P energy: -99.718
bonds (distance) P-C4' energy: -96.704
flat angles C4'-P-C4' energy: -97.419
flat angles P-C4'-P energy: -51.391
tors. eta vs tors. theta energy: -56.537
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: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -754.102638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.102638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.102638 (E_RNA)
where:
Base-Base interactions energy: -393.433
where: short stacking energy: -190.219
Base-Backbone interact. energy: -2.299
local terms energy: -358.369902
where:
bonds (distance) C4'-P energy: -89.023
bonds (distance) P-C4' energy: -103.658
flat angles C4'-P-C4' energy: -101.972
flat angles P-C4'-P energy: -57.006
tors. eta vs tors. theta energy: -6.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -475.573166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.573166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.573166 (E_RNA)
where:
Base-Base interactions energy: -191.351
where: short stacking energy: -155.847
Base-Backbone interact. energy: 13.755
local terms energy: -297.977532
where:
bonds (distance) C4'-P energy: -73.116
bonds (distance) P-C4' energy: -103.316
flat angles C4'-P-C4' energy: -83.985
flat angles P-C4'-P energy: -39.187
tors. eta vs tors. theta energy: 1.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -2142.359876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2142.359876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2142.359876 (E_RNA)
where:
Base-Base interactions energy: -1490.622
where: short stacking energy: -630.512
Base-Backbone interact. energy: -0.658
local terms energy: -651.079539
where:
bonds (distance) C4'-P energy: -120.190
bonds (distance) P-C4' energy: -117.250
flat angles C4'-P-C4' energy: -139.623
flat angles P-C4'-P energy: -99.395
tors. eta vs tors. theta energy: -174.622
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: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -2014.776686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2014.776686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2014.776686 (E_RNA)
where:
Base-Base interactions energy: -1402.728
where: short stacking energy: -567.255
Base-Backbone interact. energy: -0.928
local terms energy: -611.121031
where:
bonds (distance) C4'-P energy: -108.305
bonds (distance) P-C4' energy: -121.317
flat angles C4'-P-C4' energy: -131.744
flat angles P-C4'-P energy: -86.175
tors. eta vs tors. theta energy: -163.580
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: 8
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1947.787611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.787611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.787611 (E_RNA)
where:
Base-Base interactions energy: -1342.577
where: short stacking energy: -527.816
Base-Backbone interact. energy: -3.636
local terms energy: -601.574020
where:
bonds (distance) C4'-P energy: -108.438
bonds (distance) P-C4' energy: -109.367
flat angles C4'-P-C4' energy: -131.785
flat angles P-C4'-P energy: -94.279
tors. eta vs tors. theta energy: -157.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1867.085563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.085563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.085563 (E_RNA)
where:
Base-Base interactions energy: -1278.528
where: short stacking energy: -534.283
Base-Backbone interact. energy: -2.096
local terms energy: -586.461284
where:
bonds (distance) C4'-P energy: -98.506
bonds (distance) P-C4' energy: -119.327
flat angles C4'-P-C4' energy: -123.669
flat angles P-C4'-P energy: -85.323
tors. eta vs tors. theta energy: -159.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1761.541019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.541019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.541019 (E_RNA)
where:
Base-Base interactions energy: -1183.457
where: short stacking energy: -495.436
Base-Backbone interact. energy: 0.809
local terms energy: -578.892980
where:
bonds (distance) C4'-P energy: -110.818
bonds (distance) P-C4' energy: -122.246
flat angles C4'-P-C4' energy: -126.391
flat angles P-C4'-P energy: -78.346
tors. eta vs tors. theta energy: -141.093
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: 6, replica: 1
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1486.779776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.779776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.779776 (E_RNA)
where:
Base-Base interactions energy: -976.566
where: short stacking energy: -430.584
Base-Backbone interact. energy: -2.790
local terms energy: -507.423885
where:
bonds (distance) C4'-P energy: -108.446
bonds (distance) P-C4' energy: -114.823
flat angles C4'-P-C4' energy: -103.282
flat angles P-C4'-P energy: -68.821
tors. eta vs tors. theta energy: -112.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1306.830243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.830243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.830243 (E_RNA)
where:
Base-Base interactions energy: -842.176
where: short stacking energy: -355.807
Base-Backbone interact. energy: 1.505
local terms energy: -466.159520
where:
bonds (distance) C4'-P energy: -99.149
bonds (distance) P-C4' energy: -99.873
flat angles C4'-P-C4' energy: -119.587
flat angles P-C4'-P energy: -61.777
tors. eta vs tors. theta energy: -85.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1050.781823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.781823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.781823 (E_RNA)
where:
Base-Base interactions energy: -648.712
where: short stacking energy: -305.672
Base-Backbone interact. energy: 1.286
local terms energy: -403.355856
where:
bonds (distance) C4'-P energy: -80.326
bonds (distance) P-C4' energy: -115.657
flat angles C4'-P-C4' energy: -104.047
flat angles P-C4'-P energy: -49.098
tors. eta vs tors. theta energy: -54.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -791.290548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.290548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.290548 (E_RNA)
where:
Base-Base interactions energy: -416.348
where: short stacking energy: -226.027
Base-Backbone interact. energy: 3.441
local terms energy: -378.383711
where:
bonds (distance) C4'-P energy: -95.218
bonds (distance) P-C4' energy: -95.197
flat angles C4'-P-C4' energy: -108.340
flat angles P-C4'-P energy: -54.471
tors. eta vs tors. theta energy: -25.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -450.677112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.677112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.677112 (E_RNA)
where:
Base-Base interactions energy: -161.651
where: short stacking energy: -127.079
Base-Backbone interact. energy: 4.957
local terms energy: -293.982598
where:
bonds (distance) C4'-P energy: -79.482
bonds (distance) P-C4' energy: -101.100
flat angles C4'-P-C4' energy: -83.460
flat angles P-C4'-P energy: -53.490
tors. eta vs tors. theta energy: 23.550
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: 386
Temperature: 0.900000
Total energy: -2125.718469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.718469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.718469 (E_RNA)
where:
Base-Base interactions energy: -1488.197
where: short stacking energy: -619.534
Base-Backbone interact. energy: -1.033
local terms energy: -636.488811
where:
bonds (distance) C4'-P energy: -125.005
bonds (distance) P-C4' energy: -112.467
flat angles C4'-P-C4' energy: -133.835
flat angles P-C4'-P energy: -93.556
tors. eta vs tors. theta energy: -171.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -2002.464238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.464238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.464238 (E_RNA)
where:
Base-Base interactions energy: -1398.511
where: short stacking energy: -559.643
Base-Backbone interact. energy: -1.672
local terms energy: -602.281257
where:
bonds (distance) C4'-P energy: -110.266
bonds (distance) P-C4' energy: -101.861
flat angles C4'-P-C4' energy: -137.887
flat angles P-C4'-P energy: -88.191
tors. eta vs tors. theta energy: -164.076
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: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1949.830645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.830645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.830645 (E_RNA)
where:
Base-Base interactions energy: -1333.787
where: short stacking energy: -551.749
Base-Backbone interact. energy: -1.778
local terms energy: -614.266545
where:
bonds (distance) C4'-P energy: -115.473
bonds (distance) P-C4' energy: -107.985
flat angles C4'-P-C4' energy: -135.909
flat angles P-C4'-P energy: -87.866
tors. eta vs tors. theta energy: -167.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1855.266340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.266340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.266340 (E_RNA)
where:
Base-Base interactions energy: -1276.110
where: short stacking energy: -549.187
Base-Backbone interact. energy: -3.228
local terms energy: -575.928450
where:
bonds (distance) C4'-P energy: -94.407
bonds (distance) P-C4' energy: -108.962
flat angles C4'-P-C4' energy: -120.184
flat angles P-C4'-P energy: -84.609
tors. eta vs tors. theta energy: -167.766
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: 5, replica: 5
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1722.726597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.726597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.726597 (E_RNA)
where:
Base-Base interactions energy: -1202.338
where: short stacking energy: -501.637
Base-Backbone interact. energy: -3.119
local terms energy: -517.269816
where:
bonds (distance) C4'-P energy: -94.036
bonds (distance) P-C4' energy: -101.716
flat angles C4'-P-C4' energy: -116.072
flat angles P-C4'-P energy: -63.160
tors. eta vs tors. theta energy: -142.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1517.712669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.712669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.712669 (E_RNA)
where:
Base-Base interactions energy: -1004.017
where: short stacking energy: -437.924
Base-Backbone interact. energy: 3.693
local terms energy: -517.388011
where:
bonds (distance) C4'-P energy: -95.897
bonds (distance) P-C4' energy: -111.402
flat angles C4'-P-C4' energy: -120.420
flat angles P-C4'-P energy: -71.184
tors. eta vs tors. theta energy: -118.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1322.453779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.453779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.453779 (E_RNA)
where:
Base-Base interactions energy: -867.404
where: short stacking energy: -391.514
Base-Backbone interact. energy: -3.777
local terms energy: -451.272716
where:
bonds (distance) C4'-P energy: -93.798
bonds (distance) P-C4' energy: -89.518
flat angles C4'-P-C4' energy: -104.120
flat angles P-C4'-P energy: -68.240
tors. eta vs tors. theta energy: -95.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1031.172541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.172541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.172541 (E_RNA)
where:
Base-Base interactions energy: -637.243
where: short stacking energy: -305.365
Base-Backbone interact. energy: 2.614
local terms energy: -396.544004
where:
bonds (distance) C4'-P energy: -96.590
bonds (distance) P-C4' energy: -77.860
flat angles C4'-P-C4' energy: -90.784
flat angles P-C4'-P energy: -69.641
tors. eta vs tors. theta energy: -61.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -797.401700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.401700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.401700 (E_RNA)
where:
Base-Base interactions energy: -440.693
where: short stacking energy: -209.831
Base-Backbone interact. energy: -0.891
local terms energy: -355.818028
where:
bonds (distance) C4'-P energy: -98.309
bonds (distance) P-C4' energy: -108.202
flat angles C4'-P-C4' energy: -81.117
flat angles P-C4'-P energy: -56.590
tors. eta vs tors. theta energy: -11.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -444.544038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.544038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.544038 (E_RNA)
where:
Base-Base interactions energy: -153.458
where: short stacking energy: -114.951
Base-Backbone interact. energy: 1.215
local terms energy: -292.301240
where:
bonds (distance) C4'-P energy: -95.842
bonds (distance) P-C4' energy: -104.559
flat angles C4'-P-C4' energy: -79.332
flat angles P-C4'-P energy: -44.449
tors. eta vs tors. theta energy: 31.881
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: 1, replica: 9
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -2101.050794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.050794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.050794 (E_RNA)
where:
Base-Base interactions energy: -1461.571
where: short stacking energy: -604.190
Base-Backbone interact. energy: 0.051
local terms energy: -639.531470
where:
bonds (distance) C4'-P energy: -116.529
bonds (distance) P-C4' energy: -108.586
flat angles C4'-P-C4' energy: -136.590
flat angles P-C4'-P energy: -101.373
tors. eta vs tors. theta energy: -176.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -2019.964517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.964517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.964517 (E_RNA)
where:
Base-Base interactions energy: -1408.300
where: short stacking energy: -560.609
Base-Backbone interact. energy: -3.549
local terms energy: -608.115402
where:
bonds (distance) C4'-P energy: -116.548
bonds (distance) P-C4' energy: -101.665
flat angles C4'-P-C4' energy: -128.884
flat angles P-C4'-P energy: -95.867
tors. eta vs tors. theta energy: -165.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1974.346636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.346636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.346636 (E_RNA)
where:
Base-Base interactions energy: -1353.960
where: short stacking energy: -569.403
Base-Backbone interact. energy: -3.281
local terms energy: -617.106214
where:
bonds (distance) C4'-P energy: -111.862
bonds (distance) P-C4' energy: -117.507
flat angles C4'-P-C4' energy: -132.392
flat angles P-C4'-P energy: -84.013
tors. eta vs tors. theta energy: -171.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1925.610628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.610628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.610628 (E_RNA)
where:
Base-Base interactions energy: -1335.826
where: short stacking energy: -560.403
Base-Backbone interact. energy: -0.918
local terms energy: -588.867114
where:
bonds (distance) C4'-P energy: -100.157
bonds (distance) P-C4' energy: -107.262
flat angles C4'-P-C4' energy: -128.162
flat angles P-C4'-P energy: -77.460
tors. eta vs tors. theta energy: -175.825
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: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1760.497856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.497856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.497856 (E_RNA)
where:
Base-Base interactions energy: -1202.454
where: short stacking energy: -507.234
Base-Backbone interact. energy: -1.761
local terms energy: -556.282472
where:
bonds (distance) C4'-P energy: -110.523
bonds (distance) P-C4' energy: -104.788
flat angles C4'-P-C4' energy: -110.102
flat angles P-C4'-P energy: -80.743
tors. eta vs tors. theta energy: -150.127
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: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -1491.911843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.911843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.911843 (E_RNA)
where:
Base-Base interactions energy: -1009.576
where: short stacking energy: -421.397
Base-Backbone interact. energy: -1.642
local terms energy: -480.693395
where:
bonds (distance) C4'-P energy: -92.314
bonds (distance) P-C4' energy: -103.973
flat angles C4'-P-C4' energy: -102.355
flat angles P-C4'-P energy: -74.683
tors. eta vs tors. theta energy: -107.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1341.179020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.179020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.179020 (E_RNA)
where:
Base-Base interactions energy: -867.692
where: short stacking energy: -400.654
Base-Backbone interact. energy: 1.487
local terms energy: -474.974887
where:
bonds (distance) C4'-P energy: -97.155
bonds (distance) P-C4' energy: -106.067
flat angles C4'-P-C4' energy: -91.961
flat angles P-C4'-P energy: -74.213
tors. eta vs tors. theta energy: -105.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1051.495054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.495054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.495054 (E_RNA)
where:
Base-Base interactions energy: -624.494
where: short stacking energy: -293.557
Base-Backbone interact. energy: -1.668
local terms energy: -425.333042
where:
bonds (distance) C4'-P energy: -99.769
bonds (distance) P-C4' energy: -94.475
flat angles C4'-P-C4' energy: -107.499
flat angles P-C4'-P energy: -64.764
tors. eta vs tors. theta energy: -58.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -826.537753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.537753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.537753 (E_RNA)
where:
Base-Base interactions energy: -497.853
where: short stacking energy: -237.145
Base-Backbone interact. energy: -2.067
local terms energy: -326.617698
where:
bonds (distance) C4'-P energy: -92.398
bonds (distance) P-C4' energy: -93.515
flat angles C4'-P-C4' energy: -84.554
flat angles P-C4'-P energy: -39.202
tors. eta vs tors. theta energy: -16.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -456.225483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.225483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.225483 (E_RNA)
where:
Base-Base interactions energy: -167.726
where: short stacking energy: -128.927
Base-Backbone interact. energy: -0.978
local terms energy: -287.522148
where:
bonds (distance) C4'-P energy: -95.977
bonds (distance) P-C4' energy: -73.132
flat angles C4'-P-C4' energy: -87.905
flat angles P-C4'-P energy: -49.125
tors. eta vs tors. theta energy: 18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -2096.562675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.562675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.562675 (E_RNA)
where:
Base-Base interactions energy: -1465.197
where: short stacking energy: -617.196
Base-Backbone interact. energy: -2.141
local terms energy: -629.224847
where:
bonds (distance) C4'-P energy: -115.595
bonds (distance) P-C4' energy: -114.498
flat angles C4'-P-C4' energy: -136.024
flat angles P-C4'-P energy: -94.559
tors. eta vs tors. theta energy: -168.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -2012.204293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.204293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.204293 (E_RNA)
where:
Base-Base interactions energy: -1408.770
where: short stacking energy: -567.732
Base-Backbone interact. energy: -0.093
local terms energy: -603.341174
where:
bonds (distance) C4'-P energy: -106.409
bonds (distance) P-C4' energy: -123.678
flat angles C4'-P-C4' energy: -120.718
flat angles P-C4'-P energy: -87.481
tors. eta vs tors. theta energy: -165.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1962.568188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.568188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.568188 (E_RNA)
where:
Base-Base interactions energy: -1360.144
where: short stacking energy: -565.984
Base-Backbone interact. energy: -4.255
local terms energy: -598.168299
where:
bonds (distance) C4'-P energy: -109.488
bonds (distance) P-C4' energy: -119.551
flat angles C4'-P-C4' energy: -120.809
flat angles P-C4'-P energy: -77.769
tors. eta vs tors. theta energy: -170.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1910.998849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.998849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.998849 (E_RNA)
where:
Base-Base interactions energy: -1318.538
where: short stacking energy: -566.356
Base-Backbone interact. energy: -2.764
local terms energy: -589.697394
where:
bonds (distance) C4'-P energy: -114.180
bonds (distance) P-C4' energy: -98.096
flat angles C4'-P-C4' energy: -128.119
flat angles P-C4'-P energy: -74.674
tors. eta vs tors. theta energy: -174.628
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: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1755.089094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.089094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.089094 (E_RNA)
where:
Base-Base interactions energy: -1224.153
where: short stacking energy: -517.615
Base-Backbone interact. energy: 0.079
local terms energy: -531.015742
where:
bonds (distance) C4'-P energy: -84.662
bonds (distance) P-C4' energy: -109.974
flat angles C4'-P-C4' energy: -122.761
flat angles P-C4'-P energy: -68.979
tors. eta vs tors. theta energy: -144.640
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: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1505.199620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.199620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.199620 (E_RNA)
where:
Base-Base interactions energy: -1021.243
where: short stacking energy: -413.126
Base-Backbone interact. energy: -0.166
local terms energy: -483.791535
where:
bonds (distance) C4'-P energy: -99.847
bonds (distance) P-C4' energy: -93.543
flat angles C4'-P-C4' energy: -112.557
flat angles P-C4'-P energy: -76.438
tors. eta vs tors. theta energy: -101.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1431.568339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.568339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.568339 (E_RNA)
where:
Base-Base interactions energy: -950.864
where: short stacking energy: -440.209
Base-Backbone interact. energy: -2.002
local terms energy: -478.702839
where:
bonds (distance) C4'-P energy: -93.861
bonds (distance) P-C4' energy: -87.946
flat angles C4'-P-C4' energy: -103.735
flat angles P-C4'-P energy: -71.558
tors. eta vs tors. theta energy: -121.603
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: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1072.121229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.121229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.121229 (E_RNA)
where:
Base-Base interactions energy: -679.889
where: short stacking energy: -306.349
Base-Backbone interact. energy: 1.493
local terms energy: -393.724791
where:
bonds (distance) C4'-P energy: -94.691
bonds (distance) P-C4' energy: -99.907
flat angles C4'-P-C4' energy: -103.451
flat angles P-C4'-P energy: -53.503
tors. eta vs tors. theta energy: -42.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -728.529403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.529403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.529403 (E_RNA)
where:
Base-Base interactions energy: -403.113
where: short stacking energy: -195.943
Base-Backbone interact. energy: -3.470
local terms energy: -321.946128
where:
bonds (distance) C4'-P energy: -99.614
bonds (distance) P-C4' energy: -84.672
flat angles C4'-P-C4' energy: -80.232
flat angles P-C4'-P energy: -36.821
tors. eta vs tors. theta energy: -20.608
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: 2
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -450.917592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.917592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.917592 (E_RNA)
where:
Base-Base interactions energy: -165.377
where: short stacking energy: -126.903
Base-Backbone interact. energy: 5.139
local terms energy: -290.679606
where:
bonds (distance) C4'-P energy: -86.724
bonds (distance) P-C4' energy: -113.818
flat angles C4'-P-C4' energy: -74.771
flat angles P-C4'-P energy: -48.748
tors. eta vs tors. theta energy: 33.382
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: 9
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -2082.705343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.705343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.705343 (E_RNA)
where:
Base-Base interactions energy: -1450.947
where: short stacking energy: -621.239
Base-Backbone interact. energy: -0.089
local terms energy: -631.670172
where:
bonds (distance) C4'-P energy: -101.980
bonds (distance) P-C4' energy: -122.337
flat angles C4'-P-C4' energy: -139.050
flat angles P-C4'-P energy: -93.232
tors. eta vs tors. theta energy: -175.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -2023.754355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.754355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.754355 (E_RNA)
where:
Base-Base interactions energy: -1421.212
where: short stacking energy: -587.844
Base-Backbone interact. energy: -3.655
local terms energy: -598.887103
where:
bonds (distance) C4'-P energy: -102.827
bonds (distance) P-C4' energy: -112.068
flat angles C4'-P-C4' energy: -131.064
flat angles P-C4'-P energy: -83.535
tors. eta vs tors. theta energy: -169.392
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: 8
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1954.781121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.781121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.781121 (E_RNA)
where:
Base-Base interactions energy: -1363.554
where: short stacking energy: -543.031
Base-Backbone interact. energy: -2.494
local terms energy: -588.733425
where:
bonds (distance) C4'-P energy: -117.417
bonds (distance) P-C4' energy: -94.060
flat angles C4'-P-C4' energy: -136.270
flat angles P-C4'-P energy: -79.324
tors. eta vs tors. theta energy: -161.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1889.279849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.279849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.279849 (E_RNA)
where:
Base-Base interactions energy: -1297.296
where: short stacking energy: -550.027
Base-Backbone interact. energy: 0.570
local terms energy: -592.553132
where:
bonds (distance) C4'-P energy: -102.484
bonds (distance) P-C4' energy: -123.414
flat angles C4'-P-C4' energy: -118.772
flat angles P-C4'-P energy: -85.578
tors. eta vs tors. theta energy: -162.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1747.730786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.730786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.730786 (E_RNA)
where:
Base-Base interactions energy: -1211.220
where: short stacking energy: -498.600
Base-Backbone interact. energy: -2.103
local terms energy: -534.407019
where:
bonds (distance) C4'-P energy: -88.438
bonds (distance) P-C4' energy: -109.580
flat angles C4'-P-C4' energy: -124.706
flat angles P-C4'-P energy: -70.240
tors. eta vs tors. theta energy: -141.443
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: 389
Temperature: 1.150000
Total energy: -1531.616457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.616457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.616457 (E_RNA)
where:
Base-Base interactions energy: -1032.973
where: short stacking energy: -433.188
Base-Backbone interact. energy: -0.610
local terms energy: -498.034120
where:
bonds (distance) C4'-P energy: -94.783
bonds (distance) P-C4' energy: -102.508
flat angles C4'-P-C4' energy: -132.079
flat angles P-C4'-P energy: -79.341
tors. eta vs tors. theta energy: -89.323
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: 3
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1378.687988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.687988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.687988 (E_RNA)
where:
Base-Base interactions energy: -876.262
where: short stacking energy: -431.402
Base-Backbone interact. energy: -2.204
local terms energy: -500.221534
where:
bonds (distance) C4'-P energy: -96.286
bonds (distance) P-C4' energy: -111.804
flat angles C4'-P-C4' energy: -115.481
flat angles P-C4'-P energy: -58.150
tors. eta vs tors. theta energy: -118.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1109.466141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.466141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.466141 (E_RNA)
where:
Base-Base interactions energy: -672.492
where: short stacking energy: -325.687
Base-Backbone interact. energy: -1.722
local terms energy: -435.252121
where:
bonds (distance) C4'-P energy: -111.943
bonds (distance) P-C4' energy: -80.543
flat angles C4'-P-C4' energy: -95.703
flat angles P-C4'-P energy: -74.517
tors. eta vs tors. theta energy: -72.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -746.791117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.791117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.791117 (E_RNA)
where:
Base-Base interactions energy: -373.899
where: short stacking energy: -222.020
Base-Backbone interact. energy: 1.374
local terms energy: -374.266734
where:
bonds (distance) C4'-P energy: -112.179
bonds (distance) P-C4' energy: -76.189
flat angles C4'-P-C4' energy: -88.202
flat angles P-C4'-P energy: -64.732
tors. eta vs tors. theta energy: -32.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -442.643364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.643364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.643364 (E_RNA)
where:
Base-Base interactions energy: -156.940
where: short stacking energy: -131.917
Base-Backbone interact. energy: 3.338
local terms energy: -289.041822
where:
bonds (distance) C4'-P energy: -88.663
bonds (distance) P-C4' energy: -92.523
flat angles C4'-P-C4' energy: -79.843
flat angles P-C4'-P energy: -50.265
tors. eta vs tors. theta energy: 22.252
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: 1, replica: 9
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -2081.597724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2081.597724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2081.597724 (E_RNA)
where:
Base-Base interactions energy: -1441.477
where: short stacking energy: -609.209
Base-Backbone interact. energy: -0.116
local terms energy: -640.004267
where:
bonds (distance) C4'-P energy: -123.897
bonds (distance) P-C4' energy: -126.756
flat angles C4'-P-C4' energy: -135.873
flat angles P-C4'-P energy: -86.646
tors. eta vs tors. theta energy: -166.832
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: 7
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -2021.417126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2021.417126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2021.417126 (E_RNA)
where:
Base-Base interactions energy: -1430.414
where: short stacking energy: -599.475
Base-Backbone interact. energy: -0.196
local terms energy: -590.807290
where:
bonds (distance) C4'-P energy: -108.390
bonds (distance) P-C4' energy: -107.933
flat angles C4'-P-C4' energy: -127.303
flat angles P-C4'-P energy: -72.415
tors. eta vs tors. theta energy: -174.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1952.591904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.591904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.591904 (E_RNA)
where:
Base-Base interactions energy: -1373.345
where: short stacking energy: -546.764
Base-Backbone interact. energy: -3.734
local terms energy: -575.512734
where:
bonds (distance) C4'-P energy: -108.063
bonds (distance) P-C4' energy: -108.767
flat angles C4'-P-C4' energy: -132.266
flat angles P-C4'-P energy: -67.066
tors. eta vs tors. theta energy: -159.350
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: 6
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1902.593901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.593901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.593901 (E_RNA)
where:
Base-Base interactions energy: -1319.380
where: short stacking energy: -543.189
Base-Backbone interact. energy: -2.417
local terms energy: -580.797773
where:
bonds (distance) C4'-P energy: -114.939
bonds (distance) P-C4' energy: -108.455
flat angles C4'-P-C4' energy: -111.679
flat angles P-C4'-P energy: -78.797
tors. eta vs tors. theta energy: -166.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1748.934176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.934176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.934176 (E_RNA)
where:
Base-Base interactions energy: -1215.502
where: short stacking energy: -500.947
Base-Backbone interact. energy: -2.240
local terms energy: -531.191841
where:
bonds (distance) C4'-P energy: -108.467
bonds (distance) P-C4' energy: -94.166
flat angles C4'-P-C4' energy: -120.367
flat angles P-C4'-P energy: -60.044
tors. eta vs tors. theta energy: -148.148
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: 6, replica: 1
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1571.741931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.741931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.741931 (E_RNA)
where:
Base-Base interactions energy: -1058.204
where: short stacking energy: -448.673
Base-Backbone interact. energy: -2.539
local terms energy: -510.998984
where:
bonds (distance) C4'-P energy: -105.645
bonds (distance) P-C4' energy: -102.451
flat angles C4'-P-C4' energy: -106.863
flat angles P-C4'-P energy: -81.188
tors. eta vs tors. theta energy: -114.852
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: 7, replica: 3
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1371.516018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.516018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.516018 (E_RNA)
where:
Base-Base interactions energy: -932.503
where: short stacking energy: -417.587
Base-Backbone interact. energy: -0.376
local terms energy: -438.637547
where:
bonds (distance) C4'-P energy: -90.321
bonds (distance) P-C4' energy: -83.377
flat angles C4'-P-C4' energy: -99.736
flat angles P-C4'-P energy: -61.067
tors. eta vs tors. theta energy: -104.137
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: 10
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1068.340834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.340834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.340834 (E_RNA)
where:
Base-Base interactions energy: -639.712
where: short stacking energy: -294.658
Base-Backbone interact. energy: -0.276
local terms energy: -428.352806
where:
bonds (distance) C4'-P energy: -83.076
bonds (distance) P-C4' energy: -93.234
flat angles C4'-P-C4' energy: -115.622
flat angles P-C4'-P energy: -70.052
tors. eta vs tors. theta energy: -66.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -742.736654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.736654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.736654 (E_RNA)
where:
Base-Base interactions energy: -358.486
where: short stacking energy: -192.780
Base-Backbone interact. energy: 6.748
local terms energy: -390.998921
where:
bonds (distance) C4'-P energy: -103.437
bonds (distance) P-C4' energy: -112.834
flat angles C4'-P-C4' energy: -87.308
flat angles P-C4'-P energy: -67.932
tors. eta vs tors. theta energy: -19.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -474.295121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.295121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.295121 (E_RNA)
where:
Base-Base interactions energy: -183.023
where: short stacking energy: -138.534
Base-Backbone interact. energy: 3.054
local terms energy: -294.325322
where:
bonds (distance) C4'-P energy: -103.714
bonds (distance) P-C4' energy: -93.640
flat angles C4'-P-C4' energy: -74.081
flat angles P-C4'-P energy: -47.856
tors. eta vs tors. theta energy: 24.966
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: 391
Temperature: 0.900000
Total energy: -2098.486406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.486406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.486406 (E_RNA)
where:
Base-Base interactions energy: -1463.262
where: short stacking energy: -607.703
Base-Backbone interact. energy: -1.321
local terms energy: -633.903030
where:
bonds (distance) C4'-P energy: -117.346
bonds (distance) P-C4' energy: -113.441
flat angles C4'-P-C4' energy: -134.346
flat angles P-C4'-P energy: -89.159
tors. eta vs tors. theta energy: -179.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -2044.582530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.582530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.582530 (E_RNA)
where:
Base-Base interactions energy: -1452.573
where: short stacking energy: -591.090
Base-Backbone interact. energy: -1.144
local terms energy: -590.865231
where:
bonds (distance) C4'-P energy: -106.862
bonds (distance) P-C4' energy: -97.827
flat angles C4'-P-C4' energy: -128.799
flat angles P-C4'-P energy: -91.298
tors. eta vs tors. theta energy: -166.079
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: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1955.233643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.233643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.233643 (E_RNA)
where:
Base-Base interactions energy: -1358.898
where: short stacking energy: -540.957
Base-Backbone interact. energy: -0.560
local terms energy: -595.776191
where:
bonds (distance) C4'-P energy: -114.472
bonds (distance) P-C4' energy: -113.327
flat angles C4'-P-C4' energy: -116.243
flat angles P-C4'-P energy: -88.641
tors. eta vs tors. theta energy: -163.093
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: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1808.591587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.591587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.591587 (E_RNA)
where:
Base-Base interactions energy: -1246.661
where: short stacking energy: -528.442
Base-Backbone interact. energy: -1.667
local terms energy: -560.263214
where:
bonds (distance) C4'-P energy: -98.112
bonds (distance) P-C4' energy: -108.855
flat angles C4'-P-C4' energy: -118.670
flat angles P-C4'-P energy: -86.826
tors. eta vs tors. theta energy: -147.800
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: 6
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1845.482473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.482473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.482473 (E_RNA)
where:
Base-Base interactions energy: -1267.775
where: short stacking energy: -517.967
Base-Backbone interact. energy: -2.583
local terms energy: -575.123965
where:
bonds (distance) C4'-P energy: -105.614
bonds (distance) P-C4' energy: -96.257
flat angles C4'-P-C4' energy: -131.277
flat angles P-C4'-P energy: -78.784
tors. eta vs tors. theta energy: -163.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1527.134582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.134582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.134582 (E_RNA)
where:
Base-Base interactions energy: -1049.891
where: short stacking energy: -425.658
Base-Backbone interact. energy: -3.571
local terms energy: -473.672956
where:
bonds (distance) C4'-P energy: -95.831
bonds (distance) P-C4' energy: -105.148
flat angles C4'-P-C4' energy: -111.385
flat angles P-C4'-P energy: -59.203
tors. eta vs tors. theta energy: -102.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1405.738986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.738986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.738986 (E_RNA)
where:
Base-Base interactions energy: -882.707
where: short stacking energy: -401.213
Base-Backbone interact. energy: -2.499
local terms energy: -520.532614
where:
bonds (distance) C4'-P energy: -110.578
bonds (distance) P-C4' energy: -108.539
flat angles C4'-P-C4' energy: -106.447
flat angles P-C4'-P energy: -76.753
tors. eta vs tors. theta energy: -118.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1121.133868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.133868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.133868 (E_RNA)
where:
Base-Base interactions energy: -712.251
where: short stacking energy: -328.507
Base-Backbone interact. energy: -1.968
local terms energy: -406.915001
where:
bonds (distance) C4'-P energy: -100.870
bonds (distance) P-C4' energy: -95.508
flat angles C4'-P-C4' energy: -89.489
flat angles P-C4'-P energy: -55.097
tors. eta vs tors. theta energy: -65.951
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: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -727.727649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.727649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.727649 (E_RNA)
where:
Base-Base interactions energy: -369.776
where: short stacking energy: -206.259
Base-Backbone interact. energy: -1.170
local terms energy: -356.782217
where:
bonds (distance) C4'-P energy: -76.679
bonds (distance) P-C4' energy: -103.324
flat angles C4'-P-C4' energy: -100.453
flat angles P-C4'-P energy: -57.114
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -464.039235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.039235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.039235 (E_RNA)
where:
Base-Base interactions energy: -167.550
where: short stacking energy: -154.030
Base-Backbone interact. energy: 3.004
local terms energy: -299.493243
where:
bonds (distance) C4'-P energy: -77.946
bonds (distance) P-C4' energy: -103.677
flat angles C4'-P-C4' energy: -83.006
flat angles P-C4'-P energy: -54.466
tors. eta vs tors. theta energy: 19.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -2080.205357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2080.205357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2080.205357 (E_RNA)
where:
Base-Base interactions energy: -1456.533
where: short stacking energy: -610.626
Base-Backbone interact. energy: 0.120
local terms energy: -623.792266
where:
bonds (distance) C4'-P energy: -94.108
bonds (distance) P-C4' energy: -120.160
flat angles C4'-P-C4' energy: -133.262
flat angles P-C4'-P energy: -94.682
tors. eta vs tors. theta energy: -181.580
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: 392
Temperature: 0.950000
Total energy: -1976.539936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.539936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.539936 (E_RNA)
where:
Base-Base interactions energy: -1371.535
where: short stacking energy: -564.854
Base-Backbone interact. energy: -4.367
local terms energy: -600.638489
where:
bonds (distance) C4'-P energy: -118.596
bonds (distance) P-C4' energy: -104.085
flat angles C4'-P-C4' energy: -129.618
flat angles P-C4'-P energy: -92.707
tors. eta vs tors. theta energy: -155.632
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: 8
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1916.350683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.350683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.350683 (E_RNA)
where:
Base-Base interactions energy: -1337.489
where: short stacking energy: -554.448
Base-Backbone interact. energy: -4.698
local terms energy: -574.163605
where:
bonds (distance) C4'-P energy: -96.240
bonds (distance) P-C4' energy: -109.832
flat angles C4'-P-C4' energy: -129.448
flat angles P-C4'-P energy: -70.725
tors. eta vs tors. theta energy: -167.919
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: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1804.779566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.779566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.779566 (E_RNA)
where:
Base-Base interactions energy: -1238.230
where: short stacking energy: -532.710
Base-Backbone interact. energy: -1.437
local terms energy: -565.112975
where:
bonds (distance) C4'-P energy: -92.362
bonds (distance) P-C4' energy: -101.202
flat angles C4'-P-C4' energy: -124.534
flat angles P-C4'-P energy: -84.379
tors. eta vs tors. theta energy: -162.636
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: 6
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1836.474030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.474030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.474030 (E_RNA)
where:
Base-Base interactions energy: -1259.416
where: short stacking energy: -499.364
Base-Backbone interact. energy: -0.368
local terms energy: -576.690197
where:
bonds (distance) C4'-P energy: -111.761
bonds (distance) P-C4' energy: -104.955
flat angles C4'-P-C4' energy: -119.984
flat angles P-C4'-P energy: -83.079
tors. eta vs tors. theta energy: -156.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1549.254909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.254909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.254909 (E_RNA)
where:
Base-Base interactions energy: -1066.628
where: short stacking energy: -426.172
Base-Backbone interact. energy: -1.871
local terms energy: -480.755596
where:
bonds (distance) C4'-P energy: -97.728
bonds (distance) P-C4' energy: -89.523
flat angles C4'-P-C4' energy: -94.017
flat angles P-C4'-P energy: -87.879
tors. eta vs tors. theta energy: -111.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1416.245574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.245574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.245574 (E_RNA)
where:
Base-Base interactions energy: -946.762
where: short stacking energy: -432.951
Base-Backbone interact. energy: 2.565
local terms energy: -472.049324
where:
bonds (distance) C4'-P energy: -88.373
bonds (distance) P-C4' energy: -108.524
flat angles C4'-P-C4' energy: -96.747
flat angles P-C4'-P energy: -69.505
tors. eta vs tors. theta energy: -108.900
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: 8, replica: 10
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1030.022482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.022482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.022482 (E_RNA)
where:
Base-Base interactions energy: -635.481
where: short stacking energy: -308.743
Base-Backbone interact. energy: 0.155
local terms energy: -394.695989
where:
bonds (distance) C4'-P energy: -103.415
bonds (distance) P-C4' energy: -93.076
flat angles C4'-P-C4' energy: -85.930
flat angles P-C4'-P energy: -60.340
tors. eta vs tors. theta energy: -51.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -764.556283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.556283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.556283 (E_RNA)
where:
Base-Base interactions energy: -410.121
where: short stacking energy: -209.560
Base-Backbone interact. energy: -0.781
local terms energy: -353.654185
where:
bonds (distance) C4'-P energy: -91.553
bonds (distance) P-C4' energy: -95.771
flat angles C4'-P-C4' energy: -77.861
flat angles P-C4'-P energy: -67.697
tors. eta vs tors. theta energy: -20.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -455.689852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.689852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.689852 (E_RNA)
where:
Base-Base interactions energy: -137.596
where: short stacking energy: -125.707
Base-Backbone interact. energy: -0.518
local terms energy: -317.575655
where:
bonds (distance) C4'-P energy: -92.653
bonds (distance) P-C4' energy: -93.966
flat angles C4'-P-C4' energy: -92.963
flat angles P-C4'-P energy: -52.805
tors. eta vs tors. theta energy: 14.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -2126.020928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.020928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.020928 (E_RNA)
where:
Base-Base interactions energy: -1488.405
where: short stacking energy: -627.978
Base-Backbone interact. energy: -0.655
local terms energy: -636.960918
where:
bonds (distance) C4'-P energy: -117.557
bonds (distance) P-C4' energy: -111.523
flat angles C4'-P-C4' energy: -144.824
flat angles P-C4'-P energy: -81.306
tors. eta vs tors. theta energy: -181.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -2010.356807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.356807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.356807 (E_RNA)
where:
Base-Base interactions energy: -1414.983
where: short stacking energy: -585.197
Base-Backbone interact. energy: -3.216
local terms energy: -592.158017
where:
bonds (distance) C4'-P energy: -107.577
bonds (distance) P-C4' energy: -105.636
flat angles C4'-P-C4' energy: -128.659
flat angles P-C4'-P energy: -81.650
tors. eta vs tors. theta energy: -168.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1915.216939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.216939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.216939 (E_RNA)
where:
Base-Base interactions energy: -1317.656
where: short stacking energy: -541.825
Base-Backbone interact. energy: -1.979
local terms energy: -595.581427
where:
bonds (distance) C4'-P energy: -103.920
bonds (distance) P-C4' energy: -117.628
flat angles C4'-P-C4' energy: -128.316
flat angles P-C4'-P energy: -75.550
tors. eta vs tors. theta energy: -170.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1877.092892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.092892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.092892 (E_RNA)
where:
Base-Base interactions energy: -1312.514
where: short stacking energy: -544.115
Base-Backbone interact. energy: -0.785
local terms energy: -563.794153
where:
bonds (distance) C4'-P energy: -111.044
bonds (distance) P-C4' energy: -98.433
flat angles C4'-P-C4' energy: -117.918
flat angles P-C4'-P energy: -70.618
tors. eta vs tors. theta energy: -165.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1750.682326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.682326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.682326 (E_RNA)
where:
Base-Base interactions energy: -1170.605
where: short stacking energy: -506.520
Base-Backbone interact. energy: -1.389
local terms energy: -578.688574
where:
bonds (distance) C4'-P energy: -109.110
bonds (distance) P-C4' energy: -107.834
flat angles C4'-P-C4' energy: -125.849
flat angles P-C4'-P energy: -79.711
tors. eta vs tors. theta energy: -156.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1562.641045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.641045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.641045 (E_RNA)
where:
Base-Base interactions energy: -1057.025
where: short stacking energy: -456.591
Base-Backbone interact. energy: 1.521
local terms energy: -507.136271
where:
bonds (distance) C4'-P energy: -102.669
bonds (distance) P-C4' energy: -109.027
flat angles C4'-P-C4' energy: -116.087
flat angles P-C4'-P energy: -65.877
tors. eta vs tors. theta energy: -113.477
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: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -1426.312864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.312864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.312864 (E_RNA)
where:
Base-Base interactions energy: -962.581
where: short stacking energy: -434.946
Base-Backbone interact. energy: -1.690
local terms energy: -462.041731
where:
bonds (distance) C4'-P energy: -91.473
bonds (distance) P-C4' energy: -98.597
flat angles C4'-P-C4' energy: -100.602
flat angles P-C4'-P energy: -56.146
tors. eta vs tors. theta energy: -115.223
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: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1003.698522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.698522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.698522 (E_RNA)
where:
Base-Base interactions energy: -606.555
where: short stacking energy: -251.001
Base-Backbone interact. energy: -1.593
local terms energy: -395.551019
where:
bonds (distance) C4'-P energy: -97.084
bonds (distance) P-C4' energy: -114.292
flat angles C4'-P-C4' energy: -89.111
flat angles P-C4'-P energy: -62.374
tors. eta vs tors. theta energy: -32.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -749.051510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.051510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.051510 (E_RNA)
where:
Base-Base interactions energy: -375.065
where: short stacking energy: -215.654
Base-Backbone interact. energy: -1.453
local terms energy: -372.533548
where:
bonds (distance) C4'-P energy: -91.782
bonds (distance) P-C4' energy: -105.020
flat angles C4'-P-C4' energy: -88.386
flat angles P-C4'-P energy: -54.878
tors. eta vs tors. theta energy: -32.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -450.069290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.069290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.069290 (E_RNA)
where:
Base-Base interactions energy: -170.218
where: short stacking energy: -115.674
Base-Backbone interact. energy: -1.793
local terms energy: -278.058097
where:
bonds (distance) C4'-P energy: -100.901
bonds (distance) P-C4' energy: -95.340
flat angles C4'-P-C4' energy: -68.148
flat angles P-C4'-P energy: -33.082
tors. eta vs tors. theta energy: 19.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -2091.181922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.181922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.181922 (E_RNA)
where:
Base-Base interactions energy: -1459.132
where: short stacking energy: -601.193
Base-Backbone interact. energy: 0.465
local terms energy: -632.515341
where:
bonds (distance) C4'-P energy: -118.757
bonds (distance) P-C4' energy: -116.630
flat angles C4'-P-C4' energy: -131.861
flat angles P-C4'-P energy: -90.364
tors. eta vs tors. theta energy: -174.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -2028.176584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.176584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.176584 (E_RNA)
where:
Base-Base interactions energy: -1422.712
where: short stacking energy: -590.749
Base-Backbone interact. energy: -1.767
local terms energy: -603.698203
where:
bonds (distance) C4'-P energy: -95.983
bonds (distance) P-C4' energy: -126.099
flat angles C4'-P-C4' energy: -125.955
flat angles P-C4'-P energy: -85.606
tors. eta vs tors. theta energy: -170.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1946.028508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.028508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.028508 (E_RNA)
where:
Base-Base interactions energy: -1349.747
where: short stacking energy: -585.397
Base-Backbone interact. energy: -1.328
local terms energy: -594.952814
where:
bonds (distance) C4'-P energy: -111.790
bonds (distance) P-C4' energy: -117.750
flat angles C4'-P-C4' energy: -123.934
flat angles P-C4'-P energy: -71.948
tors. eta vs tors. theta energy: -169.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1862.227045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.227045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.227045 (E_RNA)
where:
Base-Base interactions energy: -1297.201
where: short stacking energy: -524.907
Base-Backbone interact. energy: -4.079
local terms energy: -560.946571
where:
bonds (distance) C4'-P energy: -106.288
bonds (distance) P-C4' energy: -107.553
flat angles C4'-P-C4' energy: -120.287
flat angles P-C4'-P energy: -76.644
tors. eta vs tors. theta energy: -150.175
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: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1702.263529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.263529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.263529 (E_RNA)
where:
Base-Base interactions energy: -1168.674
where: short stacking energy: -467.282
Base-Backbone interact. energy: -0.714
local terms energy: -532.875276
where:
bonds (distance) C4'-P energy: -92.671
bonds (distance) P-C4' energy: -106.442
flat angles C4'-P-C4' energy: -119.168
flat angles P-C4'-P energy: -82.450
tors. eta vs tors. theta energy: -132.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1603.051351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.051351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.051351 (E_RNA)
where:
Base-Base interactions energy: -1116.528
where: short stacking energy: -461.381
Base-Backbone interact. energy: 2.094
local terms energy: -488.617029
where:
bonds (distance) C4'-P energy: -87.650
bonds (distance) P-C4' energy: -108.466
flat angles C4'-P-C4' energy: -100.104
flat angles P-C4'-P energy: -67.302
tors. eta vs tors. theta energy: -125.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1396.660431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.660431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.660431 (E_RNA)
where:
Base-Base interactions energy: -936.558
where: short stacking energy: -416.538
Base-Backbone interact. energy: 3.089
local terms energy: -463.191674
where:
bonds (distance) C4'-P energy: -86.228
bonds (distance) P-C4' energy: -101.466
flat angles C4'-P-C4' energy: -108.980
flat angles P-C4'-P energy: -52.705
tors. eta vs tors. theta energy: -113.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1040.262910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.262910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.262910 (E_RNA)
where:
Base-Base interactions energy: -627.361
where: short stacking energy: -291.310
Base-Backbone interact. energy: -2.420
local terms energy: -410.482048
where:
bonds (distance) C4'-P energy: -100.172
bonds (distance) P-C4' energy: -111.794
flat angles C4'-P-C4' energy: -86.304
flat angles P-C4'-P energy: -70.334
tors. eta vs tors. theta energy: -41.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -763.585037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.585037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.585037 (E_RNA)
where:
Base-Base interactions energy: -408.307
where: short stacking energy: -211.961
Base-Backbone interact. energy: 0.444
local terms energy: -355.721545
where:
bonds (distance) C4'-P energy: -91.102
bonds (distance) P-C4' energy: -100.789
flat angles C4'-P-C4' energy: -84.299
flat angles P-C4'-P energy: -47.125
tors. eta vs tors. theta energy: -32.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -448.169611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.169611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.169611 (E_RNA)
where:
Base-Base interactions energy: -169.773
where: short stacking energy: -129.035
Base-Backbone interact. energy: -3.463
local terms energy: -274.933162
where:
bonds (distance) C4'-P energy: -75.648
bonds (distance) P-C4' energy: -95.865
flat angles C4'-P-C4' energy: -75.310
flat angles P-C4'-P energy: -39.757
tors. eta vs tors. theta energy: 11.648
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: 9
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -2073.796882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.796882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.796882 (E_RNA)
where:
Base-Base interactions energy: -1452.934
where: short stacking energy: -594.807
Base-Backbone interact. energy: 2.509
local terms energy: -623.371793
where:
bonds (distance) C4'-P energy: -112.625
bonds (distance) P-C4' energy: -111.776
flat angles C4'-P-C4' energy: -134.694
flat angles P-C4'-P energy: -90.924
tors. eta vs tors. theta energy: -173.352
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: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -2062.614637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2062.614637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2062.614637 (E_RNA)
where:
Base-Base interactions energy: -1428.262
where: short stacking energy: -585.218
Base-Backbone interact. energy: -1.612
local terms energy: -632.739906
where:
bonds (distance) C4'-P energy: -103.674
bonds (distance) P-C4' energy: -121.398
flat angles C4'-P-C4' energy: -130.264
flat angles P-C4'-P energy: -93.024
tors. eta vs tors. theta energy: -184.381
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: 8
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1962.496233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.496233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.496233 (E_RNA)
where:
Base-Base interactions energy: -1361.744
where: short stacking energy: -583.387
Base-Backbone interact. energy: -4.380
local terms energy: -596.372175
where:
bonds (distance) C4'-P energy: -93.898
bonds (distance) P-C4' energy: -108.556
flat angles C4'-P-C4' energy: -142.061
flat angles P-C4'-P energy: -74.803
tors. eta vs tors. theta energy: -177.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1870.353985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.353985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.353985 (E_RNA)
where:
Base-Base interactions energy: -1294.230
where: short stacking energy: -528.653
Base-Backbone interact. energy: 2.085
local terms energy: -578.209060
where:
bonds (distance) C4'-P energy: -113.774
bonds (distance) P-C4' energy: -115.303
flat angles C4'-P-C4' energy: -129.444
flat angles P-C4'-P energy: -68.722
tors. eta vs tors. theta energy: -150.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1698.274006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.274006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.274006 (E_RNA)
where:
Base-Base interactions energy: -1141.632
where: short stacking energy: -464.917
Base-Backbone interact. energy: 4.982
local terms energy: -561.623987
where:
bonds (distance) C4'-P energy: -113.154
bonds (distance) P-C4' energy: -121.769
flat angles C4'-P-C4' energy: -125.828
flat angles P-C4'-P energy: -71.635
tors. eta vs tors. theta energy: -129.239
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: 6, replica: 1
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1578.950214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.950214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.950214 (E_RNA)
where:
Base-Base interactions energy: -1059.787
where: short stacking energy: -449.936
Base-Backbone interact. energy: -1.796
local terms energy: -517.367220
where:
bonds (distance) C4'-P energy: -104.375
bonds (distance) P-C4' energy: -110.260
flat angles C4'-P-C4' energy: -110.373
flat angles P-C4'-P energy: -73.611
tors. eta vs tors. theta energy: -118.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1341.302145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.302145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.302145 (E_RNA)
where:
Base-Base interactions energy: -877.838
where: short stacking energy: -403.567
Base-Backbone interact. energy: 0.887
local terms energy: -464.350678
where:
bonds (distance) C4'-P energy: -96.753
bonds (distance) P-C4' energy: -110.876
flat angles C4'-P-C4' energy: -93.483
flat angles P-C4'-P energy: -48.164
tors. eta vs tors. theta energy: -115.075
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: 10
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1048.042990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.042990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.042990 (E_RNA)
where:
Base-Base interactions energy: -624.880
where: short stacking energy: -281.542
Base-Backbone interact. energy: 1.668
local terms energy: -424.831188
where:
bonds (distance) C4'-P energy: -102.118
bonds (distance) P-C4' energy: -93.775
flat angles C4'-P-C4' energy: -106.766
flat angles P-C4'-P energy: -67.893
tors. eta vs tors. theta energy: -54.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -787.676583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.676583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.676583 (E_RNA)
where:
Base-Base interactions energy: -420.053
where: short stacking energy: -199.150
Base-Backbone interact. energy: -1.905
local terms energy: -365.719072
where:
bonds (distance) C4'-P energy: -92.865
bonds (distance) P-C4' energy: -97.341
flat angles C4'-P-C4' energy: -91.787
flat angles P-C4'-P energy: -71.061
tors. eta vs tors. theta energy: -12.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -458.709091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.709091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.709091 (E_RNA)
where:
Base-Base interactions energy: -156.042
where: short stacking energy: -123.662
Base-Backbone interact. energy: 1.161
local terms energy: -303.828537
where:
bonds (distance) C4'-P energy: -91.327
bonds (distance) P-C4' energy: -118.944
flat angles C4'-P-C4' energy: -70.649
flat angles P-C4'-P energy: -40.603
tors. eta vs tors. theta energy: 17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -2076.290207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2076.290207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2076.290207 (E_RNA)
where:
Base-Base interactions energy: -1460.095
where: short stacking energy: -608.444
Base-Backbone interact. energy: -3.017
local terms energy: -613.178285
where:
bonds (distance) C4'-P energy: -121.484
bonds (distance) P-C4' energy: -112.031
flat angles C4'-P-C4' energy: -128.196
flat angles P-C4'-P energy: -79.279
tors. eta vs tors. theta energy: -172.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -2036.898493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.898493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.898493 (E_RNA)
where:
Base-Base interactions energy: -1415.191
where: short stacking energy: -594.934
Base-Backbone interact. energy: 1.933
local terms energy: -623.640576
where:
bonds (distance) C4'-P energy: -93.348
bonds (distance) P-C4' energy: -121.623
flat angles C4'-P-C4' energy: -139.743
flat angles P-C4'-P energy: -95.274
tors. eta vs tors. theta energy: -173.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1922.342865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.342865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.342865 (E_RNA)
where:
Base-Base interactions energy: -1332.008
where: short stacking energy: -556.088
Base-Backbone interact. energy: -0.307
local terms energy: -590.027574
where:
bonds (distance) C4'-P energy: -87.698
bonds (distance) P-C4' energy: -118.587
flat angles C4'-P-C4' energy: -127.982
flat angles P-C4'-P energy: -87.842
tors. eta vs tors. theta energy: -167.919
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: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1877.171086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.171086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.171086 (E_RNA)
where:
Base-Base interactions energy: -1271.604
where: short stacking energy: -512.534
Base-Backbone interact. energy: -0.480
local terms energy: -605.087099
where:
bonds (distance) C4'-P energy: -110.255
bonds (distance) P-C4' energy: -123.146
flat angles C4'-P-C4' energy: -129.258
flat angles P-C4'-P energy: -82.459
tors. eta vs tors. theta energy: -159.969
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: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1672.214950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.214950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.214950 (E_RNA)
where:
Base-Base interactions energy: -1131.556
where: short stacking energy: -457.249
Base-Backbone interact. energy: 0.994
local terms energy: -541.652873
where:
bonds (distance) C4'-P energy: -110.216
bonds (distance) P-C4' energy: -116.455
flat angles C4'-P-C4' energy: -113.684
flat angles P-C4'-P energy: -81.362
tors. eta vs tors. theta energy: -119.936
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: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1568.673034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.673034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.673034 (E_RNA)
where:
Base-Base interactions energy: -1055.305
where: short stacking energy: -472.926
Base-Backbone interact. energy: -3.190
local terms energy: -510.177855
where:
bonds (distance) C4'-P energy: -90.993
bonds (distance) P-C4' energy: -95.323
flat angles C4'-P-C4' energy: -114.087
flat angles P-C4'-P energy: -84.508
tors. eta vs tors. theta energy: -125.268
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: 3
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1418.424430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.424430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.424430 (E_RNA)
where:
Base-Base interactions energy: -948.291
where: short stacking energy: -400.719
Base-Backbone interact. energy: 1.517
local terms energy: -471.650175
where:
bonds (distance) C4'-P energy: -105.356
bonds (distance) P-C4' energy: -102.577
flat angles C4'-P-C4' energy: -111.282
flat angles P-C4'-P energy: -60.532
tors. eta vs tors. theta energy: -91.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -999.227517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.227517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.227517 (E_RNA)
where:
Base-Base interactions energy: -612.148
where: short stacking energy: -277.410
Base-Backbone interact. energy: -2.057
local terms energy: -385.022593
where:
bonds (distance) C4'-P energy: -78.630
bonds (distance) P-C4' energy: -99.844
flat angles C4'-P-C4' energy: -100.612
flat angles P-C4'-P energy: -50.514
tors. eta vs tors. theta energy: -55.423
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: 4
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -901.818645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.818645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.818645 (E_RNA)
where:
Base-Base interactions energy: -542.525
where: short stacking energy: -256.233
Base-Backbone interact. energy: -1.883
local terms energy: -357.410988
where:
bonds (distance) C4'-P energy: -94.589
bonds (distance) P-C4' energy: -85.624
flat angles C4'-P-C4' energy: -98.640
flat angles P-C4'-P energy: -43.409
tors. eta vs tors. theta energy: -35.148
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: 2
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -448.237337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.237337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.237337 (E_RNA)
where:
Base-Base interactions energy: -167.696
where: short stacking energy: -136.736
Base-Backbone interact. energy: -1.444
local terms energy: -279.097594
where:
bonds (distance) C4'-P energy: -70.709
bonds (distance) P-C4' energy: -106.298
flat angles C4'-P-C4' energy: -88.347
flat angles P-C4'-P energy: -29.686
tors. eta vs tors. theta energy: 15.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -2086.738370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2086.738370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2086.738370 (E_RNA)
where:
Base-Base interactions energy: -1451.402
where: short stacking energy: -597.716
Base-Backbone interact. energy: -3.056
local terms energy: -632.281038
where:
bonds (distance) C4'-P energy: -102.926
bonds (distance) P-C4' energy: -120.694
flat angles C4'-P-C4' energy: -129.457
flat angles P-C4'-P energy: -99.355
tors. eta vs tors. theta energy: -179.848
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: 9
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -2059.347046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.347046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.347046 (E_RNA)
where:
Base-Base interactions energy: -1430.058
where: short stacking energy: -593.441
Base-Backbone interact. energy: 0.914
local terms energy: -630.202807
where:
bonds (distance) C4'-P energy: -107.593
bonds (distance) P-C4' energy: -119.871
flat angles C4'-P-C4' energy: -130.986
flat angles P-C4'-P energy: -91.193
tors. eta vs tors. theta energy: -180.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1952.176190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.176190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.176190 (E_RNA)
where:
Base-Base interactions energy: -1358.486
where: short stacking energy: -582.906
Base-Backbone interact. energy: -2.553
local terms energy: -591.136815
where:
bonds (distance) C4'-P energy: -113.409
bonds (distance) P-C4' energy: -106.052
flat angles C4'-P-C4' energy: -128.153
flat angles P-C4'-P energy: -69.455
tors. eta vs tors. theta energy: -174.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1908.170941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.170941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.170941 (E_RNA)
where:
Base-Base interactions energy: -1323.993
where: short stacking energy: -546.133
Base-Backbone interact. energy: -3.594
local terms energy: -580.584154
where:
bonds (distance) C4'-P energy: -105.556
bonds (distance) P-C4' energy: -100.552
flat angles C4'-P-C4' energy: -130.368
flat angles P-C4'-P energy: -81.234
tors. eta vs tors. theta energy: -162.875
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: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1715.809033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.809033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.809033 (E_RNA)
where:
Base-Base interactions energy: -1165.314
where: short stacking energy: -500.239
Base-Backbone interact. energy: 0.517
local terms energy: -551.012565
where:
bonds (distance) C4'-P energy: -108.772
bonds (distance) P-C4' energy: -114.642
flat angles C4'-P-C4' energy: -125.426
flat angles P-C4'-P energy: -64.534
tors. eta vs tors. theta energy: -137.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1524.745175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1524.745175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1524.745175 (E_RNA)
where:
Base-Base interactions energy: -1036.486
where: short stacking energy: -457.127
Base-Backbone interact. energy: -0.019
local terms energy: -488.240064
where:
bonds (distance) C4'-P energy: -94.436
bonds (distance) P-C4' energy: -94.445
flat angles C4'-P-C4' energy: -110.319
flat angles P-C4'-P energy: -70.877
tors. eta vs tors. theta energy: -118.164
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: 397
Temperature: 1.200000
Total energy: -1398.381747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.381747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.381747 (E_RNA)
where:
Base-Base interactions energy: -910.166
where: short stacking energy: -412.866
Base-Backbone interact. energy: -3.199
local terms energy: -485.016721
where:
bonds (distance) C4'-P energy: -93.876
bonds (distance) P-C4' energy: -106.564
flat angles C4'-P-C4' energy: -112.403
flat angles P-C4'-P energy: -62.983
tors. eta vs tors. theta energy: -109.191
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: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1003.929792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.929792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.929792 (E_RNA)
where:
Base-Base interactions energy: -587.934
where: short stacking energy: -285.543
Base-Backbone interact. energy: -0.690
local terms energy: -415.306368
where:
bonds (distance) C4'-P energy: -84.315
bonds (distance) P-C4' energy: -99.887
flat angles C4'-P-C4' energy: -108.919
flat angles P-C4'-P energy: -69.513
tors. eta vs tors. theta energy: -52.673
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: 4
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -885.302526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.302526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.302526 (E_RNA)
where:
Base-Base interactions energy: -499.916
where: short stacking energy: -263.441
Base-Backbone interact. energy: 0.288
local terms energy: -385.674643
where:
bonds (distance) C4'-P energy: -99.874
bonds (distance) P-C4' energy: -102.665
flat angles C4'-P-C4' energy: -91.388
flat angles P-C4'-P energy: -58.440
tors. eta vs tors. theta energy: -33.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -496.156605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.156605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.156605 (E_RNA)
where:
Base-Base interactions energy: -181.685
where: short stacking energy: -127.703
Base-Backbone interact. energy: -1.810
local terms energy: -312.661130
where:
bonds (distance) C4'-P energy: -75.917
bonds (distance) P-C4' energy: -94.619
flat angles C4'-P-C4' energy: -87.017
flat angles P-C4'-P energy: -61.962
tors. eta vs tors. theta energy: 6.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -2096.281764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.281764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.281764 (E_RNA)
where:
Base-Base interactions energy: -1469.583
where: short stacking energy: -620.357
Base-Backbone interact. energy: 0.295
local terms energy: -626.993764
where:
bonds (distance) C4'-P energy: -120.373
bonds (distance) P-C4' energy: -110.692
flat angles C4'-P-C4' energy: -134.642
flat angles P-C4'-P energy: -85.949
tors. eta vs tors. theta energy: -175.338
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: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -2045.719188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2045.719188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2045.719188 (E_RNA)
where:
Base-Base interactions energy: -1406.529
where: short stacking energy: -584.044
Base-Backbone interact. energy: -3.477
local terms energy: -635.712917
where:
bonds (distance) C4'-P energy: -120.312
bonds (distance) P-C4' energy: -122.111
flat angles C4'-P-C4' energy: -131.985
flat angles P-C4'-P energy: -88.085
tors. eta vs tors. theta energy: -173.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1947.440740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.440740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.440740 (E_RNA)
where:
Base-Base interactions energy: -1360.658
where: short stacking energy: -542.199
Base-Backbone interact. energy: -2.297
local terms energy: -584.485884
where:
bonds (distance) C4'-P energy: -112.869
bonds (distance) P-C4' energy: -110.293
flat angles C4'-P-C4' energy: -112.474
flat angles P-C4'-P energy: -82.044
tors. eta vs tors. theta energy: -166.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1876.427635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.427635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.427635 (E_RNA)
where:
Base-Base interactions energy: -1265.796
where: short stacking energy: -541.571
Base-Backbone interact. energy: -2.043
local terms energy: -608.588915
where:
bonds (distance) C4'-P energy: -106.627
bonds (distance) P-C4' energy: -115.904
flat angles C4'-P-C4' energy: -124.372
flat angles P-C4'-P energy: -86.545
tors. eta vs tors. theta energy: -175.140
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: 1
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1696.698161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.698161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.698161 (E_RNA)
where:
Base-Base interactions energy: -1181.252
where: short stacking energy: -487.689
Base-Backbone interact. energy: -0.122
local terms energy: -515.324460
where:
bonds (distance) C4'-P energy: -93.435
bonds (distance) P-C4' energy: -95.558
flat angles C4'-P-C4' energy: -125.314
flat angles P-C4'-P energy: -65.266
tors. eta vs tors. theta energy: -135.752
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: 5
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1579.085811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.085811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.085811 (E_RNA)
where:
Base-Base interactions energy: -1066.825
where: short stacking energy: -463.782
Base-Backbone interact. energy: 2.652
local terms energy: -514.913452
where:
bonds (distance) C4'-P energy: -88.169
bonds (distance) P-C4' energy: -103.881
flat angles C4'-P-C4' energy: -109.901
flat angles P-C4'-P energy: -75.990
tors. eta vs tors. theta energy: -136.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1339.514663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.514663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.514663 (E_RNA)
where:
Base-Base interactions energy: -849.318
where: short stacking energy: -387.586
Base-Backbone interact. energy: -2.449
local terms energy: -487.747796
where:
bonds (distance) C4'-P energy: -91.720
bonds (distance) P-C4' energy: -101.672
flat angles C4'-P-C4' energy: -119.567
flat angles P-C4'-P energy: -72.703
tors. eta vs tors. theta energy: -102.085
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: 10
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -966.880335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.880335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.880335 (E_RNA)
where:
Base-Base interactions energy: -569.478
where: short stacking energy: -256.011
Base-Backbone interact. energy: 2.191
local terms energy: -399.593789
where:
bonds (distance) C4'-P energy: -100.011
bonds (distance) P-C4' energy: -98.384
flat angles C4'-P-C4' energy: -89.749
flat angles P-C4'-P energy: -68.373
tors. eta vs tors. theta energy: -43.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -859.194783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.194783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.194783 (E_RNA)
where:
Base-Base interactions energy: -491.149
where: short stacking energy: -235.897
Base-Backbone interact. energy: 7.757
local terms energy: -375.802503
where:
bonds (distance) C4'-P energy: -98.593
bonds (distance) P-C4' energy: -97.785
flat angles C4'-P-C4' energy: -99.694
flat angles P-C4'-P energy: -58.899
tors. eta vs tors. theta energy: -20.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -530.460680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.460680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.460680 (E_RNA)
where:
Base-Base interactions energy: -218.402
where: short stacking energy: -159.741
Base-Backbone interact. energy: -1.747
local terms energy: -310.312459
where:
bonds (distance) C4'-P energy: -87.607
bonds (distance) P-C4' energy: -99.574
flat angles C4'-P-C4' energy: -82.420
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: 0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -2082.693234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.693234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.693234 (E_RNA)
where:
Base-Base interactions energy: -1450.408
where: short stacking energy: -594.487
Base-Backbone interact. energy: 0.794
local terms energy: -633.079450
where:
bonds (distance) C4'-P energy: -112.078
bonds (distance) P-C4' energy: -132.953
flat angles C4'-P-C4' energy: -129.470
flat angles P-C4'-P energy: -85.301
tors. eta vs tors. theta energy: -173.278
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: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -2019.897137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.897137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.897137 (E_RNA)
where:
Base-Base interactions energy: -1400.006
where: short stacking energy: -599.508
Base-Backbone interact. energy: -2.490
local terms energy: -617.401285
where:
bonds (distance) C4'-P energy: -106.895
bonds (distance) P-C4' energy: -108.140
flat angles C4'-P-C4' energy: -131.593
flat angles P-C4'-P energy: -83.922
tors. eta vs tors. theta energy: -186.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1947.594548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.594548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.594548 (E_RNA)
where:
Base-Base interactions energy: -1358.252
where: short stacking energy: -587.587
Base-Backbone interact. energy: -1.164
local terms energy: -588.178513
where:
bonds (distance) C4'-P energy: -85.153
bonds (distance) P-C4' energy: -123.733
flat angles C4'-P-C4' energy: -126.730
flat angles P-C4'-P energy: -81.004
tors. eta vs tors. theta energy: -171.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1910.437674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.437674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.437674 (E_RNA)
where:
Base-Base interactions energy: -1335.496
where: short stacking energy: -561.704
Base-Backbone interact. energy: -3.594
local terms energy: -571.347552
where:
bonds (distance) C4'-P energy: -116.163
bonds (distance) P-C4' energy: -109.519
flat angles C4'-P-C4' energy: -118.565
flat angles P-C4'-P energy: -63.945
tors. eta vs tors. theta energy: -163.155
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: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1709.045150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.045150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.045150 (E_RNA)
where:
Base-Base interactions energy: -1153.789
where: short stacking energy: -482.740
Base-Backbone interact. energy: -3.739
local terms energy: -551.517585
where:
bonds (distance) C4'-P energy: -106.054
bonds (distance) P-C4' energy: -107.321
flat angles C4'-P-C4' energy: -124.598
flat angles P-C4'-P energy: -80.354
tors. eta vs tors. theta energy: -133.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1601.896902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.896902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.896902 (E_RNA)
where:
Base-Base interactions energy: -1058.166
where: short stacking energy: -431.900
Base-Backbone interact. energy: 0.320
local terms energy: -544.050749
where:
bonds (distance) C4'-P energy: -108.873
bonds (distance) P-C4' energy: -116.542
flat angles C4'-P-C4' energy: -115.289
flat angles P-C4'-P energy: -77.150
tors. eta vs tors. theta energy: -126.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1353.732954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.732954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.732954 (E_RNA)
where:
Base-Base interactions energy: -866.351
where: short stacking energy: -364.608
Base-Backbone interact. energy: 0.213
local terms energy: -487.594635
where:
bonds (distance) C4'-P energy: -105.866
bonds (distance) P-C4' energy: -103.040
flat angles C4'-P-C4' energy: -108.309
flat angles P-C4'-P energy: -73.256
tors. eta vs tors. theta energy: -97.123
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: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -965.773545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.773545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.773545 (E_RNA)
where:
Base-Base interactions energy: -602.323
where: short stacking energy: -277.203
Base-Backbone interact. energy: -1.825
local terms energy: -361.625180
where:
bonds (distance) C4'-P energy: -74.458
bonds (distance) P-C4' energy: -96.716
flat angles C4'-P-C4' energy: -94.885
flat angles P-C4'-P energy: -54.006
tors. eta vs tors. theta energy: -41.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -867.686630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.686630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.686630 (E_RNA)
where:
Base-Base interactions energy: -505.335
where: short stacking energy: -262.611
Base-Backbone interact. energy: -0.249
local terms energy: -362.103307
where:
bonds (distance) C4'-P energy: -101.449
bonds (distance) P-C4' energy: -91.268
flat angles C4'-P-C4' energy: -79.343
flat angles P-C4'-P energy: -50.885
tors. eta vs tors. theta energy: -39.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -429.169981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.169981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.169981 (E_RNA)
where:
Base-Base interactions energy: -117.970
where: short stacking energy: -106.251
Base-Backbone interact. energy: 0.759
local terms energy: -311.958727
where:
bonds (distance) C4'-P energy: -88.293
bonds (distance) P-C4' energy: -107.553
flat angles C4'-P-C4' energy: -84.369
flat angles P-C4'-P energy: -58.550
tors. eta vs tors. theta energy: 26.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -2068.001241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2068.001241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2068.001241 (E_RNA)
where:
Base-Base interactions energy: -1432.543
where: short stacking energy: -616.806
Base-Backbone interact. energy: -0.763
local terms energy: -634.695921
where:
bonds (distance) C4'-P energy: -121.355
bonds (distance) P-C4' energy: -112.083
flat angles C4'-P-C4' energy: -129.816
flat angles P-C4'-P energy: -84.171
tors. eta vs tors. theta energy: -187.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -2042.068638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.068638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.068638 (E_RNA)
where:
Base-Base interactions energy: -1405.800
where: short stacking energy: -595.214
Base-Backbone interact. energy: -1.643
local terms energy: -634.624703
where:
bonds (distance) C4'-P energy: -111.414
bonds (distance) P-C4' energy: -118.253
flat angles C4'-P-C4' energy: -132.720
flat angles P-C4'-P energy: -97.260
tors. eta vs tors. theta energy: -174.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1974.523743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.523743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.523743 (E_RNA)
where:
Base-Base interactions energy: -1364.017
where: short stacking energy: -562.482
Base-Backbone interact. energy: -4.693
local terms energy: -605.813312
where:
bonds (distance) C4'-P energy: -112.553
bonds (distance) P-C4' energy: -115.267
flat angles C4'-P-C4' energy: -131.795
flat angles P-C4'-P energy: -80.495
tors. eta vs tors. theta energy: -165.703
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: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1891.192682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.192682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.192682 (E_RNA)
where:
Base-Base interactions energy: -1317.615
where: short stacking energy: -544.975
Base-Backbone interact. energy: -2.774
local terms energy: -570.804188
where:
bonds (distance) C4'-P energy: -103.344
bonds (distance) P-C4' energy: -111.558
flat angles C4'-P-C4' energy: -120.763
flat angles P-C4'-P energy: -80.029
tors. eta vs tors. theta energy: -155.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1693.347809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.347809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.347809 (E_RNA)
where:
Base-Base interactions energy: -1141.206
where: short stacking energy: -481.119
Base-Backbone interact. energy: -3.580
local terms energy: -548.561966
where:
bonds (distance) C4'-P energy: -108.138
bonds (distance) P-C4' energy: -110.285
flat angles C4'-P-C4' energy: -117.869
flat angles P-C4'-P energy: -74.899
tors. eta vs tors. theta energy: -137.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1632.856088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.856088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.856088 (E_RNA)
where:
Base-Base interactions energy: -1125.164
where: short stacking energy: -467.452
Base-Backbone interact. energy: -3.102
local terms energy: -504.590151
where:
bonds (distance) C4'-P energy: -105.703
bonds (distance) P-C4' energy: -92.471
flat angles C4'-P-C4' energy: -102.100
flat angles P-C4'-P energy: -64.864
tors. eta vs tors. theta energy: -139.453
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: 400
Temperature: 1.200000
Total energy: -1417.783635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.783635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.783635 (E_RNA)
where:
Base-Base interactions energy: -926.478
where: short stacking energy: -419.955
Base-Backbone interact. energy: -3.464
local terms energy: -487.841397
where:
bonds (distance) C4'-P energy: -85.997
bonds (distance) P-C4' energy: -109.893
flat angles C4'-P-C4' energy: -122.075
flat angles P-C4'-P energy: -55.579
tors. eta vs tors. theta energy: -114.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -982.572385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.572385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.572385 (E_RNA)
where:
Base-Base interactions energy: -550.985
where: short stacking energy: -287.891
Base-Backbone interact. energy: -0.807
local terms energy: -430.779623
where:
bonds (distance) C4'-P energy: -101.133
bonds (distance) P-C4' energy: -122.584
flat angles C4'-P-C4' energy: -98.959
flat angles P-C4'-P energy: -54.137
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: 9, replica: 4
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -849.593323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.593323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.593323 (E_RNA)
where:
Base-Base interactions energy: -463.636
where: short stacking energy: -234.800
Base-Backbone interact. energy: -2.702
local terms energy: -383.255446
where:
bonds (distance) C4'-P energy: -84.695
bonds (distance) P-C4' energy: -90.913
flat angles C4'-P-C4' energy: -108.790
flat angles P-C4'-P energy: -59.776
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: 10, replica: 2
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -441.695968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.695968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.695968 (E_RNA)
where:
Base-Base interactions energy: -128.586
where: short stacking energy: -118.782
Base-Backbone interact. energy: -0.949
local terms energy: -312.160570
where:
bonds (distance) C4'-P energy: -86.954
bonds (distance) P-C4' energy: -103.655
flat angles C4'-P-C4' energy: -95.572
flat angles P-C4'-P energy: -47.816
tors. eta vs tors. theta energy: 21.836
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: 7
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -2059.980285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.980285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.980285 (E_RNA)
where:
Base-Base interactions energy: -1433.995
where: short stacking energy: -599.303
Base-Backbone interact. energy: -3.521
local terms energy: -622.464119
where:
bonds (distance) C4'-P energy: -107.880
bonds (distance) P-C4' energy: -123.464
flat angles C4'-P-C4' energy: -132.140
flat angles P-C4'-P energy: -77.589
tors. eta vs tors. theta energy: -181.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -2070.782626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.782626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.782626 (E_RNA)
where:
Base-Base interactions energy: -1454.015
where: short stacking energy: -602.786
Base-Backbone interact. energy: -3.894
local terms energy: -612.874349
where:
bonds (distance) C4'-P energy: -99.662
bonds (distance) P-C4' energy: -114.598
flat angles C4'-P-C4' energy: -133.221
flat angles P-C4'-P energy: -94.294
tors. eta vs tors. theta energy: -171.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1949.781773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.781773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.781773 (E_RNA)
where:
Base-Base interactions energy: -1339.719
where: short stacking energy: -544.855
Base-Backbone interact. energy: -3.326
local terms energy: -606.735998
where:
bonds (distance) C4'-P energy: -107.338
bonds (distance) P-C4' energy: -119.547
flat angles C4'-P-C4' energy: -127.863
flat angles P-C4'-P energy: -88.723
tors. eta vs tors. theta energy: -163.265
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: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1836.552575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.552575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.552575 (E_RNA)
where:
Base-Base interactions energy: -1281.307
where: short stacking energy: -514.282
Base-Backbone interact. energy: -3.010
local terms energy: -552.236341
where:
bonds (distance) C4'-P energy: -103.168
bonds (distance) P-C4' energy: -107.946
flat angles C4'-P-C4' energy: -123.190
flat angles P-C4'-P energy: -67.917
tors. eta vs tors. theta energy: -150.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1641.307200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.307200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.307200 (E_RNA)
where:
Base-Base interactions energy: -1103.715
where: short stacking energy: -458.496
Base-Backbone interact. energy: 2.538
local terms energy: -540.131045
where:
bonds (distance) C4'-P energy: -103.418
bonds (distance) P-C4' energy: -114.599
flat angles C4'-P-C4' energy: -116.358
flat angles P-C4'-P energy: -75.530
tors. eta vs tors. theta energy: -130.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1623.463964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.463964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.463964 (E_RNA)
where:
Base-Base interactions energy: -1059.546
where: short stacking energy: -461.757
Base-Backbone interact. energy: -0.256
local terms energy: -563.661145
where:
bonds (distance) C4'-P energy: -109.124
bonds (distance) P-C4' energy: -111.947
flat angles C4'-P-C4' energy: -115.292
flat angles P-C4'-P energy: -89.537
tors. eta vs tors. theta energy: -137.761
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: 401
Temperature: 1.200000
Total energy: -1422.215927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.215927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.215927 (E_RNA)
where:
Base-Base interactions energy: -938.104
where: short stacking energy: -436.267
Base-Backbone interact. energy: -1.990
local terms energy: -482.122051
where:
bonds (distance) C4'-P energy: -89.209
bonds (distance) P-C4' energy: -85.891
flat angles C4'-P-C4' energy: -106.428
flat angles P-C4'-P energy: -77.842
tors. eta vs tors. theta energy: -122.752
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: 10
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1014.084877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.084877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.084877 (E_RNA)
where:
Base-Base interactions energy: -601.582
where: short stacking energy: -294.644
Base-Backbone interact. energy: -2.031
local terms energy: -410.472641
where:
bonds (distance) C4'-P energy: -92.365
bonds (distance) P-C4' energy: -101.555
flat angles C4'-P-C4' energy: -98.820
flat angles P-C4'-P energy: -70.075
tors. eta vs tors. theta energy: -47.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -932.387333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.387333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.387333 (E_RNA)
where:
Base-Base interactions energy: -574.241
where: short stacking energy: -272.802
Base-Backbone interact. energy: -2.295
local terms energy: -355.850874
where:
bonds (distance) C4'-P energy: -94.772
bonds (distance) P-C4' energy: -84.885
flat angles C4'-P-C4' energy: -84.464
flat angles P-C4'-P energy: -50.317
tors. eta vs tors. theta energy: -41.413
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: 2
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -442.561664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.561664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.561664 (E_RNA)
where:
Base-Base interactions energy: -157.458
where: short stacking energy: -116.818
Base-Backbone interact. energy: 1.217
local terms energy: -286.320143
where:
bonds (distance) C4'-P energy: -89.657
bonds (distance) P-C4' energy: -88.069
flat angles C4'-P-C4' energy: -90.949
flat angles P-C4'-P energy: -40.755
tors. eta vs tors. theta energy: 23.110
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: 402
Temperature: 0.900000
Total energy: -2066.169593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.169593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.169593 (E_RNA)
where:
Base-Base interactions energy: -1419.516
where: short stacking energy: -616.625
Base-Backbone interact. energy: -2.268
local terms energy: -644.384952
where:
bonds (distance) C4'-P energy: -120.104
bonds (distance) P-C4' energy: -118.039
flat angles C4'-P-C4' energy: -138.105
flat angles P-C4'-P energy: -85.587
tors. eta vs tors. theta energy: -182.550
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: 402
Temperature: 0.950000
Total energy: -2033.086048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.086048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.086048 (E_RNA)
where:
Base-Base interactions energy: -1427.408
where: short stacking energy: -597.594
Base-Backbone interact. energy: 4.385
local terms energy: -610.063468
where:
bonds (distance) C4'-P energy: -118.609
bonds (distance) P-C4' energy: -112.133
flat angles C4'-P-C4' energy: -125.317
flat angles P-C4'-P energy: -87.732
tors. eta vs tors. theta energy: -166.273
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: 6
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1971.276820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.276820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.276820 (E_RNA)
where:
Base-Base interactions energy: -1393.928
where: short stacking energy: -566.581
Base-Backbone interact. energy: -3.791
local terms energy: -573.557829
where:
bonds (distance) C4'-P energy: -95.314
bonds (distance) P-C4' energy: -117.762
flat angles C4'-P-C4' energy: -110.940
flat angles P-C4'-P energy: -79.948
tors. eta vs tors. theta energy: -169.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1781.039942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.039942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.039942 (E_RNA)
where:
Base-Base interactions energy: -1231.506
where: short stacking energy: -522.269
Base-Backbone interact. energy: -0.209
local terms energy: -549.324872
where:
bonds (distance) C4'-P energy: -91.688
bonds (distance) P-C4' energy: -98.707
flat angles C4'-P-C4' energy: -124.892
flat angles P-C4'-P energy: -90.003
tors. eta vs tors. theta energy: -144.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1676.335106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.335106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.335106 (E_RNA)
where:
Base-Base interactions energy: -1130.862
where: short stacking energy: -490.271
Base-Backbone interact. energy: -0.042
local terms energy: -545.431502
where:
bonds (distance) C4'-P energy: -95.033
bonds (distance) P-C4' energy: -101.378
flat angles C4'-P-C4' energy: -127.369
flat angles P-C4'-P energy: -81.609
tors. eta vs tors. theta energy: -140.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1622.491304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.491304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.491304 (E_RNA)
where:
Base-Base interactions energy: -1081.212
where: short stacking energy: -464.179
Base-Backbone interact. energy: 2.257
local terms energy: -543.536210
where:
bonds (distance) C4'-P energy: -107.723
bonds (distance) P-C4' energy: -109.244
flat angles C4'-P-C4' energy: -107.460
flat angles P-C4'-P energy: -84.344
tors. eta vs tors. theta energy: -134.765
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: 402
Temperature: 1.200000
Total energy: -1463.662230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.662230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.662230 (E_RNA)
where:
Base-Base interactions energy: -996.079
where: short stacking energy: -451.323
Base-Backbone interact. energy: -1.161
local terms energy: -466.422041
where:
bonds (distance) C4'-P energy: -89.070
bonds (distance) P-C4' energy: -95.526
flat angles C4'-P-C4' energy: -97.424
flat angles P-C4'-P energy: -72.539
tors. eta vs tors. theta energy: -111.863
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: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -967.644418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.644418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.644418 (E_RNA)
where:
Base-Base interactions energy: -585.881
where: short stacking energy: -276.265
Base-Backbone interact. energy: 0.249
local terms energy: -382.012128
where:
bonds (distance) C4'-P energy: -91.859
bonds (distance) P-C4' energy: -88.626
flat angles C4'-P-C4' energy: -95.133
flat angles P-C4'-P energy: -68.380
tors. eta vs tors. theta energy: -38.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -835.124311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.124311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.124311 (E_RNA)
where:
Base-Base interactions energy: -495.972
where: short stacking energy: -225.399
Base-Backbone interact. energy: -1.592
local terms energy: -337.560602
where:
bonds (distance) C4'-P energy: -88.929
bonds (distance) P-C4' energy: -93.173
flat angles C4'-P-C4' energy: -98.243
flat angles P-C4'-P energy: -50.948
tors. eta vs tors. theta energy: -6.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -440.729837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.729837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.729837 (E_RNA)
where:
Base-Base interactions energy: -158.812
where: short stacking energy: -139.534
Base-Backbone interact. energy: 0.055
local terms energy: -281.972849
where:
bonds (distance) C4'-P energy: -95.962
bonds (distance) P-C4' energy: -98.038
flat angles C4'-P-C4' energy: -73.376
flat angles P-C4'-P energy: -45.063
tors. eta vs tors. theta energy: 30.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -2066.843221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2066.843221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2066.843221 (E_RNA)
where:
Base-Base interactions energy: -1435.356
where: short stacking energy: -621.715
Base-Backbone interact. energy: -0.645
local terms energy: -630.842508
where:
bonds (distance) C4'-P energy: -109.002
bonds (distance) P-C4' energy: -110.575
flat angles C4'-P-C4' energy: -135.841
flat angles P-C4'-P energy: -92.614
tors. eta vs tors. theta energy: -182.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -2054.093633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2054.093633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2054.093633 (E_RNA)
where:
Base-Base interactions energy: -1435.892
where: short stacking energy: -598.365
Base-Backbone interact. energy: -0.968
local terms energy: -617.233746
where:
bonds (distance) C4'-P energy: -113.319
bonds (distance) P-C4' energy: -110.496
flat angles C4'-P-C4' energy: -134.466
flat angles P-C4'-P energy: -93.752
tors. eta vs tors. theta energy: -165.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1988.724906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.724906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.724906 (E_RNA)
where:
Base-Base interactions energy: -1385.295
where: short stacking energy: -531.323
Base-Backbone interact. energy: -3.369
local terms energy: -600.060475
where:
bonds (distance) C4'-P energy: -108.173
bonds (distance) P-C4' energy: -112.474
flat angles C4'-P-C4' energy: -125.964
flat angles P-C4'-P energy: -82.208
tors. eta vs tors. theta energy: -171.242
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: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1851.089275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.089275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.089275 (E_RNA)
where:
Base-Base interactions energy: -1293.321
where: short stacking energy: -515.028
Base-Backbone interact. energy: -0.422
local terms energy: -557.346193
where:
bonds (distance) C4'-P energy: -102.103
bonds (distance) P-C4' energy: -97.448
flat angles C4'-P-C4' energy: -120.081
flat angles P-C4'-P energy: -85.440
tors. eta vs tors. theta energy: -152.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1656.021807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.021807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.021807 (E_RNA)
where:
Base-Base interactions energy: -1149.473
where: short stacking energy: -491.319
Base-Backbone interact. energy: -1.637
local terms energy: -504.911991
where:
bonds (distance) C4'-P energy: -91.386
bonds (distance) P-C4' energy: -97.519
flat angles C4'-P-C4' energy: -105.418
flat angles P-C4'-P energy: -70.409
tors. eta vs tors. theta energy: -140.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1599.067130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.067130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.067130 (E_RNA)
where:
Base-Base interactions energy: -1090.572
where: short stacking energy: -456.868
Base-Backbone interact. energy: -5.315
local terms energy: -503.179997
where:
bonds (distance) C4'-P energy: -99.393
bonds (distance) P-C4' energy: -101.209
flat angles C4'-P-C4' energy: -106.708
flat angles P-C4'-P energy: -68.750
tors. eta vs tors. theta energy: -127.120
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: 3
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1396.160795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.160795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.160795 (E_RNA)
where:
Base-Base interactions energy: -940.475
where: short stacking energy: -416.939
Base-Backbone interact. energy: -2.759
local terms energy: -452.926662
where:
bonds (distance) C4'-P energy: -70.650
bonds (distance) P-C4' energy: -120.872
flat angles C4'-P-C4' energy: -97.365
flat angles P-C4'-P energy: -64.420
tors. eta vs tors. theta energy: -99.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1004.753779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.753779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.753779 (E_RNA)
where:
Base-Base interactions energy: -593.924
where: short stacking energy: -295.315
Base-Backbone interact. energy: -2.905
local terms energy: -407.925402
where:
bonds (distance) C4'-P energy: -96.763
bonds (distance) P-C4' energy: -101.488
flat angles C4'-P-C4' energy: -109.479
flat angles P-C4'-P energy: -60.345
tors. eta vs tors. theta energy: -39.849
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: 9, replica: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -836.757099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.757099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.757099 (E_RNA)
where:
Base-Base interactions energy: -490.357
where: short stacking energy: -226.292
Base-Backbone interact. energy: 0.339
local terms energy: -346.738455
where:
bonds (distance) C4'-P energy: -84.958
bonds (distance) P-C4' energy: -93.096
flat angles C4'-P-C4' energy: -87.640
flat angles P-C4'-P energy: -69.854
tors. eta vs tors. theta energy: -11.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -462.063506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.063506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.063506 (E_RNA)
where:
Base-Base interactions energy: -154.930
where: short stacking energy: -137.329
Base-Backbone interact. energy: -1.337
local terms energy: -305.797183
where:
bonds (distance) C4'-P energy: -102.352
bonds (distance) P-C4' energy: -99.523
flat angles C4'-P-C4' energy: -78.201
flat angles P-C4'-P energy: -44.998
tors. eta vs tors. theta energy: 19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -2098.640831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.640831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.640831 (E_RNA)
where:
Base-Base interactions energy: -1464.728
where: short stacking energy: -595.776
Base-Backbone interact. energy: -1.496
local terms energy: -632.417150
where:
bonds (distance) C4'-P energy: -112.052
bonds (distance) P-C4' energy: -126.903
flat angles C4'-P-C4' energy: -131.978
flat angles P-C4'-P energy: -93.990
tors. eta vs tors. theta energy: -167.494
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: 7
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -2028.303848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.303848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.303848 (E_RNA)
where:
Base-Base interactions energy: -1422.332
where: short stacking energy: -578.663
Base-Backbone interact. energy: -2.189
local terms energy: -603.782177
where:
bonds (distance) C4'-P energy: -105.055
bonds (distance) P-C4' energy: -119.070
flat angles C4'-P-C4' energy: -130.450
flat angles P-C4'-P energy: -81.407
tors. eta vs tors. theta energy: -167.800
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: 6
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1972.787588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.787588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.787588 (E_RNA)
where:
Base-Base interactions energy: -1388.541
where: short stacking energy: -566.073
Base-Backbone interact. energy: 5.676
local terms energy: -589.922906
where:
bonds (distance) C4'-P energy: -98.231
bonds (distance) P-C4' energy: -122.989
flat angles C4'-P-C4' energy: -119.420
flat angles P-C4'-P energy: -84.004
tors. eta vs tors. theta energy: -165.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1817.433569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.433569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.433569 (E_RNA)
where:
Base-Base interactions energy: -1254.479
where: short stacking energy: -518.583
Base-Backbone interact. energy: -2.676
local terms energy: -560.278662
where:
bonds (distance) C4'-P energy: -107.052
bonds (distance) P-C4' energy: -107.805
flat angles C4'-P-C4' energy: -128.926
flat angles P-C4'-P energy: -58.129
tors. eta vs tors. theta energy: -158.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1679.252130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.252130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.252130 (E_RNA)
where:
Base-Base interactions energy: -1121.974
where: short stacking energy: -472.178
Base-Backbone interact. energy: -2.318
local terms energy: -554.960557
where:
bonds (distance) C4'-P energy: -104.866
bonds (distance) P-C4' energy: -111.843
flat angles C4'-P-C4' energy: -122.896
flat angles P-C4'-P energy: -82.489
tors. eta vs tors. theta energy: -132.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1602.089622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.089622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.089622 (E_RNA)
where:
Base-Base interactions energy: -1090.471
where: short stacking energy: -472.137
Base-Backbone interact. energy: -2.542
local terms energy: -509.076335
where:
bonds (distance) C4'-P energy: -84.695
bonds (distance) P-C4' energy: -97.293
flat angles C4'-P-C4' energy: -126.008
flat angles P-C4'-P energy: -70.158
tors. eta vs tors. theta energy: -130.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1384.153982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.153982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.153982 (E_RNA)
where:
Base-Base interactions energy: -902.526
where: short stacking energy: -414.580
Base-Backbone interact. energy: 0.270
local terms energy: -481.898535
where:
bonds (distance) C4'-P energy: -72.438
bonds (distance) P-C4' energy: -104.519
flat angles C4'-P-C4' energy: -108.169
flat angles P-C4'-P energy: -78.245
tors. eta vs tors. theta energy: -118.528
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: 10
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1046.729877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.729877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.729877 (E_RNA)
where:
Base-Base interactions energy: -630.984
where: short stacking energy: -290.615
Base-Backbone interact. energy: -0.677
local terms energy: -415.069175
where:
bonds (distance) C4'-P energy: -72.941
bonds (distance) P-C4' energy: -119.802
flat angles C4'-P-C4' energy: -106.870
flat angles P-C4'-P energy: -57.218
tors. eta vs tors. theta energy: -58.238
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: 4
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -867.968652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.968652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.968652 (E_RNA)
where:
Base-Base interactions energy: -533.181
where: short stacking energy: -278.101
Base-Backbone interact. energy: -2.651
local terms energy: -332.136511
where:
bonds (distance) C4'-P energy: -79.655
bonds (distance) P-C4' energy: -79.627
flat angles C4'-P-C4' energy: -74.776
flat angles P-C4'-P energy: -55.229
tors. eta vs tors. theta energy: -42.851
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: 2
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -445.860022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.860022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.860022 (E_RNA)
where:
Base-Base interactions energy: -171.548
where: short stacking energy: -127.160
Base-Backbone interact. energy: 7.101
local terms energy: -281.413691
where:
bonds (distance) C4'-P energy: -97.760
bonds (distance) P-C4' energy: -107.648
flat angles C4'-P-C4' energy: -61.242
flat angles P-C4'-P energy: -38.561
tors. eta vs tors. theta energy: 23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -2089.425347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2089.425347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2089.425347 (E_RNA)
where:
Base-Base interactions energy: -1451.213
where: short stacking energy: -576.671
Base-Backbone interact. energy: -0.741
local terms energy: -637.471442
where:
bonds (distance) C4'-P energy: -122.838
bonds (distance) P-C4' energy: -117.144
flat angles C4'-P-C4' energy: -130.780
flat angles P-C4'-P energy: -98.498
tors. eta vs tors. theta energy: -168.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -2058.108799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2058.108799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2058.108799 (E_RNA)
where:
Base-Base interactions energy: -1446.221
where: short stacking energy: -608.674
Base-Backbone interact. energy: 1.726
local terms energy: -613.613867
where:
bonds (distance) C4'-P energy: -104.881
bonds (distance) P-C4' energy: -117.925
flat angles C4'-P-C4' energy: -121.950
flat angles P-C4'-P energy: -92.318
tors. eta vs tors. theta energy: -176.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -2003.061111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.061111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.061111 (E_RNA)
where:
Base-Base interactions energy: -1410.707
where: short stacking energy: -600.119
Base-Backbone interact. energy: -3.463
local terms energy: -588.891535
where:
bonds (distance) C4'-P energy: -86.749
bonds (distance) P-C4' energy: -111.058
flat angles C4'-P-C4' energy: -133.455
flat angles P-C4'-P energy: -77.838
tors. eta vs tors. theta energy: -179.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1838.484426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.484426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.484426 (E_RNA)
where:
Base-Base interactions energy: -1271.144
where: short stacking energy: -545.228
Base-Backbone interact. energy: -2.233
local terms energy: -565.107776
where:
bonds (distance) C4'-P energy: -98.989
bonds (distance) P-C4' energy: -113.224
flat angles C4'-P-C4' energy: -122.355
flat angles P-C4'-P energy: -73.045
tors. eta vs tors. theta energy: -157.494
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: 5
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1683.952855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.952855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.952855 (E_RNA)
where:
Base-Base interactions energy: -1146.675
where: short stacking energy: -487.175
Base-Backbone interact. energy: -1.255
local terms energy: -536.023342
where:
bonds (distance) C4'-P energy: -101.394
bonds (distance) P-C4' energy: -97.943
flat angles C4'-P-C4' energy: -119.487
flat angles P-C4'-P energy: -76.215
tors. eta vs tors. theta energy: -140.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1553.130661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.130661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.130661 (E_RNA)
where:
Base-Base interactions energy: -1056.080
where: short stacking energy: -443.150
Base-Backbone interact. energy: 4.135
local terms energy: -501.186283
where:
bonds (distance) C4'-P energy: -110.007
bonds (distance) P-C4' energy: -109.250
flat angles C4'-P-C4' energy: -115.120
flat angles P-C4'-P energy: -65.880
tors. eta vs tors. theta energy: -100.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -1316.941181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.941181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.941181 (E_RNA)
where:
Base-Base interactions energy: -852.701
where: short stacking energy: -378.078
Base-Backbone interact. energy: -0.270
local terms energy: -463.969701
where:
bonds (distance) C4'-P energy: -95.918
bonds (distance) P-C4' energy: -94.336
flat angles C4'-P-C4' energy: -108.361
flat angles P-C4'-P energy: -77.161
tors. eta vs tors. theta energy: -88.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1038.934098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.934098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.934098 (E_RNA)
where:
Base-Base interactions energy: -616.863
where: short stacking energy: -299.853
Base-Backbone interact. energy: -2.065
local terms energy: -420.005330
where:
bonds (distance) C4'-P energy: -104.030
bonds (distance) P-C4' energy: -108.954
flat angles C4'-P-C4' energy: -96.518
flat angles P-C4'-P energy: -52.922
tors. eta vs tors. theta energy: -57.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -833.660724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.660724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.660724 (E_RNA)
where:
Base-Base interactions energy: -482.188
where: short stacking energy: -255.009
Base-Backbone interact. energy: 5.290
local terms energy: -356.762761
where:
bonds (distance) C4'-P energy: -82.959
bonds (distance) P-C4' energy: -85.811
flat angles C4'-P-C4' energy: -94.514
flat angles P-C4'-P energy: -63.175
tors. eta vs tors. theta energy: -30.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -435.344483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.344483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.344483 (E_RNA)
where:
Base-Base interactions energy: -137.164
where: short stacking energy: -123.115
Base-Backbone interact. energy: 5.035
local terms energy: -303.215250
where:
bonds (distance) C4'-P energy: -101.236
bonds (distance) P-C4' energy: -107.033
flat angles C4'-P-C4' energy: -87.652
flat angles P-C4'-P energy: -29.708
tors. eta vs tors. theta energy: 22.414
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: 406
Temperature: 0.900000
Total energy: -2093.638740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.638740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.638740 (E_RNA)
where:
Base-Base interactions energy: -1465.046
where: short stacking energy: -596.799
Base-Backbone interact. energy: 1.723
local terms energy: -630.316020
where:
bonds (distance) C4'-P energy: -113.215
bonds (distance) P-C4' energy: -117.284
flat angles C4'-P-C4' energy: -134.122
flat angles P-C4'-P energy: -95.243
tors. eta vs tors. theta energy: -170.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -2034.052674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.052674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.052674 (E_RNA)
where:
Base-Base interactions energy: -1428.512
where: short stacking energy: -594.953
Base-Backbone interact. energy: 2.474
local terms energy: -608.014848
where:
bonds (distance) C4'-P energy: -105.036
bonds (distance) P-C4' energy: -123.466
flat angles C4'-P-C4' energy: -132.288
flat angles P-C4'-P energy: -76.372
tors. eta vs tors. theta energy: -170.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1969.790142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.790142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.790142 (E_RNA)
where:
Base-Base interactions energy: -1368.157
where: short stacking energy: -573.052
Base-Backbone interact. energy: -1.264
local terms energy: -600.369782
where:
bonds (distance) C4'-P energy: -104.707
bonds (distance) P-C4' energy: -114.571
flat angles C4'-P-C4' energy: -124.058
flat angles P-C4'-P energy: -83.354
tors. eta vs tors. theta energy: -173.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1889.246602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.246602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.246602 (E_RNA)
where:
Base-Base interactions energy: -1310.565
where: short stacking energy: -540.434
Base-Backbone interact. energy: -2.384
local terms energy: -576.297385
where:
bonds (distance) C4'-P energy: -101.694
bonds (distance) P-C4' energy: -107.038
flat angles C4'-P-C4' energy: -116.396
flat angles P-C4'-P energy: -87.162
tors. eta vs tors. theta energy: -164.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1701.193285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.193285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.193285 (E_RNA)
where:
Base-Base interactions energy: -1149.785
where: short stacking energy: -484.109
Base-Backbone interact. energy: -2.522
local terms energy: -548.885832
where:
bonds (distance) C4'-P energy: -98.943
bonds (distance) P-C4' energy: -96.949
flat angles C4'-P-C4' energy: -115.739
flat angles P-C4'-P energy: -84.441
tors. eta vs tors. theta energy: -152.815
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: 406
Temperature: 1.150000
Total energy: -1610.290118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.290118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.290118 (E_RNA)
where:
Base-Base interactions energy: -1090.749
where: short stacking energy: -476.006
Base-Backbone interact. energy: 0.270
local terms energy: -519.810724
where:
bonds (distance) C4'-P energy: -103.722
bonds (distance) P-C4' energy: -102.518
flat angles C4'-P-C4' energy: -104.673
flat angles P-C4'-P energy: -77.909
tors. eta vs tors. theta energy: -130.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1296.344824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.344824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.344824 (E_RNA)
where:
Base-Base interactions energy: -826.872
where: short stacking energy: -381.564
Base-Backbone interact. energy: -0.033
local terms energy: -469.440082
where:
bonds (distance) C4'-P energy: -95.384
bonds (distance) P-C4' energy: -93.720
flat angles C4'-P-C4' energy: -118.891
flat angles P-C4'-P energy: -72.010
tors. eta vs tors. theta energy: -89.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -973.289199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.289199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.289199 (E_RNA)
where:
Base-Base interactions energy: -584.754
where: short stacking energy: -299.906
Base-Backbone interact. energy: -1.829
local terms energy: -386.706084
where:
bonds (distance) C4'-P energy: -101.725
bonds (distance) P-C4' energy: -94.269
flat angles C4'-P-C4' energy: -98.654
flat angles P-C4'-P energy: -43.455
tors. eta vs tors. theta energy: -48.603
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: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -852.710686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.710686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.710686 (E_RNA)
where:
Base-Base interactions energy: -472.042
where: short stacking energy: -221.283
Base-Backbone interact. energy: -0.087
local terms energy: -380.582050
where:
bonds (distance) C4'-P energy: -103.099
bonds (distance) P-C4' energy: -114.270
flat angles C4'-P-C4' energy: -81.577
flat angles P-C4'-P energy: -48.283
tors. eta vs tors. theta energy: -33.354
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: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -478.827261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.827261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.827261 (E_RNA)
where:
Base-Base interactions energy: -167.270
where: short stacking energy: -124.623
Base-Backbone interact. energy: 3.621
local terms energy: -315.178438
where:
bonds (distance) C4'-P energy: -78.064
bonds (distance) P-C4' energy: -104.796
flat angles C4'-P-C4' energy: -105.160
flat angles P-C4'-P energy: -49.813
tors. eta vs tors. theta energy: 22.654
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: 407
Temperature: 0.900000
Total energy: -2113.243633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.243633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.243633 (E_RNA)
where:
Base-Base interactions energy: -1487.282
where: short stacking energy: -619.979
Base-Backbone interact. energy: -0.804
local terms energy: -625.156957
where:
bonds (distance) C4'-P energy: -115.432
bonds (distance) P-C4' energy: -124.524
flat angles C4'-P-C4' energy: -124.411
flat angles P-C4'-P energy: -91.164
tors. eta vs tors. theta energy: -169.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -2042.357776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2042.357776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2042.357776 (E_RNA)
where:
Base-Base interactions energy: -1413.905
where: short stacking energy: -592.391
Base-Backbone interact. energy: -0.924
local terms energy: -627.528529
where:
bonds (distance) C4'-P energy: -123.541
bonds (distance) P-C4' energy: -111.470
flat angles C4'-P-C4' energy: -136.689
flat angles P-C4'-P energy: -80.789
tors. eta vs tors. theta energy: -175.039
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: 3, replica: 6
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1970.304985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.304985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.304985 (E_RNA)
where:
Base-Base interactions energy: -1355.658
where: short stacking energy: -558.998
Base-Backbone interact. energy: -1.966
local terms energy: -612.681171
where:
bonds (distance) C4'-P energy: -111.328
bonds (distance) P-C4' energy: -114.559
flat angles C4'-P-C4' energy: -135.186
flat angles P-C4'-P energy: -84.233
tors. eta vs tors. theta energy: -167.375
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: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1867.999982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.999982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.999982 (E_RNA)
where:
Base-Base interactions energy: -1298.435
where: short stacking energy: -521.122
Base-Backbone interact. energy: 0.750
local terms energy: -570.314931
where:
bonds (distance) C4'-P energy: -94.289
bonds (distance) P-C4' energy: -113.614
flat angles C4'-P-C4' energy: -114.253
flat angles P-C4'-P energy: -81.346
tors. eta vs tors. theta energy: -166.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1690.815378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.815378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.815378 (E_RNA)
where:
Base-Base interactions energy: -1140.805
where: short stacking energy: -487.833
Base-Backbone interact. energy: -1.249
local terms energy: -548.760828
where:
bonds (distance) C4'-P energy: -115.081
bonds (distance) P-C4' energy: -97.645
flat angles C4'-P-C4' energy: -118.090
flat angles P-C4'-P energy: -67.128
tors. eta vs tors. theta energy: -150.817
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: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1586.932570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.932570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.932570 (E_RNA)
where:
Base-Base interactions energy: -1066.067
where: short stacking energy: -449.402
Base-Backbone interact. energy: -0.559
local terms energy: -520.307043
where:
bonds (distance) C4'-P energy: -103.788
bonds (distance) P-C4' energy: -114.731
flat angles C4'-P-C4' energy: -108.365
flat angles P-C4'-P energy: -66.862
tors. eta vs tors. theta energy: -126.561
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: 3
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1323.060005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.060005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.060005 (E_RNA)
where:
Base-Base interactions energy: -837.785
where: short stacking energy: -398.046
Base-Backbone interact. energy: 1.475
local terms energy: -486.750273
where:
bonds (distance) C4'-P energy: -95.399
bonds (distance) P-C4' energy: -108.736
flat angles C4'-P-C4' energy: -118.677
flat angles P-C4'-P energy: -67.427
tors. eta vs tors. theta energy: -96.511
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: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -956.797362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.797362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.797362 (E_RNA)
where:
Base-Base interactions energy: -568.086
where: short stacking energy: -288.730
Base-Backbone interact. energy: 2.055
local terms energy: -390.766684
where:
bonds (distance) C4'-P energy: -91.057
bonds (distance) P-C4' energy: -111.995
flat angles C4'-P-C4' energy: -96.776
flat angles P-C4'-P energy: -52.009
tors. eta vs tors. theta energy: -38.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -844.066538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.066538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.066538 (E_RNA)
where:
Base-Base interactions energy: -484.270
where: short stacking energy: -235.358
Base-Backbone interact. energy: 1.232
local terms energy: -361.028828
where:
bonds (distance) C4'-P energy: -84.284
bonds (distance) P-C4' energy: -96.498
flat angles C4'-P-C4' energy: -89.935
flat angles P-C4'-P energy: -52.614
tors. eta vs tors. theta energy: -37.698
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: 10, replica: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -433.841350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.841350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.841350 (E_RNA)
where:
Base-Base interactions energy: -147.836
where: short stacking energy: -103.304
Base-Backbone interact. energy: 0.804
local terms energy: -286.809113
where:
bonds (distance) C4'-P energy: -95.601
bonds (distance) P-C4' energy: -82.603
flat angles C4'-P-C4' energy: -84.162
flat angles P-C4'-P energy: -52.525
tors. eta vs tors. theta energy: 28.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -2121.266363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.266363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.266363 (E_RNA)
where:
Base-Base interactions energy: -1495.249
where: short stacking energy: -622.387
Base-Backbone interact. energy: -1.268
local terms energy: -624.748956
where:
bonds (distance) C4'-P energy: -103.053
bonds (distance) P-C4' energy: -115.759
flat angles C4'-P-C4' energy: -134.779
flat angles P-C4'-P energy: -93.712
tors. eta vs tors. theta energy: -177.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -2035.839939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.839939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.839939 (E_RNA)
where:
Base-Base interactions energy: -1441.035
where: short stacking energy: -596.138
Base-Backbone interact. energy: -0.481
local terms energy: -594.324136
where:
bonds (distance) C4'-P energy: -98.672
bonds (distance) P-C4' energy: -111.562
flat angles C4'-P-C4' energy: -132.266
flat angles P-C4'-P energy: -70.100
tors. eta vs tors. theta energy: -181.725
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: 6
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1948.163680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.163680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.163680 (E_RNA)
where:
Base-Base interactions energy: -1349.928
where: short stacking energy: -560.586
Base-Backbone interact. energy: -0.780
local terms energy: -597.455497
where:
bonds (distance) C4'-P energy: -109.377
bonds (distance) P-C4' energy: -101.958
flat angles C4'-P-C4' energy: -132.921
flat angles P-C4'-P energy: -90.622
tors. eta vs tors. theta energy: -162.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1825.256044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.256044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.256044 (E_RNA)
where:
Base-Base interactions energy: -1262.206
where: short stacking energy: -526.697
Base-Backbone interact. energy: -0.293
local terms energy: -562.757008
where:
bonds (distance) C4'-P energy: -96.175
bonds (distance) P-C4' energy: -102.252
flat angles C4'-P-C4' energy: -120.897
flat angles P-C4'-P energy: -85.504
tors. eta vs tors. theta energy: -157.929
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: 5
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1666.950977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.950977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.950977 (E_RNA)
where:
Base-Base interactions energy: -1142.180
where: short stacking energy: -498.276
Base-Backbone interact. energy: -2.923
local terms energy: -521.848397
where:
bonds (distance) C4'-P energy: -88.985
bonds (distance) P-C4' energy: -93.739
flat angles C4'-P-C4' energy: -123.158
flat angles P-C4'-P energy: -64.512
tors. eta vs tors. theta energy: -151.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1601.243913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.243913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.243913 (E_RNA)
where:
Base-Base interactions energy: -1049.396
where: short stacking energy: -448.263
Base-Backbone interact. energy: -2.052
local terms energy: -549.796230
where:
bonds (distance) C4'-P energy: -110.878
bonds (distance) P-C4' energy: -101.848
flat angles C4'-P-C4' energy: -120.017
flat angles P-C4'-P energy: -91.606
tors. eta vs tors. theta energy: -125.446
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: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1327.650721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.650721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.650721 (E_RNA)
where:
Base-Base interactions energy: -866.607
where: short stacking energy: -387.553
Base-Backbone interact. energy: -1.081
local terms energy: -459.963183
where:
bonds (distance) C4'-P energy: -78.003
bonds (distance) P-C4' energy: -107.419
flat angles C4'-P-C4' energy: -98.992
flat angles P-C4'-P energy: -78.216
tors. eta vs tors. theta energy: -97.333
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: 8, replica: 10
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -988.035410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.035410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.035410 (E_RNA)
where:
Base-Base interactions energy: -608.607
where: short stacking energy: -282.593
Base-Backbone interact. energy: 0.832
local terms energy: -380.260768
where:
bonds (distance) C4'-P energy: -110.155
bonds (distance) P-C4' energy: -95.996
flat angles C4'-P-C4' energy: -83.925
flat angles P-C4'-P energy: -50.179
tors. eta vs tors. theta energy: -40.006
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: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -838.672652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.672652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.672652 (E_RNA)
where:
Base-Base interactions energy: -491.353
where: short stacking energy: -259.006
Base-Backbone interact. energy: 3.557
local terms energy: -350.875947
where:
bonds (distance) C4'-P energy: -85.415
bonds (distance) P-C4' energy: -102.426
flat angles C4'-P-C4' energy: -93.626
flat angles P-C4'-P energy: -46.561
tors. eta vs tors. theta energy: -22.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -477.895306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.895306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.895306 (E_RNA)
where:
Base-Base interactions energy: -169.014
where: short stacking energy: -114.734
Base-Backbone interact. energy: 2.321
local terms energy: -311.202088
where:
bonds (distance) C4'-P energy: -92.223
bonds (distance) P-C4' energy: -101.151
flat angles C4'-P-C4' energy: -86.631
flat angles P-C4'-P energy: -37.100
tors. eta vs tors. theta energy: 5.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -2127.133842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.133842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.133842 (E_RNA)
where:
Base-Base interactions energy: -1495.575
where: short stacking energy: -611.441
Base-Backbone interact. energy: -0.990
local terms energy: -630.568629
where:
bonds (distance) C4'-P energy: -111.883
bonds (distance) P-C4' energy: -110.073
flat angles C4'-P-C4' energy: -137.606
flat angles P-C4'-P energy: -92.124
tors. eta vs tors. theta energy: -178.883
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: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -2000.350934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.350934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.350934 (E_RNA)
where:
Base-Base interactions energy: -1389.513
where: short stacking energy: -563.044
Base-Backbone interact. energy: -2.600
local terms energy: -608.237721
where:
bonds (distance) C4'-P energy: -101.958
bonds (distance) P-C4' energy: -122.365
flat angles C4'-P-C4' energy: -125.102
flat angles P-C4'-P energy: -91.276
tors. eta vs tors. theta energy: -167.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1936.178671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.178671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.178671 (E_RNA)
where:
Base-Base interactions energy: -1344.358
where: short stacking energy: -540.783
Base-Backbone interact. energy: -3.057
local terms energy: -588.764213
where:
bonds (distance) C4'-P energy: -95.601
bonds (distance) P-C4' energy: -115.772
flat angles C4'-P-C4' energy: -122.742
flat angles P-C4'-P energy: -94.209
tors. eta vs tors. theta energy: -160.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1794.527573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.527573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.527573 (E_RNA)
where:
Base-Base interactions energy: -1218.449
where: short stacking energy: -531.926
Base-Backbone interact. energy: -2.477
local terms energy: -573.601977
where:
bonds (distance) C4'-P energy: -106.712
bonds (distance) P-C4' energy: -114.450
flat angles C4'-P-C4' energy: -131.418
flat angles P-C4'-P energy: -70.063
tors. eta vs tors. theta energy: -150.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1696.391376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.391376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.391376 (E_RNA)
where:
Base-Base interactions energy: -1166.910
where: short stacking energy: -516.692
Base-Backbone interact. energy: 0.993
local terms energy: -530.474598
where:
bonds (distance) C4'-P energy: -104.498
bonds (distance) P-C4' energy: -89.737
flat angles C4'-P-C4' energy: -107.539
flat angles P-C4'-P energy: -89.714
tors. eta vs tors. theta energy: -138.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1565.709442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.709442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.709442 (E_RNA)
where:
Base-Base interactions energy: -1060.025
where: short stacking energy: -433.722
Base-Backbone interact. energy: -0.294
local terms energy: -505.390892
where:
bonds (distance) C4'-P energy: -107.462
bonds (distance) P-C4' energy: -100.398
flat angles C4'-P-C4' energy: -109.994
flat angles P-C4'-P energy: -65.308
tors. eta vs tors. theta energy: -122.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -1361.983480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.983480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.983480 (E_RNA)
where:
Base-Base interactions energy: -903.405
where: short stacking energy: -410.473
Base-Backbone interact. energy: -1.278
local terms energy: -457.300319
where:
bonds (distance) C4'-P energy: -95.154
bonds (distance) P-C4' energy: -98.379
flat angles C4'-P-C4' energy: -90.903
flat angles P-C4'-P energy: -65.881
tors. eta vs tors. theta energy: -106.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -987.445771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.445771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.445771 (E_RNA)
where:
Base-Base interactions energy: -586.812
where: short stacking energy: -295.248
Base-Backbone interact. energy: 1.335
local terms energy: -401.968565
where:
bonds (distance) C4'-P energy: -89.231
bonds (distance) P-C4' energy: -109.561
flat angles C4'-P-C4' energy: -108.803
flat angles P-C4'-P energy: -52.864
tors. eta vs tors. theta energy: -41.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -853.231379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.231379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.231379 (E_RNA)
where:
Base-Base interactions energy: -483.301
where: short stacking energy: -237.211
Base-Backbone interact. energy: -1.454
local terms energy: -368.476162
where:
bonds (distance) C4'-P energy: -109.719
bonds (distance) P-C4' energy: -104.328
flat angles C4'-P-C4' energy: -74.786
flat angles P-C4'-P energy: -48.520
tors. eta vs tors. theta energy: -31.124
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: 2
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -449.578406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.578406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.578406 (E_RNA)
where:
Base-Base interactions energy: -155.768
where: short stacking energy: -111.931
Base-Backbone interact. energy: 3.497
local terms energy: -297.307178
where:
bonds (distance) C4'-P energy: -97.304
bonds (distance) P-C4' energy: -106.955
flat angles C4'-P-C4' energy: -59.719
flat angles P-C4'-P energy: -40.346
tors. eta vs tors. theta energy: 7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -2122.184667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.184667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.184667 (E_RNA)
where:
Base-Base interactions energy: -1477.480
where: short stacking energy: -628.743
Base-Backbone interact. energy: -1.131
local terms energy: -643.574174
where:
bonds (distance) C4'-P energy: -103.631
bonds (distance) P-C4' energy: -121.701
flat angles C4'-P-C4' energy: -139.182
flat angles P-C4'-P energy: -91.369
tors. eta vs tors. theta energy: -187.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -2009.677973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.677973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.677973 (E_RNA)
where:
Base-Base interactions energy: -1385.097
where: short stacking energy: -567.512
Base-Backbone interact. energy: -3.939
local terms energy: -620.641951
where:
bonds (distance) C4'-P energy: -109.508
bonds (distance) P-C4' energy: -122.456
flat angles C4'-P-C4' energy: -133.126
flat angles P-C4'-P energy: -87.756
tors. eta vs tors. theta energy: -167.796
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: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1982.903899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.903899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.903899 (E_RNA)
where:
Base-Base interactions energy: -1406.299
where: short stacking energy: -574.320
Base-Backbone interact. energy: 0.405
local terms energy: -577.009910
where:
bonds (distance) C4'-P energy: -101.123
bonds (distance) P-C4' energy: -102.868
flat angles C4'-P-C4' energy: -124.981
flat angles P-C4'-P energy: -81.016
tors. eta vs tors. theta energy: -167.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1793.597351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.597351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.597351 (E_RNA)
where:
Base-Base interactions energy: -1211.777
where: short stacking energy: -513.858
Base-Backbone interact. energy: -1.992
local terms energy: -579.827717
where:
bonds (distance) C4'-P energy: -113.580
bonds (distance) P-C4' energy: -109.483
flat angles C4'-P-C4' energy: -122.185
flat angles P-C4'-P energy: -86.636
tors. eta vs tors. theta energy: -147.944
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: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1679.170386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.170386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.170386 (E_RNA)
where:
Base-Base interactions energy: -1171.644
where: short stacking energy: -493.005
Base-Backbone interact. energy: -2.111
local terms energy: -505.416176
where:
bonds (distance) C4'-P energy: -93.523
bonds (distance) P-C4' energy: -108.549
flat angles C4'-P-C4' energy: -112.079
flat angles P-C4'-P energy: -75.143
tors. eta vs tors. theta energy: -116.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1626.342811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.342811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.342811 (E_RNA)
where:
Base-Base interactions energy: -1105.784
where: short stacking energy: -469.843
Base-Backbone interact. energy: -2.605
local terms energy: -517.954184
where:
bonds (distance) C4'-P energy: -87.166
bonds (distance) P-C4' energy: -108.563
flat angles C4'-P-C4' energy: -111.188
flat angles P-C4'-P energy: -74.659
tors. eta vs tors. theta energy: -136.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1344.776156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.776156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.776156 (E_RNA)
where:
Base-Base interactions energy: -924.080
where: short stacking energy: -423.991
Base-Backbone interact. energy: 0.348
local terms energy: -421.043555
where:
bonds (distance) C4'-P energy: -88.039
bonds (distance) P-C4' energy: -85.165
flat angles C4'-P-C4' energy: -91.396
flat angles P-C4'-P energy: -54.062
tors. eta vs tors. theta energy: -102.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1002.512572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.512572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.512572 (E_RNA)
where:
Base-Base interactions energy: -569.355
where: short stacking energy: -286.848
Base-Backbone interact. energy: -1.135
local terms energy: -432.022293
where:
bonds (distance) C4'-P energy: -100.807
bonds (distance) P-C4' energy: -106.234
flat angles C4'-P-C4' energy: -94.424
flat angles P-C4'-P energy: -60.197
tors. eta vs tors. theta energy: -70.360
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: 4
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -827.241778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.241778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.241778 (E_RNA)
where:
Base-Base interactions energy: -466.309
where: short stacking energy: -234.869
Base-Backbone interact. energy: 1.417
local terms energy: -362.350409
where:
bonds (distance) C4'-P energy: -77.028
bonds (distance) P-C4' energy: -97.037
flat angles C4'-P-C4' energy: -99.193
flat angles P-C4'-P energy: -48.757
tors. eta vs tors. theta energy: -40.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -447.170706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.170706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.170706 (E_RNA)
where:
Base-Base interactions energy: -160.401
where: short stacking energy: -131.793
Base-Backbone interact. energy: 2.101
local terms energy: -288.871373
where:
bonds (distance) C4'-P energy: -70.379
bonds (distance) P-C4' energy: -102.571
flat angles C4'-P-C4' energy: -68.888
flat angles P-C4'-P energy: -63.641
tors. eta vs tors. theta energy: 16.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -2125.196312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2125.196312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2125.196312 (E_RNA)
where:
Base-Base interactions energy: -1468.389
where: short stacking energy: -622.244
Base-Backbone interact. energy: -1.351
local terms energy: -655.456318
where:
bonds (distance) C4'-P energy: -119.043
bonds (distance) P-C4' energy: -119.047
flat angles C4'-P-C4' energy: -139.187
flat angles P-C4'-P energy: -89.485
tors. eta vs tors. theta energy: -188.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -2022.624786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2022.624786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2022.624786 (E_RNA)
where:
Base-Base interactions energy: -1390.619
where: short stacking energy: -589.137
Base-Backbone interact. energy: -1.734
local terms energy: -630.271231
where:
bonds (distance) C4'-P energy: -114.029
bonds (distance) P-C4' energy: -116.588
flat angles C4'-P-C4' energy: -135.149
flat angles P-C4'-P energy: -94.411
tors. eta vs tors. theta energy: -170.094
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: 3, replica: 6
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1897.851208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.851208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.851208 (E_RNA)
where:
Base-Base interactions energy: -1326.630
where: short stacking energy: -572.206
Base-Backbone interact. energy: -4.300
local terms energy: -566.922055
where:
bonds (distance) C4'-P energy: -96.492
bonds (distance) P-C4' energy: -97.970
flat angles C4'-P-C4' energy: -119.099
flat angles P-C4'-P energy: -84.965
tors. eta vs tors. theta energy: -168.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1801.119536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.119536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.119536 (E_RNA)
where:
Base-Base interactions energy: -1255.066
where: short stacking energy: -529.216
Base-Backbone interact. energy: -0.096
local terms energy: -545.957333
where:
bonds (distance) C4'-P energy: -96.535
bonds (distance) P-C4' energy: -113.936
flat angles C4'-P-C4' energy: -108.952
flat angles P-C4'-P energy: -73.105
tors. eta vs tors. theta energy: -153.429
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: 411
Temperature: 1.100000
Total energy: -1655.854557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.854557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.854557 (E_RNA)
where:
Base-Base interactions energy: -1140.037
where: short stacking energy: -460.084
Base-Backbone interact. energy: -1.062
local terms energy: -514.755475
where:
bonds (distance) C4'-P energy: -87.157
bonds (distance) P-C4' energy: -107.152
flat angles C4'-P-C4' energy: -113.048
flat angles P-C4'-P energy: -74.826
tors. eta vs tors. theta energy: -132.572
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: 5
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1620.192998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.192998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.192998 (E_RNA)
where:
Base-Base interactions energy: -1099.230
where: short stacking energy: -448.709
Base-Backbone interact. energy: -1.590
local terms energy: -519.373651
where:
bonds (distance) C4'-P energy: -93.097
bonds (distance) P-C4' energy: -94.009
flat angles C4'-P-C4' energy: -119.392
flat angles P-C4'-P energy: -83.168
tors. eta vs tors. theta energy: -129.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1256.773443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.773443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.773443 (E_RNA)
where:
Base-Base interactions energy: -799.480
where: short stacking energy: -370.039
Base-Backbone interact. energy: -2.213
local terms energy: -455.080427
where:
bonds (distance) C4'-P energy: -110.131
bonds (distance) P-C4' energy: -73.317
flat angles C4'-P-C4' energy: -109.324
flat angles P-C4'-P energy: -74.164
tors. eta vs tors. theta energy: -88.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -976.064748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.064748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.064748 (E_RNA)
where:
Base-Base interactions energy: -591.482
where: short stacking energy: -280.496
Base-Backbone interact. energy: -1.187
local terms energy: -383.396404
where:
bonds (distance) C4'-P energy: -84.235
bonds (distance) P-C4' energy: -110.906
flat angles C4'-P-C4' energy: -83.720
flat angles P-C4'-P energy: -64.409
tors. eta vs tors. theta energy: -40.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -864.144310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.144310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.144310 (E_RNA)
where:
Base-Base interactions energy: -505.515
where: short stacking energy: -216.625
Base-Backbone interact. energy: -0.632
local terms energy: -357.997706
where:
bonds (distance) C4'-P energy: -100.072
bonds (distance) P-C4' energy: -93.435
flat angles C4'-P-C4' energy: -95.654
flat angles P-C4'-P energy: -56.865
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -447.752162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.752162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.752162 (E_RNA)
where:
Base-Base interactions energy: -127.595
where: short stacking energy: -85.920
Base-Backbone interact. energy: -0.486
local terms energy: -319.672126
where:
bonds (distance) C4'-P energy: -104.042
bonds (distance) P-C4' energy: -96.191
flat angles C4'-P-C4' energy: -95.466
flat angles P-C4'-P energy: -62.611
tors. eta vs tors. theta energy: 38.637
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: 412
Temperature: 0.900000
Total energy: -2105.335819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.335819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.335819 (E_RNA)
where:
Base-Base interactions energy: -1463.223
where: short stacking energy: -621.462
Base-Backbone interact. energy: -0.386
local terms energy: -641.727262
where:
bonds (distance) C4'-P energy: -129.636
bonds (distance) P-C4' energy: -121.104
flat angles C4'-P-C4' energy: -121.357
flat angles P-C4'-P energy: -89.261
tors. eta vs tors. theta energy: -180.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -2015.467235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2015.467235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2015.467235 (E_RNA)
where:
Base-Base interactions energy: -1401.520
where: short stacking energy: -574.425
Base-Backbone interact. energy: -1.107
local terms energy: -612.840567
where:
bonds (distance) C4'-P energy: -109.909
bonds (distance) P-C4' energy: -108.177
flat angles C4'-P-C4' energy: -127.258
flat angles P-C4'-P energy: -88.106
tors. eta vs tors. theta energy: -179.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1891.514508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.514508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.514508 (E_RNA)
where:
Base-Base interactions energy: -1303.489
where: short stacking energy: -548.450
Base-Backbone interact. energy: -3.806
local terms energy: -584.219408
where:
bonds (distance) C4'-P energy: -108.374
bonds (distance) P-C4' energy: -98.751
flat angles C4'-P-C4' energy: -123.656
flat angles P-C4'-P energy: -84.450
tors. eta vs tors. theta energy: -168.988
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: 8
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1831.676932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.676932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.676932 (E_RNA)
where:
Base-Base interactions energy: -1243.756
where: short stacking energy: -519.970
Base-Backbone interact. energy: -3.931
local terms energy: -583.989921
where:
bonds (distance) C4'-P energy: -105.623
bonds (distance) P-C4' energy: -116.655
flat angles C4'-P-C4' energy: -126.924
flat angles P-C4'-P energy: -77.862
tors. eta vs tors. theta energy: -156.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1678.839970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.839970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.839970 (E_RNA)
where:
Base-Base interactions energy: -1141.628
where: short stacking energy: -486.586
Base-Backbone interact. energy: -0.271
local terms energy: -536.941508
where:
bonds (distance) C4'-P energy: -105.433
bonds (distance) P-C4' energy: -111.013
flat angles C4'-P-C4' energy: -114.309
flat angles P-C4'-P energy: -73.517
tors. eta vs tors. theta energy: -132.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1630.067152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.067152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.067152 (E_RNA)
where:
Base-Base interactions energy: -1117.425
where: short stacking energy: -495.734
Base-Backbone interact. energy: -1.265
local terms energy: -511.377341
where:
bonds (distance) C4'-P energy: -98.568
bonds (distance) P-C4' energy: -103.284
flat angles C4'-P-C4' energy: -102.632
flat angles P-C4'-P energy: -76.133
tors. eta vs tors. theta energy: -130.759
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: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1255.479141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.479141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.479141 (E_RNA)
where:
Base-Base interactions energy: -809.310
where: short stacking energy: -344.039
Base-Backbone interact. energy: -3.015
local terms energy: -443.154398
where:
bonds (distance) C4'-P energy: -86.403
bonds (distance) P-C4' energy: -102.499
flat angles C4'-P-C4' energy: -102.372
flat angles P-C4'-P energy: -59.593
tors. eta vs tors. theta energy: -92.288
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: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -946.142516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.142516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.142516 (E_RNA)
where:
Base-Base interactions energy: -573.062
where: short stacking energy: -278.769
Base-Backbone interact. energy: -0.087
local terms energy: -372.993290
where:
bonds (distance) C4'-P energy: -86.675
bonds (distance) P-C4' energy: -91.462
flat angles C4'-P-C4' energy: -107.017
flat angles P-C4'-P energy: -47.787
tors. eta vs tors. theta energy: -40.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -909.636521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.636521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.636521 (E_RNA)
where:
Base-Base interactions energy: -541.247
where: short stacking energy: -255.430
Base-Backbone interact. energy: 0.100
local terms energy: -368.488839
where:
bonds (distance) C4'-P energy: -101.919
bonds (distance) P-C4' energy: -102.221
flat angles C4'-P-C4' energy: -82.013
flat angles P-C4'-P energy: -61.761
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -434.241486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.241486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.241486 (E_RNA)
where:
Base-Base interactions energy: -171.659
where: short stacking energy: -130.253
Base-Backbone interact. energy: -3.440
local terms energy: -259.142680
where:
bonds (distance) C4'-P energy: -93.984
bonds (distance) P-C4' energy: -99.459
flat angles C4'-P-C4' energy: -63.795
flat angles P-C4'-P energy: -33.735
tors. eta vs tors. theta energy: 31.830
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: 9
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -2118.853996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2118.853996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2118.853996 (E_RNA)
where:
Base-Base interactions energy: -1470.626
where: short stacking energy: -618.399
Base-Backbone interact. energy: -2.149
local terms energy: -646.078164
where:
bonds (distance) C4'-P energy: -116.067
bonds (distance) P-C4' energy: -127.549
flat angles C4'-P-C4' energy: -132.024
flat angles P-C4'-P energy: -85.368
tors. eta vs tors. theta energy: -185.070
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: 413
Temperature: 0.950000
Total energy: -2039.984727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2039.984727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2039.984727 (E_RNA)
where:
Base-Base interactions energy: -1439.068
where: short stacking energy: -592.740
Base-Backbone interact. energy: -2.160
local terms energy: -598.756728
where:
bonds (distance) C4'-P energy: -112.345
bonds (distance) P-C4' energy: -93.218
flat angles C4'-P-C4' energy: -132.247
flat angles P-C4'-P energy: -88.044
tors. eta vs tors. theta energy: -172.903
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: 6
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1958.547348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.547348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.547348 (E_RNA)
where:
Base-Base interactions energy: -1358.103
where: short stacking energy: -590.262
Base-Backbone interact. energy: -0.548
local terms energy: -599.895611
where:
bonds (distance) C4'-P energy: -103.966
bonds (distance) P-C4' energy: -115.814
flat angles C4'-P-C4' energy: -125.850
flat angles P-C4'-P energy: -75.139
tors. eta vs tors. theta energy: -179.126
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: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1809.012323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.012323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.012323 (E_RNA)
where:
Base-Base interactions energy: -1262.120
where: short stacking energy: -536.427
Base-Backbone interact. energy: -1.505
local terms energy: -545.387445
where:
bonds (distance) C4'-P energy: -84.745
bonds (distance) P-C4' energy: -113.820
flat angles C4'-P-C4' energy: -114.955
flat angles P-C4'-P energy: -80.300
tors. eta vs tors. theta energy: -151.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1696.443635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.443635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.443635 (E_RNA)
where:
Base-Base interactions energy: -1145.046
where: short stacking energy: -510.886
Base-Backbone interact. energy: -2.236
local terms energy: -549.161501
where:
bonds (distance) C4'-P energy: -106.827
bonds (distance) P-C4' energy: -107.129
flat angles C4'-P-C4' energy: -93.708
flat angles P-C4'-P energy: -85.492
tors. eta vs tors. theta energy: -156.005
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: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1563.955444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.955444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.955444 (E_RNA)
where:
Base-Base interactions energy: -1071.291
where: short stacking energy: -433.076
Base-Backbone interact. energy: -3.021
local terms energy: -489.643318
where:
bonds (distance) C4'-P energy: -104.455
bonds (distance) P-C4' energy: -95.939
flat angles C4'-P-C4' energy: -108.960
flat angles P-C4'-P energy: -87.274
tors. eta vs tors. theta energy: -93.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1300.209554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.209554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.209554 (E_RNA)
where:
Base-Base interactions energy: -843.704
where: short stacking energy: -360.600
Base-Backbone interact. energy: -0.919
local terms energy: -455.585982
where:
bonds (distance) C4'-P energy: -98.290
bonds (distance) P-C4' energy: -112.275
flat angles C4'-P-C4' energy: -98.281
flat angles P-C4'-P energy: -54.837
tors. eta vs tors. theta energy: -91.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -936.477301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.477301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.477301 (E_RNA)
where:
Base-Base interactions energy: -567.831
where: short stacking energy: -257.733
Base-Backbone interact. energy: -1.272
local terms energy: -367.374281
where:
bonds (distance) C4'-P energy: -99.345
bonds (distance) P-C4' energy: -92.917
flat angles C4'-P-C4' energy: -98.774
flat angles P-C4'-P energy: -56.890
tors. eta vs tors. theta energy: -19.448
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: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -920.535970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.535970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.535970 (E_RNA)
where:
Base-Base interactions energy: -534.130
where: short stacking energy: -249.446
Base-Backbone interact. energy: -3.425
local terms energy: -382.980970
where:
bonds (distance) C4'-P energy: -118.294
bonds (distance) P-C4' energy: -83.310
flat angles C4'-P-C4' energy: -103.412
flat angles P-C4'-P energy: -47.909
tors. eta vs tors. theta energy: -30.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -451.473109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.473109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.473109 (E_RNA)
where:
Base-Base interactions energy: -149.407
where: short stacking energy: -107.052
Base-Backbone interact. energy: -1.749
local terms energy: -300.317638
where:
bonds (distance) C4'-P energy: -100.113
bonds (distance) P-C4' energy: -99.241
flat angles C4'-P-C4' energy: -93.144
flat angles P-C4'-P energy: -47.431
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: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -2102.839085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.839085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.839085 (E_RNA)
where:
Base-Base interactions energy: -1472.889
where: short stacking energy: -597.189
Base-Backbone interact. energy: -1.580
local terms energy: -628.370621
where:
bonds (distance) C4'-P energy: -122.100
bonds (distance) P-C4' energy: -113.258
flat angles C4'-P-C4' energy: -124.407
flat angles P-C4'-P energy: -85.020
tors. eta vs tors. theta energy: -183.585
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: 414
Temperature: 0.950000
Total energy: -2036.107930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2036.107930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2036.107930 (E_RNA)
where:
Base-Base interactions energy: -1432.203
where: short stacking energy: -603.401
Base-Backbone interact. energy: -2.913
local terms energy: -600.991592
where:
bonds (distance) C4'-P energy: -118.178
bonds (distance) P-C4' energy: -111.285
flat angles C4'-P-C4' energy: -123.481
flat angles P-C4'-P energy: -77.830
tors. eta vs tors. theta energy: -170.218
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: 6
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1970.673302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.673302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.673302 (E_RNA)
where:
Base-Base interactions energy: -1376.967
where: short stacking energy: -576.559
Base-Backbone interact. energy: 0.935
local terms energy: -594.641607
where:
bonds (distance) C4'-P energy: -111.220
bonds (distance) P-C4' energy: -112.132
flat angles C4'-P-C4' energy: -126.547
flat angles P-C4'-P energy: -62.523
tors. eta vs tors. theta energy: -182.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1778.856948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.856948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.856948 (E_RNA)
where:
Base-Base interactions energy: -1174.073
where: short stacking energy: -521.981
Base-Backbone interact. energy: -1.583
local terms energy: -603.201553
where:
bonds (distance) C4'-P energy: -120.962
bonds (distance) P-C4' energy: -106.239
flat angles C4'-P-C4' energy: -134.685
flat angles P-C4'-P energy: -77.627
tors. eta vs tors. theta energy: -163.690
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: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1654.096280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.096280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.096280 (E_RNA)
where:
Base-Base interactions energy: -1160.062
where: short stacking energy: -466.137
Base-Backbone interact. energy: 5.065
local terms energy: -499.099168
where:
bonds (distance) C4'-P energy: -84.360
bonds (distance) P-C4' energy: -97.973
flat angles C4'-P-C4' energy: -122.876
flat angles P-C4'-P energy: -63.219
tors. eta vs tors. theta energy: -130.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1628.922218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.922218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.922218 (E_RNA)
where:
Base-Base interactions energy: -1130.527
where: short stacking energy: -479.311
Base-Backbone interact. energy: -1.342
local terms energy: -497.052479
where:
bonds (distance) C4'-P energy: -88.169
bonds (distance) P-C4' energy: -85.008
flat angles C4'-P-C4' energy: -105.523
flat angles P-C4'-P energy: -78.324
tors. eta vs tors. theta energy: -140.028
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: 414
Temperature: 1.200000
Total energy: -1318.189337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.189337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.189337 (E_RNA)
where:
Base-Base interactions energy: -855.833
where: short stacking energy: -378.443
Base-Backbone interact. energy: -0.467
local terms energy: -461.889706
where:
bonds (distance) C4'-P energy: -96.445
bonds (distance) P-C4' energy: -100.955
flat angles C4'-P-C4' energy: -101.410
flat angles P-C4'-P energy: -77.216
tors. eta vs tors. theta energy: -85.863
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: 8, replica: 4
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -941.632552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.632552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.632552 (E_RNA)
where:
Base-Base interactions energy: -570.623
where: short stacking energy: -258.690
Base-Backbone interact. energy: 0.046
local terms energy: -371.055670
where:
bonds (distance) C4'-P energy: -95.322
bonds (distance) P-C4' energy: -103.468
flat angles C4'-P-C4' energy: -87.551
flat angles P-C4'-P energy: -60.825
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: 10
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -879.115689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.115689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.115689 (E_RNA)
where:
Base-Base interactions energy: -515.465
where: short stacking energy: -238.438
Base-Backbone interact. energy: 0.855
local terms energy: -364.505814
where:
bonds (distance) C4'-P energy: -100.718
bonds (distance) P-C4' energy: -101.593
flat angles C4'-P-C4' energy: -79.847
flat angles P-C4'-P energy: -56.564
tors. eta vs tors. theta energy: -25.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -522.203797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -522.203797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -522.203797 (E_RNA)
where:
Base-Base interactions energy: -230.562
where: short stacking energy: -126.344
Base-Backbone interact. energy: -1.610
local terms energy: -290.031196
where:
bonds (distance) C4'-P energy: -86.488
bonds (distance) P-C4' energy: -95.420
flat angles C4'-P-C4' energy: -97.811
flat angles P-C4'-P energy: -41.858
tors. eta vs tors. theta energy: 31.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -2109.637083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2109.637083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2109.637083 (E_RNA)
where:
Base-Base interactions energy: -1486.450
where: short stacking energy: -604.597
Base-Backbone interact. energy: 3.222
local terms energy: -626.409623
where:
bonds (distance) C4'-P energy: -109.610
bonds (distance) P-C4' energy: -113.947
flat angles C4'-P-C4' energy: -138.394
flat angles P-C4'-P energy: -90.201
tors. eta vs tors. theta energy: -174.258
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: 7
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -2033.419972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.419972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.419972 (E_RNA)
where:
Base-Base interactions energy: -1410.672
where: short stacking energy: -582.262
Base-Backbone interact. energy: -0.889
local terms energy: -621.859476
where:
bonds (distance) C4'-P energy: -110.000
bonds (distance) P-C4' energy: -126.015
flat angles C4'-P-C4' energy: -123.461
flat angles P-C4'-P energy: -91.209
tors. eta vs tors. theta energy: -171.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1938.418488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.418488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.418488 (E_RNA)
where:
Base-Base interactions energy: -1351.985
where: short stacking energy: -573.073
Base-Backbone interact. energy: -0.005
local terms energy: -586.428378
where:
bonds (distance) C4'-P energy: -108.565
bonds (distance) P-C4' energy: -92.550
flat angles C4'-P-C4' energy: -128.313
flat angles P-C4'-P energy: -83.389
tors. eta vs tors. theta energy: -173.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1829.420048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.420048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.420048 (E_RNA)
where:
Base-Base interactions energy: -1248.851
where: short stacking energy: -544.923
Base-Backbone interact. energy: 0.778
local terms energy: -581.347592
where:
bonds (distance) C4'-P energy: -101.612
bonds (distance) P-C4' energy: -110.784
flat angles C4'-P-C4' energy: -123.682
flat angles P-C4'-P energy: -82.735
tors. eta vs tors. theta energy: -162.535
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: 1
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1675.698064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.698064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.698064 (E_RNA)
where:
Base-Base interactions energy: -1146.861
where: short stacking energy: -467.230
Base-Backbone interact. energy: -1.905
local terms energy: -526.931471
where:
bonds (distance) C4'-P energy: -104.668
bonds (distance) P-C4' energy: -120.154
flat angles C4'-P-C4' energy: -108.065
flat angles P-C4'-P energy: -76.947
tors. eta vs tors. theta energy: -117.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1600.118008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.118008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.118008 (E_RNA)
where:
Base-Base interactions energy: -1083.362
where: short stacking energy: -461.307
Base-Backbone interact. energy: -1.402
local terms energy: -515.353930
where:
bonds (distance) C4'-P energy: -88.396
bonds (distance) P-C4' energy: -106.936
flat angles C4'-P-C4' energy: -108.905
flat angles P-C4'-P energy: -78.223
tors. eta vs tors. theta energy: -132.895
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: 7, replica: 3
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1284.170269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.170269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.170269 (E_RNA)
where:
Base-Base interactions energy: -804.981
where: short stacking energy: -375.529
Base-Backbone interact. energy: -0.640
local terms energy: -478.548377
where:
bonds (distance) C4'-P energy: -81.312
bonds (distance) P-C4' energy: -119.263
flat angles C4'-P-C4' energy: -110.367
flat angles P-C4'-P energy: -74.986
tors. eta vs tors. theta energy: -92.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -964.170454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.170454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.170454 (E_RNA)
where:
Base-Base interactions energy: -575.129
where: short stacking energy: -261.781
Base-Backbone interact. energy: -2.024
local terms energy: -387.018024
where:
bonds (distance) C4'-P energy: -91.820
bonds (distance) P-C4' energy: -89.599
flat angles C4'-P-C4' energy: -94.050
flat angles P-C4'-P energy: -56.656
tors. eta vs tors. theta energy: -54.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -948.035779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.035779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.035779 (E_RNA)
where:
Base-Base interactions energy: -596.767
where: short stacking energy: -284.387
Base-Backbone interact. energy: -1.236
local terms energy: -350.031922
where:
bonds (distance) C4'-P energy: -86.068
bonds (distance) P-C4' energy: -97.246
flat angles C4'-P-C4' energy: -89.919
flat angles P-C4'-P energy: -47.389
tors. eta vs tors. theta energy: -29.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -531.343008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.343008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.343008 (E_RNA)
where:
Base-Base interactions energy: -244.626
where: short stacking energy: -162.173
Base-Backbone interact. energy: 7.354
local terms energy: -294.070820
where:
bonds (distance) C4'-P energy: -101.106
bonds (distance) P-C4' energy: -93.662
flat angles C4'-P-C4' energy: -66.041
flat angles P-C4'-P energy: -44.942
tors. eta vs tors. theta energy: 11.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -2090.185533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.185533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.185533 (E_RNA)
where:
Base-Base interactions energy: -1466.737
where: short stacking energy: -616.363
Base-Backbone interact. energy: 0.499
local terms energy: -623.947888
where:
bonds (distance) C4'-P energy: -105.672
bonds (distance) P-C4' energy: -116.170
flat angles C4'-P-C4' energy: -140.702
flat angles P-C4'-P energy: -89.273
tors. eta vs tors. theta energy: -172.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1991.497149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.497149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.497149 (E_RNA)
where:
Base-Base interactions energy: -1391.199
where: short stacking energy: -586.238
Base-Backbone interact. energy: -1.798
local terms energy: -598.499232
where:
bonds (distance) C4'-P energy: -99.143
bonds (distance) P-C4' energy: -102.642
flat angles C4'-P-C4' energy: -132.230
flat angles P-C4'-P energy: -92.333
tors. eta vs tors. theta energy: -172.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1960.681701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.681701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.681701 (E_RNA)
where:
Base-Base interactions energy: -1352.942
where: short stacking energy: -575.783
Base-Backbone interact. energy: -2.505
local terms energy: -605.234759
where:
bonds (distance) C4'-P energy: -107.334
bonds (distance) P-C4' energy: -117.120
flat angles C4'-P-C4' energy: -125.037
flat angles P-C4'-P energy: -82.156
tors. eta vs tors. theta energy: -173.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1761.508473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.508473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.508473 (E_RNA)
where:
Base-Base interactions energy: -1193.713
where: short stacking energy: -511.818
Base-Backbone interact. energy: -1.858
local terms energy: -565.937568
where:
bonds (distance) C4'-P energy: -104.571
bonds (distance) P-C4' energy: -108.004
flat angles C4'-P-C4' energy: -125.737
flat angles P-C4'-P energy: -81.759
tors. eta vs tors. theta energy: -145.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1736.686167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.686167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.686167 (E_RNA)
where:
Base-Base interactions energy: -1196.634
where: short stacking energy: -466.068
Base-Backbone interact. energy: -1.736
local terms energy: -538.316204
where:
bonds (distance) C4'-P energy: -109.239
bonds (distance) P-C4' energy: -105.507
flat angles C4'-P-C4' energy: -113.525
flat angles P-C4'-P energy: -79.302
tors. eta vs tors. theta energy: -130.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1599.733200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.733200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.733200 (E_RNA)
where:
Base-Base interactions energy: -1095.627
where: short stacking energy: -478.401
Base-Backbone interact. energy: -2.764
local terms energy: -501.341761
where:
bonds (distance) C4'-P energy: -84.715
bonds (distance) P-C4' energy: -96.618
flat angles C4'-P-C4' energy: -111.078
flat angles P-C4'-P energy: -77.237
tors. eta vs tors. theta energy: -131.694
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: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1328.089030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.089030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.089030 (E_RNA)
where:
Base-Base interactions energy: -869.852
where: short stacking energy: -399.856
Base-Backbone interact. energy: 2.142
local terms energy: -460.378993
where:
bonds (distance) C4'-P energy: -97.069
bonds (distance) P-C4' energy: -96.189
flat angles C4'-P-C4' energy: -96.028
flat angles P-C4'-P energy: -71.532
tors. eta vs tors. theta energy: -99.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1026.728440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.728440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.728440 (E_RNA)
where:
Base-Base interactions energy: -625.722
where: short stacking energy: -313.123
Base-Backbone interact. energy: -0.377
local terms energy: -400.630027
where:
bonds (distance) C4'-P energy: -78.275
bonds (distance) P-C4' energy: -106.722
flat angles C4'-P-C4' energy: -102.436
flat angles P-C4'-P energy: -63.173
tors. eta vs tors. theta energy: -50.024
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: 9, replica: 4
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -873.335028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.335028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.335028 (E_RNA)
where:
Base-Base interactions energy: -545.182
where: short stacking energy: -251.356
Base-Backbone interact. energy: 1.089
local terms energy: -329.241696
where:
bonds (distance) C4'-P energy: -96.893
bonds (distance) P-C4' energy: -100.151
flat angles C4'-P-C4' energy: -79.754
flat angles P-C4'-P energy: -41.517
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -585.573883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.573883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.573883 (E_RNA)
where:
Base-Base interactions energy: -292.382
where: short stacking energy: -151.079
Base-Backbone interact. energy: -2.953
local terms energy: -290.239152
where:
bonds (distance) C4'-P energy: -82.912
bonds (distance) P-C4' energy: -109.349
flat angles C4'-P-C4' energy: -84.873
flat angles P-C4'-P energy: -34.485
tors. eta vs tors. theta energy: 21.380
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: 1, replica: 9
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -2120.328448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.328448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.328448 (E_RNA)
where:
Base-Base interactions energy: -1491.729
where: short stacking energy: -618.816
Base-Backbone interact. energy: -0.657
local terms energy: -627.942676
where:
bonds (distance) C4'-P energy: -114.464
bonds (distance) P-C4' energy: -112.925
flat angles C4'-P-C4' energy: -136.625
flat angles P-C4'-P energy: -86.211
tors. eta vs tors. theta energy: -177.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -2002.739465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.739465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.739465 (E_RNA)
where:
Base-Base interactions energy: -1393.160
where: short stacking energy: -566.726
Base-Backbone interact. energy: -1.014
local terms energy: -608.565421
where:
bonds (distance) C4'-P energy: -116.402
bonds (distance) P-C4' energy: -112.613
flat angles C4'-P-C4' energy: -124.374
flat angles P-C4'-P energy: -81.517
tors. eta vs tors. theta energy: -173.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1934.564412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.564412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.564412 (E_RNA)
where:
Base-Base interactions energy: -1362.059
where: short stacking energy: -547.934
Base-Backbone interact. energy: -0.535
local terms energy: -571.970480
where:
bonds (distance) C4'-P energy: -102.463
bonds (distance) P-C4' energy: -104.678
flat angles C4'-P-C4' energy: -128.028
flat angles P-C4'-P energy: -68.417
tors. eta vs tors. theta energy: -168.384
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: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1740.703022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.703022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.703022 (E_RNA)
where:
Base-Base interactions energy: -1196.736
where: short stacking energy: -482.563
Base-Backbone interact. energy: -2.901
local terms energy: -541.066391
where:
bonds (distance) C4'-P energy: -96.561
bonds (distance) P-C4' energy: -123.737
flat angles C4'-P-C4' energy: -118.327
flat angles P-C4'-P energy: -71.578
tors. eta vs tors. theta energy: -130.864
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: 5, replica: 8
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1737.747606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.747606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.747606 (E_RNA)
where:
Base-Base interactions energy: -1175.755
where: short stacking energy: -509.018
Base-Backbone interact. energy: -3.087
local terms energy: -558.905018
where:
bonds (distance) C4'-P energy: -99.168
bonds (distance) P-C4' energy: -93.551
flat angles C4'-P-C4' energy: -123.881
flat angles P-C4'-P energy: -82.528
tors. eta vs tors. theta energy: -159.776
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: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1559.234161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1559.234161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1559.234161 (E_RNA)
where:
Base-Base interactions energy: -1031.210
where: short stacking energy: -443.851
Base-Backbone interact. energy: -1.745
local terms energy: -526.279007
where:
bonds (distance) C4'-P energy: -101.476
bonds (distance) P-C4' energy: -105.743
flat angles C4'-P-C4' energy: -107.274
flat angles P-C4'-P energy: -75.172
tors. eta vs tors. theta energy: -136.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1316.658598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.658598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.658598 (E_RNA)
where:
Base-Base interactions energy: -858.778
where: short stacking energy: -397.973
Base-Backbone interact. energy: -1.519
local terms energy: -456.361397
where:
bonds (distance) C4'-P energy: -100.192
bonds (distance) P-C4' energy: -97.638
flat angles C4'-P-C4' energy: -98.706
flat angles P-C4'-P energy: -67.000
tors. eta vs tors. theta energy: -92.825
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: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1037.181947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.181947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.181947 (E_RNA)
where:
Base-Base interactions energy: -687.621
where: short stacking energy: -310.220
Base-Backbone interact. energy: 0.777
local terms energy: -350.338022
where:
bonds (distance) C4'-P energy: -94.122
bonds (distance) P-C4' energy: -84.977
flat angles C4'-P-C4' energy: -101.789
flat angles P-C4'-P energy: -33.198
tors. eta vs tors. theta energy: -36.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -850.174814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.174814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.174814 (E_RNA)
where:
Base-Base interactions energy: -500.030
where: short stacking energy: -242.853
Base-Backbone interact. energy: 10.797
local terms energy: -360.941303
where:
bonds (distance) C4'-P energy: -99.099
bonds (distance) P-C4' energy: -102.020
flat angles C4'-P-C4' energy: -89.724
flat angles P-C4'-P energy: -47.059
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -592.721583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.721583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.721583 (E_RNA)
where:
Base-Base interactions energy: -285.837
where: short stacking energy: -151.526
Base-Backbone interact. energy: 7.953
local terms energy: -314.838054
where:
bonds (distance) C4'-P energy: -83.013
bonds (distance) P-C4' energy: -112.274
flat angles C4'-P-C4' energy: -93.979
flat angles P-C4'-P energy: -42.943
tors. eta vs tors. theta energy: 17.371
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: 418
Temperature: 0.900000
Total energy: -2113.001915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.001915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.001915 (E_RNA)
where:
Base-Base interactions energy: -1466.278
where: short stacking energy: -612.725
Base-Backbone interact. energy: -2.126
local terms energy: -644.597673
where:
bonds (distance) C4'-P energy: -119.354
bonds (distance) P-C4' energy: -117.839
flat angles C4'-P-C4' energy: -132.814
flat angles P-C4'-P energy: -99.041
tors. eta vs tors. theta energy: -175.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -2000.592232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.592232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.592232 (E_RNA)
where:
Base-Base interactions energy: -1398.380
where: short stacking energy: -579.234
Base-Backbone interact. energy: -1.524
local terms energy: -600.688182
where:
bonds (distance) C4'-P energy: -104.473
bonds (distance) P-C4' energy: -120.690
flat angles C4'-P-C4' energy: -128.530
flat angles P-C4'-P energy: -82.819
tors. eta vs tors. theta energy: -164.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1949.550922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.550922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.550922 (E_RNA)
where:
Base-Base interactions energy: -1373.937
where: short stacking energy: -555.301
Base-Backbone interact. energy: -2.168
local terms energy: -573.445563
where:
bonds (distance) C4'-P energy: -101.868
bonds (distance) P-C4' energy: -106.143
flat angles C4'-P-C4' energy: -120.414
flat angles P-C4'-P energy: -67.869
tors. eta vs tors. theta energy: -177.151
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: 1
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1767.646696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.646696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.646696 (E_RNA)
where:
Base-Base interactions energy: -1199.600
where: short stacking energy: -500.552
Base-Backbone interact. energy: -2.789
local terms energy: -565.256920
where:
bonds (distance) C4'-P energy: -102.747
bonds (distance) P-C4' energy: -115.784
flat angles C4'-P-C4' energy: -126.464
flat angles P-C4'-P energy: -78.525
tors. eta vs tors. theta energy: -141.736
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: 8
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1732.183187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.183187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.183187 (E_RNA)
where:
Base-Base interactions energy: -1159.883
where: short stacking energy: -488.461
Base-Backbone interact. energy: -2.929
local terms energy: -569.370923
where:
bonds (distance) C4'-P energy: -110.439
bonds (distance) P-C4' energy: -119.478
flat angles C4'-P-C4' energy: -119.749
flat angles P-C4'-P energy: -75.770
tors. eta vs tors. theta energy: -143.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1556.878064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.878064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.878064 (E_RNA)
where:
Base-Base interactions energy: -1040.742
where: short stacking energy: -444.694
Base-Backbone interact. energy: 2.489
local terms energy: -518.624813
where:
bonds (distance) C4'-P energy: -91.772
bonds (distance) P-C4' energy: -102.577
flat angles C4'-P-C4' energy: -118.009
flat angles P-C4'-P energy: -82.163
tors. eta vs tors. theta energy: -124.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1278.043213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.043213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.043213 (E_RNA)
where:
Base-Base interactions energy: -821.895
where: short stacking energy: -356.404
Base-Backbone interact. energy: 0.398
local terms energy: -456.545412
where:
bonds (distance) C4'-P energy: -99.154
bonds (distance) P-C4' energy: -95.763
flat angles C4'-P-C4' energy: -106.586
flat angles P-C4'-P energy: -74.364
tors. eta vs tors. theta energy: -80.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1137.376775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.376775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.376775 (E_RNA)
where:
Base-Base interactions energy: -725.967
where: short stacking energy: -331.167
Base-Backbone interact. energy: 1.494
local terms energy: -412.903575
where:
bonds (distance) C4'-P energy: -102.234
bonds (distance) P-C4' energy: -101.672
flat angles C4'-P-C4' energy: -98.299
flat angles P-C4'-P energy: -55.777
tors. eta vs tors. theta energy: -54.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -798.990108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.990108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.990108 (E_RNA)
where:
Base-Base interactions energy: -449.275
where: short stacking energy: -212.981
Base-Backbone interact. energy: -2.831
local terms energy: -346.884906
where:
bonds (distance) C4'-P energy: -102.262
bonds (distance) P-C4' energy: -84.596
flat angles C4'-P-C4' energy: -87.465
flat angles P-C4'-P energy: -51.238
tors. eta vs tors. theta energy: -21.324
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: 2
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -639.827530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.827530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.827530 (E_RNA)
where:
Base-Base interactions energy: -318.329
where: short stacking energy: -176.533
Base-Backbone interact. energy: 5.765
local terms energy: -327.263475
where:
bonds (distance) C4'-P energy: -101.395
bonds (distance) P-C4' energy: -106.918
flat angles C4'-P-C4' energy: -80.586
flat angles P-C4'-P energy: -42.015
tors. eta vs tors. theta energy: 3.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -2108.731793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.731793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.731793 (E_RNA)
where:
Base-Base interactions energy: -1491.475
where: short stacking energy: -625.600
Base-Backbone interact. energy: 1.474
local terms energy: -618.730541
where:
bonds (distance) C4'-P energy: -114.277
bonds (distance) P-C4' energy: -114.827
flat angles C4'-P-C4' energy: -129.583
flat angles P-C4'-P energy: -84.442
tors. eta vs tors. theta energy: -175.602
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: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -2037.523452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.523452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.523452 (E_RNA)
where:
Base-Base interactions energy: -1417.490
where: short stacking energy: -589.686
Base-Backbone interact. energy: -0.897
local terms energy: -619.136471
where:
bonds (distance) C4'-P energy: -108.069
bonds (distance) P-C4' energy: -123.906
flat angles C4'-P-C4' energy: -128.086
flat angles P-C4'-P energy: -86.303
tors. eta vs tors. theta energy: -172.773
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: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1942.413770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.413770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.413770 (E_RNA)
where:
Base-Base interactions energy: -1342.456
where: short stacking energy: -582.595
Base-Backbone interact. energy: -2.811
local terms energy: -597.146763
where:
bonds (distance) C4'-P energy: -108.080
bonds (distance) P-C4' energy: -118.090
flat angles C4'-P-C4' energy: -119.582
flat angles P-C4'-P energy: -70.393
tors. eta vs tors. theta energy: -181.001
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: 1
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1769.721079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.721079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.721079 (E_RNA)
where:
Base-Base interactions energy: -1212.513
where: short stacking energy: -517.188
Base-Backbone interact. energy: -1.854
local terms energy: -555.354329
where:
bonds (distance) C4'-P energy: -112.021
bonds (distance) P-C4' energy: -95.579
flat angles C4'-P-C4' energy: -121.451
flat angles P-C4'-P energy: -89.180
tors. eta vs tors. theta energy: -137.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1754.141757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.141757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.141757 (E_RNA)
where:
Base-Base interactions energy: -1215.951
where: short stacking energy: -504.569
Base-Backbone interact. energy: 1.016
local terms energy: -539.206999
where:
bonds (distance) C4'-P energy: -90.568
bonds (distance) P-C4' energy: -116.477
flat angles C4'-P-C4' energy: -122.828
flat angles P-C4'-P energy: -69.833
tors. eta vs tors. theta energy: -139.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1580.659264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.659264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.659264 (E_RNA)
where:
Base-Base interactions energy: -1066.943
where: short stacking energy: -462.138
Base-Backbone interact. energy: -2.500
local terms energy: -511.216146
where:
bonds (distance) C4'-P energy: -97.862
bonds (distance) P-C4' energy: -94.790
flat angles C4'-P-C4' energy: -118.156
flat angles P-C4'-P energy: -74.676
tors. eta vs tors. theta energy: -125.732
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: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1373.451610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.451610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.451610 (E_RNA)
where:
Base-Base interactions energy: -909.422
where: short stacking energy: -410.579
Base-Backbone interact. energy: 0.467
local terms energy: -464.496483
where:
bonds (distance) C4'-P energy: -88.813
bonds (distance) P-C4' energy: -95.876
flat angles C4'-P-C4' energy: -116.335
flat angles P-C4'-P energy: -56.977
tors. eta vs tors. theta energy: -106.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -1146.212785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.212785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.212785 (E_RNA)
where:
Base-Base interactions energy: -753.708
where: short stacking energy: -333.097
Base-Backbone interact. energy: 0.609
local terms energy: -393.112910
where:
bonds (distance) C4'-P energy: -79.032
bonds (distance) P-C4' energy: -95.096
flat angles C4'-P-C4' energy: -90.784
flat angles P-C4'-P energy: -56.326
tors. eta vs tors. theta energy: -71.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -783.985216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.985216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.985216 (E_RNA)
where:
Base-Base interactions energy: -417.977
where: short stacking energy: -218.008
Base-Backbone interact. energy: 0.958
local terms energy: -366.965290
where:
bonds (distance) C4'-P energy: -91.533
bonds (distance) P-C4' energy: -105.525
flat angles C4'-P-C4' energy: -92.391
flat angles P-C4'-P energy: -44.118
tors. eta vs tors. theta energy: -33.398
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: 2
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -645.391854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.391854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.391854 (E_RNA)
where:
Base-Base interactions energy: -316.890
where: short stacking energy: -156.227
Base-Backbone interact. energy: -1.278
local terms energy: -327.223747
where:
bonds (distance) C4'-P energy: -86.802
bonds (distance) P-C4' energy: -99.362
flat angles C4'-P-C4' energy: -84.360
flat angles P-C4'-P energy: -76.831
tors. eta vs tors. theta energy: 20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -2103.570336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.570336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.570336 (E_RNA)
where:
Base-Base interactions energy: -1489.256
where: short stacking energy: -601.539
Base-Backbone interact. energy: -2.302
local terms energy: -612.012888
where:
bonds (distance) C4'-P energy: -109.600
bonds (distance) P-C4' energy: -111.147
flat angles C4'-P-C4' energy: -135.285
flat angles P-C4'-P energy: -83.128
tors. eta vs tors. theta energy: -172.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -2034.257377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.257377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.257377 (E_RNA)
where:
Base-Base interactions energy: -1411.963
where: short stacking energy: -598.987
Base-Backbone interact. energy: -3.206
local terms energy: -619.087853
where:
bonds (distance) C4'-P energy: -107.951
bonds (distance) P-C4' energy: -109.150
flat angles C4'-P-C4' energy: -142.697
flat angles P-C4'-P energy: -86.756
tors. eta vs tors. theta energy: -172.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1925.396986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.396986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.396986 (E_RNA)
where:
Base-Base interactions energy: -1321.916
where: short stacking energy: -559.318
Base-Backbone interact. energy: 1.666
local terms energy: -605.146847
where:
bonds (distance) C4'-P energy: -111.592
bonds (distance) P-C4' energy: -96.444
flat angles C4'-P-C4' energy: -131.619
flat angles P-C4'-P energy: -89.456
tors. eta vs tors. theta energy: -176.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1759.536901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.536901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.536901 (E_RNA)
where:
Base-Base interactions energy: -1205.510
where: short stacking energy: -499.813
Base-Backbone interact. energy: 1.191
local terms energy: -555.217821
where:
bonds (distance) C4'-P energy: -101.824
bonds (distance) P-C4' energy: -106.527
flat angles C4'-P-C4' energy: -115.979
flat angles P-C4'-P energy: -84.570
tors. eta vs tors. theta energy: -146.318
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: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1756.366392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.366392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.366392 (E_RNA)
where:
Base-Base interactions energy: -1212.661
where: short stacking energy: -491.705
Base-Backbone interact. energy: 2.824
local terms energy: -546.529580
where:
bonds (distance) C4'-P energy: -97.821
bonds (distance) P-C4' energy: -122.801
flat angles C4'-P-C4' energy: -121.097
flat angles P-C4'-P energy: -72.229
tors. eta vs tors. theta energy: -132.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1581.847145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.847145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.847145 (E_RNA)
where:
Base-Base interactions energy: -1057.241
where: short stacking energy: -449.153
Base-Backbone interact. energy: -3.849
local terms energy: -520.757183
where:
bonds (distance) C4'-P energy: -93.644
bonds (distance) P-C4' energy: -104.257
flat angles C4'-P-C4' energy: -115.319
flat angles P-C4'-P energy: -82.729
tors. eta vs tors. theta energy: -124.809
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: 7, replica: 3
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1444.526701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.526701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.526701 (E_RNA)
where:
Base-Base interactions energy: -977.672
where: short stacking energy: -407.308
Base-Backbone interact. energy: 0.859
local terms energy: -467.713928
where:
bonds (distance) C4'-P energy: -92.845
bonds (distance) P-C4' energy: -107.438
flat angles C4'-P-C4' energy: -92.038
flat angles P-C4'-P energy: -67.848
tors. eta vs tors. theta energy: -107.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1144.445078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.445078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.445078 (E_RNA)
where:
Base-Base interactions energy: -704.727
where: short stacking energy: -337.696
Base-Backbone interact. energy: -0.543
local terms energy: -439.174437
where:
bonds (distance) C4'-P energy: -98.815
bonds (distance) P-C4' energy: -103.938
flat angles C4'-P-C4' energy: -101.882
flat angles P-C4'-P energy: -68.708
tors. eta vs tors. theta energy: -65.831
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: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -731.373461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.373461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.373461 (E_RNA)
where:
Base-Base interactions energy: -383.583
where: short stacking energy: -213.544
Base-Backbone interact. energy: -0.739
local terms energy: -347.050955
where:
bonds (distance) C4'-P energy: -84.310
bonds (distance) P-C4' energy: -99.231
flat angles C4'-P-C4' energy: -103.398
flat angles P-C4'-P energy: -46.385
tors. eta vs tors. theta energy: -13.726
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: 10, replica: 2
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -649.608240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.608240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.608240 (E_RNA)
where:
Base-Base interactions energy: -341.432
where: short stacking energy: -184.332
Base-Backbone interact. energy: 3.302
local terms energy: -311.478575
where:
bonds (distance) C4'-P energy: -70.107
bonds (distance) P-C4' energy: -105.154
flat angles C4'-P-C4' energy: -84.796
flat angles P-C4'-P energy: -43.692
tors. eta vs tors. theta energy: -7.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -2119.438259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.438259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.438259 (E_RNA)
where:
Base-Base interactions energy: -1500.596
where: short stacking energy: -610.738
Base-Backbone interact. energy: -1.797
local terms energy: -617.045733
where:
bonds (distance) C4'-P energy: -106.073
bonds (distance) P-C4' energy: -106.995
flat angles C4'-P-C4' energy: -131.456
flat angles P-C4'-P energy: -98.776
tors. eta vs tors. theta energy: -173.745
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: 421
Temperature: 0.950000
Total energy: -2034.661290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.661290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.661290 (E_RNA)
where:
Base-Base interactions energy: -1436.045
where: short stacking energy: -593.173
Base-Backbone interact. energy: -3.700
local terms energy: -594.916418
where:
bonds (distance) C4'-P energy: -108.146
bonds (distance) P-C4' energy: -108.879
flat angles C4'-P-C4' energy: -128.104
flat angles P-C4'-P energy: -87.826
tors. eta vs tors. theta energy: -161.961
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: 3, replica: 6
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1971.293586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.293586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.293586 (E_RNA)
where:
Base-Base interactions energy: -1364.041
where: short stacking energy: -578.901
Base-Backbone interact. energy: -2.176
local terms energy: -605.076663
where:
bonds (distance) C4'-P energy: -105.692
bonds (distance) P-C4' energy: -115.376
flat angles C4'-P-C4' energy: -133.264
flat angles P-C4'-P energy: -68.529
tors. eta vs tors. theta energy: -182.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1793.701269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.701269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.701269 (E_RNA)
where:
Base-Base interactions energy: -1231.959
where: short stacking energy: -528.502
Base-Backbone interact. energy: -0.331
local terms energy: -561.411026
where:
bonds (distance) C4'-P energy: -97.634
bonds (distance) P-C4' energy: -115.804
flat angles C4'-P-C4' energy: -115.446
flat angles P-C4'-P energy: -80.193
tors. eta vs tors. theta energy: -152.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1663.849683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.849683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.849683 (E_RNA)
where:
Base-Base interactions energy: -1128.522
where: short stacking energy: -473.860
Base-Backbone interact. energy: 0.119
local terms energy: -535.446956
where:
bonds (distance) C4'-P energy: -91.440
bonds (distance) P-C4' energy: -113.646
flat angles C4'-P-C4' energy: -120.796
flat angles P-C4'-P energy: -80.924
tors. eta vs tors. theta energy: -128.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1627.332654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.332654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.332654 (E_RNA)
where:
Base-Base interactions energy: -1093.105
where: short stacking energy: -463.432
Base-Backbone interact. energy: 1.390
local terms energy: -535.618362
where:
bonds (distance) C4'-P energy: -97.629
bonds (distance) P-C4' energy: -107.475
flat angles C4'-P-C4' energy: -121.760
flat angles P-C4'-P energy: -75.331
tors. eta vs tors. theta energy: -133.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1447.896893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.896893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.896893 (E_RNA)
where:
Base-Base interactions energy: -991.340
where: short stacking energy: -431.527
Base-Backbone interact. energy: 4.551
local terms energy: -461.107935
where:
bonds (distance) C4'-P energy: -87.748
bonds (distance) P-C4' energy: -112.570
flat angles C4'-P-C4' energy: -95.423
flat angles P-C4'-P energy: -56.092
tors. eta vs tors. theta energy: -109.274
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: 8, replica: 10
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1153.188227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.188227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.188227 (E_RNA)
where:
Base-Base interactions energy: -748.392
where: short stacking energy: -333.881
Base-Backbone interact. energy: 2.866
local terms energy: -407.661702
where:
bonds (distance) C4'-P energy: -81.326
bonds (distance) P-C4' energy: -101.304
flat angles C4'-P-C4' energy: -113.345
flat angles P-C4'-P energy: -57.970
tors. eta vs tors. theta energy: -53.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -763.609932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.609932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.609932 (E_RNA)
where:
Base-Base interactions energy: -421.311
where: short stacking energy: -225.968
Base-Backbone interact. energy: 2.646
local terms energy: -344.945801
where:
bonds (distance) C4'-P energy: -83.393
bonds (distance) P-C4' energy: -83.298
flat angles C4'-P-C4' energy: -94.845
flat angles P-C4'-P energy: -67.853
tors. eta vs tors. theta energy: -15.557
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: 10, replica: 2
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -624.822219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.822219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.822219 (E_RNA)
where:
Base-Base interactions energy: -364.620
where: short stacking energy: -179.194
Base-Backbone interact. energy: 1.928
local terms energy: -262.130045
where:
bonds (distance) C4'-P energy: -68.153
bonds (distance) P-C4' energy: -91.920
flat angles C4'-P-C4' energy: -67.767
flat angles P-C4'-P energy: -34.819
tors. eta vs tors. theta energy: 0.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -2102.594077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.594077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.594077 (E_RNA)
where:
Base-Base interactions energy: -1487.251
where: short stacking energy: -593.194
Base-Backbone interact. energy: 1.039
local terms energy: -616.381982
where:
bonds (distance) C4'-P energy: -117.371
bonds (distance) P-C4' energy: -106.556
flat angles C4'-P-C4' energy: -139.318
flat angles P-C4'-P energy: -79.061
tors. eta vs tors. theta energy: -174.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -2065.122037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.122037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.122037 (E_RNA)
where:
Base-Base interactions energy: -1445.085
where: short stacking energy: -603.697
Base-Backbone interact. energy: -2.825
local terms energy: -617.211830
where:
bonds (distance) C4'-P energy: -101.392
bonds (distance) P-C4' energy: -119.498
flat angles C4'-P-C4' energy: -135.284
flat angles P-C4'-P energy: -90.717
tors. eta vs tors. theta energy: -170.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1963.308256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.308256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.308256 (E_RNA)
where:
Base-Base interactions energy: -1360.577
where: short stacking energy: -568.242
Base-Backbone interact. energy: 1.536
local terms energy: -604.267365
where:
bonds (distance) C4'-P energy: -98.960
bonds (distance) P-C4' energy: -106.631
flat angles C4'-P-C4' energy: -143.094
flat angles P-C4'-P energy: -79.294
tors. eta vs tors. theta energy: -176.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1763.438124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.438124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.438124 (E_RNA)
where:
Base-Base interactions energy: -1209.914
where: short stacking energy: -511.607
Base-Backbone interact. energy: -1.953
local terms energy: -551.570471
where:
bonds (distance) C4'-P energy: -107.514
bonds (distance) P-C4' energy: -102.921
flat angles C4'-P-C4' energy: -113.311
flat angles P-C4'-P energy: -87.741
tors. eta vs tors. theta energy: -140.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1718.298396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.298396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.298396 (E_RNA)
where:
Base-Base interactions energy: -1158.217
where: short stacking energy: -504.256
Base-Backbone interact. energy: 3.421
local terms energy: -563.503042
where:
bonds (distance) C4'-P energy: -108.159
bonds (distance) P-C4' energy: -111.288
flat angles C4'-P-C4' energy: -114.493
flat angles P-C4'-P energy: -93.427
tors. eta vs tors. theta energy: -136.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1595.142221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.142221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.142221 (E_RNA)
where:
Base-Base interactions energy: -1046.293
where: short stacking energy: -472.826
Base-Backbone interact. energy: 0.180
local terms energy: -549.028773
where:
bonds (distance) C4'-P energy: -101.097
bonds (distance) P-C4' energy: -115.119
flat angles C4'-P-C4' energy: -108.682
flat angles P-C4'-P energy: -85.082
tors. eta vs tors. theta energy: -139.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1415.090124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.090124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.090124 (E_RNA)
where:
Base-Base interactions energy: -956.726
where: short stacking energy: -397.250
Base-Backbone interact. energy: -2.884
local terms energy: -455.479490
where:
bonds (distance) C4'-P energy: -87.411
bonds (distance) P-C4' energy: -110.457
flat angles C4'-P-C4' energy: -97.276
flat angles P-C4'-P energy: -64.904
tors. eta vs tors. theta energy: -95.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1195.689861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.689861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.689861 (E_RNA)
where:
Base-Base interactions energy: -808.652
where: short stacking energy: -337.084
Base-Backbone interact. energy: -0.976
local terms energy: -386.061957
where:
bonds (distance) C4'-P energy: -84.346
bonds (distance) P-C4' energy: -104.298
flat angles C4'-P-C4' energy: -81.796
flat angles P-C4'-P energy: -58.278
tors. eta vs tors. theta energy: -57.344
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: 4
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -794.160858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.160858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.160858 (E_RNA)
where:
Base-Base interactions energy: -401.891
where: short stacking energy: -211.162
Base-Backbone interact. energy: 1.919
local terms energy: -394.188106
where:
bonds (distance) C4'-P energy: -114.608
bonds (distance) P-C4' energy: -103.280
flat angles C4'-P-C4' energy: -107.049
flat angles P-C4'-P energy: -46.909
tors. eta vs tors. theta energy: -22.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -633.050734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.050734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.050734 (E_RNA)
where:
Base-Base interactions energy: -316.515
where: short stacking energy: -182.125
Base-Backbone interact. energy: -3.188
local terms energy: -313.347243
where:
bonds (distance) C4'-P energy: -84.960
bonds (distance) P-C4' energy: -95.344
flat angles C4'-P-C4' energy: -77.221
flat angles P-C4'-P energy: -50.083
tors. eta vs tors. theta energy: -5.739
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: 1, replica: 9
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -2106.863377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.863377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.863377 (E_RNA)
where:
Base-Base interactions energy: -1457.380
where: short stacking energy: -612.515
Base-Backbone interact. energy: -1.093
local terms energy: -648.390809
where:
bonds (distance) C4'-P energy: -110.733
bonds (distance) P-C4' energy: -130.329
flat angles C4'-P-C4' energy: -139.915
flat angles P-C4'-P energy: -93.634
tors. eta vs tors. theta energy: -173.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -2050.012398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.012398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.012398 (E_RNA)
where:
Base-Base interactions energy: -1433.579
where: short stacking energy: -597.530
Base-Backbone interact. energy: -2.053
local terms energy: -614.380835
where:
bonds (distance) C4'-P energy: -101.342
bonds (distance) P-C4' energy: -118.267
flat angles C4'-P-C4' energy: -139.327
flat angles P-C4'-P energy: -87.806
tors. eta vs tors. theta energy: -167.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1963.947286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.947286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.947286 (E_RNA)
where:
Base-Base interactions energy: -1351.846
where: short stacking energy: -576.820
Base-Backbone interact. energy: -2.353
local terms energy: -609.748018
where:
bonds (distance) C4'-P energy: -115.335
bonds (distance) P-C4' energy: -108.059
flat angles C4'-P-C4' energy: -127.490
flat angles P-C4'-P energy: -89.408
tors. eta vs tors. theta energy: -169.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1812.496791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.496791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.496791 (E_RNA)
where:
Base-Base interactions energy: -1211.883
where: short stacking energy: -529.776
Base-Backbone interact. energy: -0.443
local terms energy: -600.170355
where:
bonds (distance) C4'-P energy: -124.195
bonds (distance) P-C4' energy: -120.550
flat angles C4'-P-C4' energy: -121.515
flat angles P-C4'-P energy: -81.461
tors. eta vs tors. theta energy: -152.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1698.007281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.007281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.007281 (E_RNA)
where:
Base-Base interactions energy: -1156.510
where: short stacking energy: -482.230
Base-Backbone interact. energy: -2.975
local terms energy: -538.522409
where:
bonds (distance) C4'-P energy: -105.799
bonds (distance) P-C4' energy: -101.104
flat angles C4'-P-C4' energy: -111.383
flat angles P-C4'-P energy: -78.027
tors. eta vs tors. theta energy: -142.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1621.225907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.225907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.225907 (E_RNA)
where:
Base-Base interactions energy: -1094.424
where: short stacking energy: -474.642
Base-Backbone interact. energy: 2.085
local terms energy: -528.887441
where:
bonds (distance) C4'-P energy: -99.412
bonds (distance) P-C4' energy: -94.376
flat angles C4'-P-C4' energy: -112.667
flat angles P-C4'-P energy: -78.884
tors. eta vs tors. theta energy: -143.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1427.771803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.771803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.771803 (E_RNA)
where:
Base-Base interactions energy: -946.786
where: short stacking energy: -444.100
Base-Backbone interact. energy: -2.332
local terms energy: -478.653761
where:
bonds (distance) C4'-P energy: -88.163
bonds (distance) P-C4' energy: -91.579
flat angles C4'-P-C4' energy: -109.866
flat angles P-C4'-P energy: -67.058
tors. eta vs tors. theta energy: -121.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1244.070054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.070054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.070054 (E_RNA)
where:
Base-Base interactions energy: -811.036
where: short stacking energy: -332.469
Base-Backbone interact. energy: 0.265
local terms energy: -433.299628
where:
bonds (distance) C4'-P energy: -101.298
bonds (distance) P-C4' energy: -108.348
flat angles C4'-P-C4' energy: -94.664
flat angles P-C4'-P energy: -63.951
tors. eta vs tors. theta energy: -65.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -874.626571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.626571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.626571 (E_RNA)
where:
Base-Base interactions energy: -517.045
where: short stacking energy: -258.517
Base-Backbone interact. energy: 1.271
local terms energy: -358.852872
where:
bonds (distance) C4'-P energy: -100.872
bonds (distance) P-C4' energy: -78.436
flat angles C4'-P-C4' energy: -96.620
flat angles P-C4'-P energy: -55.651
tors. eta vs tors. theta energy: -27.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -633.570446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.570446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.570446 (E_RNA)
where:
Base-Base interactions energy: -292.948
where: short stacking energy: -167.771
Base-Backbone interact. energy: 1.253
local terms energy: -341.876010
where:
bonds (distance) C4'-P energy: -87.099
bonds (distance) P-C4' energy: -103.013
flat angles C4'-P-C4' energy: -92.783
flat angles P-C4'-P energy: -46.344
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: 424
Temperature: 0.900000
Total energy: -2119.870293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.870293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.870293 (E_RNA)
where:
Base-Base interactions energy: -1489.253
where: short stacking energy: -626.748
Base-Backbone interact. energy: -0.120
local terms energy: -630.497422
where:
bonds (distance) C4'-P energy: -107.046
bonds (distance) P-C4' energy: -120.558
flat angles C4'-P-C4' energy: -132.968
flat angles P-C4'-P energy: -95.961
tors. eta vs tors. theta energy: -173.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -2032.454321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.454321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.454321 (E_RNA)
where:
Base-Base interactions energy: -1429.406
where: short stacking energy: -588.258
Base-Backbone interact. energy: 0.965
local terms energy: -604.012621
where:
bonds (distance) C4'-P energy: -111.991
bonds (distance) P-C4' energy: -105.368
flat angles C4'-P-C4' energy: -136.239
flat angles P-C4'-P energy: -84.364
tors. eta vs tors. theta energy: -166.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1944.315124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.315124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.315124 (E_RNA)
where:
Base-Base interactions energy: -1366.139
where: short stacking energy: -569.750
Base-Backbone interact. energy: -1.945
local terms energy: -576.231159
where:
bonds (distance) C4'-P energy: -87.202
bonds (distance) P-C4' energy: -116.077
flat angles C4'-P-C4' energy: -131.132
flat angles P-C4'-P energy: -71.577
tors. eta vs tors. theta energy: -170.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -1755.289096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.289096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.289096 (E_RNA)
where:
Base-Base interactions energy: -1194.550
where: short stacking energy: -523.424
Base-Backbone interact. energy: -0.186
local terms energy: -560.552860
where:
bonds (distance) C4'-P energy: -117.480
bonds (distance) P-C4' energy: -111.628
flat angles C4'-P-C4' energy: -117.941
flat angles P-C4'-P energy: -58.232
tors. eta vs tors. theta energy: -155.273
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: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1701.949103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.949103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.949103 (E_RNA)
where:
Base-Base interactions energy: -1144.030
where: short stacking energy: -499.896
Base-Backbone interact. energy: -2.847
local terms energy: -555.071453
where:
bonds (distance) C4'-P energy: -104.182
bonds (distance) P-C4' energy: -110.071
flat angles C4'-P-C4' energy: -120.875
flat angles P-C4'-P energy: -67.706
tors. eta vs tors. theta energy: -152.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1642.797385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.797385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.797385 (E_RNA)
where:
Base-Base interactions energy: -1121.793
where: short stacking energy: -472.269
Base-Backbone interact. energy: 3.464
local terms energy: -524.467575
where:
bonds (distance) C4'-P energy: -93.484
bonds (distance) P-C4' energy: -100.678
flat angles C4'-P-C4' energy: -117.761
flat angles P-C4'-P energy: -78.032
tors. eta vs tors. theta energy: -134.512
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: 3
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1387.845549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.845549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.845549 (E_RNA)
where:
Base-Base interactions energy: -922.310
where: short stacking energy: -399.112
Base-Backbone interact. energy: -3.628
local terms energy: -461.908089
where:
bonds (distance) C4'-P energy: -88.675
bonds (distance) P-C4' energy: -93.973
flat angles C4'-P-C4' energy: -102.750
flat angles P-C4'-P energy: -63.301
tors. eta vs tors. theta energy: -113.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1225.209488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.209488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.209488 (E_RNA)
where:
Base-Base interactions energy: -804.863
where: short stacking energy: -337.523
Base-Backbone interact. energy: 0.206
local terms energy: -420.552432
where:
bonds (distance) C4'-P energy: -83.668
bonds (distance) P-C4' energy: -100.578
flat angles C4'-P-C4' energy: -90.089
flat angles P-C4'-P energy: -71.133
tors. eta vs tors. theta energy: -75.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -848.346655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.346655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.346655 (E_RNA)
where:
Base-Base interactions energy: -481.391
where: short stacking energy: -220.273
Base-Backbone interact. energy: 1.028
local terms energy: -367.983372
where:
bonds (distance) C4'-P energy: -103.229
bonds (distance) P-C4' energy: -86.518
flat angles C4'-P-C4' energy: -90.234
flat angles P-C4'-P energy: -62.355
tors. eta vs tors. theta energy: -25.648
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: 2
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -649.525567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.525567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.525567 (E_RNA)
where:
Base-Base interactions energy: -335.909
where: short stacking energy: -165.299
Base-Backbone interact. energy: -2.747
local terms energy: -310.869652
where:
bonds (distance) C4'-P energy: -86.491
bonds (distance) P-C4' energy: -80.454
flat angles C4'-P-C4' energy: -96.717
flat angles P-C4'-P energy: -48.570
tors. eta vs tors. theta energy: 1.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -2127.033951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2127.033951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2127.033951 (E_RNA)
where:
Base-Base interactions energy: -1476.835
where: short stacking energy: -616.281
Base-Backbone interact. energy: -3.056
local terms energy: -647.143847
where:
bonds (distance) C4'-P energy: -106.554
bonds (distance) P-C4' energy: -119.571
flat angles C4'-P-C4' energy: -143.465
flat angles P-C4'-P energy: -98.726
tors. eta vs tors. theta energy: -178.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -2028.282331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.282331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.282331 (E_RNA)
where:
Base-Base interactions energy: -1405.348
where: short stacking energy: -592.707
Base-Backbone interact. energy: -3.584
local terms energy: -619.350351
where:
bonds (distance) C4'-P energy: -125.614
bonds (distance) P-C4' energy: -107.639
flat angles C4'-P-C4' energy: -119.240
flat angles P-C4'-P energy: -90.217
tors. eta vs tors. theta energy: -176.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1920.740424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.740424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.740424 (E_RNA)
where:
Base-Base interactions energy: -1350.424
where: short stacking energy: -542.863
Base-Backbone interact. energy: -0.468
local terms energy: -569.847864
where:
bonds (distance) C4'-P energy: -87.537
bonds (distance) P-C4' energy: -114.277
flat angles C4'-P-C4' energy: -129.357
flat angles P-C4'-P energy: -79.974
tors. eta vs tors. theta energy: -158.703
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: 4, replica: 1
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1783.751009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.751009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.751009 (E_RNA)
where:
Base-Base interactions energy: -1203.306
where: short stacking energy: -515.803
Base-Backbone interact. energy: -2.237
local terms energy: -578.207394
where:
bonds (distance) C4'-P energy: -109.501
bonds (distance) P-C4' energy: -116.867
flat angles C4'-P-C4' energy: -129.257
flat angles P-C4'-P energy: -71.853
tors. eta vs tors. theta energy: -150.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1689.318185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.318185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.318185 (E_RNA)
where:
Base-Base interactions energy: -1148.951
where: short stacking energy: -485.867
Base-Backbone interact. energy: 1.612
local terms energy: -541.980101
where:
bonds (distance) C4'-P energy: -88.928
bonds (distance) P-C4' energy: -113.620
flat angles C4'-P-C4' energy: -129.549
flat angles P-C4'-P energy: -79.558
tors. eta vs tors. theta energy: -130.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1635.864711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.864711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.864711 (E_RNA)
where:
Base-Base interactions energy: -1089.216
where: short stacking energy: -467.919
Base-Backbone interact. energy: -3.046
local terms energy: -543.602096
where:
bonds (distance) C4'-P energy: -95.242
bonds (distance) P-C4' energy: -115.587
flat angles C4'-P-C4' energy: -110.634
flat angles P-C4'-P energy: -81.339
tors. eta vs tors. theta energy: -140.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1280.605083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.605083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.605083 (E_RNA)
where:
Base-Base interactions energy: -833.637
where: short stacking energy: -376.876
Base-Backbone interact. energy: -3.228
local terms energy: -443.739867
where:
bonds (distance) C4'-P energy: -96.551
bonds (distance) P-C4' energy: -91.404
flat angles C4'-P-C4' energy: -116.243
flat angles P-C4'-P energy: -54.078
tors. eta vs tors. theta energy: -85.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1275.808126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.808126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.808126 (E_RNA)
where:
Base-Base interactions energy: -848.879
where: short stacking energy: -371.937
Base-Backbone interact. energy: -0.104
local terms energy: -426.824663
where:
bonds (distance) C4'-P energy: -76.969
bonds (distance) P-C4' energy: -96.337
flat angles C4'-P-C4' energy: -99.118
flat angles P-C4'-P energy: -66.124
tors. eta vs tors. theta energy: -88.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -861.718988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.718988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.718988 (E_RNA)
where:
Base-Base interactions energy: -488.989
where: short stacking energy: -239.120
Base-Backbone interact. energy: 0.321
local terms energy: -373.051017
where:
bonds (distance) C4'-P energy: -97.317
bonds (distance) P-C4' energy: -101.667
flat angles C4'-P-C4' energy: -94.664
flat angles P-C4'-P energy: -59.897
tors. eta vs tors. theta energy: -19.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -649.204328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.204328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.204328 (E_RNA)
where:
Base-Base interactions energy: -330.611
where: short stacking energy: -181.479
Base-Backbone interact. energy: -1.906
local terms energy: -316.687483
where:
bonds (distance) C4'-P energy: -86.656
bonds (distance) P-C4' energy: -99.547
flat angles C4'-P-C4' energy: -75.616
flat angles P-C4'-P energy: -59.197
tors. eta vs tors. theta energy: 4.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -2101.783149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.783149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.783149 (E_RNA)
where:
Base-Base interactions energy: -1470.904
where: short stacking energy: -613.914
Base-Backbone interact. energy: -2.347
local terms energy: -628.531608
where:
bonds (distance) C4'-P energy: -114.530
bonds (distance) P-C4' energy: -108.042
flat angles C4'-P-C4' energy: -137.225
flat angles P-C4'-P energy: -92.291
tors. eta vs tors. theta energy: -176.443
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: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -2044.451614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.451614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.451614 (E_RNA)
where:
Base-Base interactions energy: -1413.891
where: short stacking energy: -588.397
Base-Backbone interact. energy: -3.988
local terms energy: -626.572845
where:
bonds (distance) C4'-P energy: -106.912
bonds (distance) P-C4' energy: -117.046
flat angles C4'-P-C4' energy: -132.894
flat angles P-C4'-P energy: -95.150
tors. eta vs tors. theta energy: -174.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1951.915221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.915221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.915221 (E_RNA)
where:
Base-Base interactions energy: -1343.327
where: short stacking energy: -577.471
Base-Backbone interact. energy: -3.547
local terms energy: -605.040348
where:
bonds (distance) C4'-P energy: -102.778
bonds (distance) P-C4' energy: -105.472
flat angles C4'-P-C4' energy: -136.311
flat angles P-C4'-P energy: -88.141
tors. eta vs tors. theta energy: -172.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1782.527193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.527193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.527193 (E_RNA)
where:
Base-Base interactions energy: -1226.439
where: short stacking energy: -518.746
Base-Backbone interact. energy: -2.001
local terms energy: -554.087048
where:
bonds (distance) C4'-P energy: -103.698
bonds (distance) P-C4' energy: -111.064
flat angles C4'-P-C4' energy: -115.726
flat angles P-C4'-P energy: -79.947
tors. eta vs tors. theta energy: -143.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1705.565712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.565712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.565712 (E_RNA)
where:
Base-Base interactions energy: -1187.319
where: short stacking energy: -506.917
Base-Backbone interact. energy: -3.823
local terms energy: -514.424111
where:
bonds (distance) C4'-P energy: -89.879
bonds (distance) P-C4' energy: -98.218
flat angles C4'-P-C4' energy: -110.802
flat angles P-C4'-P energy: -66.916
tors. eta vs tors. theta energy: -148.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1634.220502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.220502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.220502 (E_RNA)
where:
Base-Base interactions energy: -1109.085
where: short stacking energy: -484.758
Base-Backbone interact. energy: 2.833
local terms energy: -527.968064
where:
bonds (distance) C4'-P energy: -93.371
bonds (distance) P-C4' energy: -102.310
flat angles C4'-P-C4' energy: -121.091
flat angles P-C4'-P energy: -73.980
tors. eta vs tors. theta energy: -137.217
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: 10
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -1289.083376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.083376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.083376 (E_RNA)
where:
Base-Base interactions energy: -828.462
where: short stacking energy: -346.964
Base-Backbone interact. energy: 0.413
local terms energy: -461.034339
where:
bonds (distance) C4'-P energy: -81.360
bonds (distance) P-C4' energy: -112.046
flat angles C4'-P-C4' energy: -118.074
flat angles P-C4'-P energy: -73.975
tors. eta vs tors. theta energy: -75.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1222.541973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.541973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.541973 (E_RNA)
where:
Base-Base interactions energy: -772.852
where: short stacking energy: -353.908
Base-Backbone interact. energy: 3.080
local terms energy: -452.769990
where:
bonds (distance) C4'-P energy: -107.307
bonds (distance) P-C4' energy: -94.301
flat angles C4'-P-C4' energy: -114.058
flat angles P-C4'-P energy: -70.168
tors. eta vs tors. theta energy: -66.935
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: 4
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -825.347617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.347617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.347617 (E_RNA)
where:
Base-Base interactions energy: -459.207
where: short stacking energy: -247.712
Base-Backbone interact. energy: 3.715
local terms energy: -369.855677
where:
bonds (distance) C4'-P energy: -96.533
bonds (distance) P-C4' energy: -105.415
flat angles C4'-P-C4' energy: -86.492
flat angles P-C4'-P energy: -52.067
tors. eta vs tors. theta energy: -29.349
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: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -662.579389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.579389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.579389 (E_RNA)
where:
Base-Base interactions energy: -316.759
where: short stacking energy: -179.622
Base-Backbone interact. energy: -3.118
local terms energy: -342.702198
where:
bonds (distance) C4'-P energy: -78.494
bonds (distance) P-C4' energy: -118.265
flat angles C4'-P-C4' energy: -98.918
flat angles P-C4'-P energy: -52.019
tors. eta vs tors. theta energy: 4.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -2106.862071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.862071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.862071 (E_RNA)
where:
Base-Base interactions energy: -1471.934
where: short stacking energy: -615.524
Base-Backbone interact. energy: 2.195
local terms energy: -637.122461
where:
bonds (distance) C4'-P energy: -122.408
bonds (distance) P-C4' energy: -117.302
flat angles C4'-P-C4' energy: -139.218
flat angles P-C4'-P energy: -90.121
tors. eta vs tors. theta energy: -168.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -2037.607622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2037.607622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2037.607622 (E_RNA)
where:
Base-Base interactions energy: -1423.416
where: short stacking energy: -589.485
Base-Backbone interact. energy: 1.151
local terms energy: -615.342149
where:
bonds (distance) C4'-P energy: -121.206
bonds (distance) P-C4' energy: -114.625
flat angles C4'-P-C4' energy: -133.264
flat angles P-C4'-P energy: -75.579
tors. eta vs tors. theta energy: -170.668
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: 3, replica: 6
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1921.764600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.764600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.764600 (E_RNA)
where:
Base-Base interactions energy: -1335.196
where: short stacking energy: -574.736
Base-Backbone interact. energy: -1.422
local terms energy: -585.146291
where:
bonds (distance) C4'-P energy: -107.263
bonds (distance) P-C4' energy: -109.691
flat angles C4'-P-C4' energy: -119.713
flat angles P-C4'-P energy: -81.889
tors. eta vs tors. theta energy: -166.589
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: 8
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1768.880448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.880448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.880448 (E_RNA)
where:
Base-Base interactions energy: -1181.403
where: short stacking energy: -505.377
Base-Backbone interact. energy: -0.886
local terms energy: -586.591587
where:
bonds (distance) C4'-P energy: -103.680
bonds (distance) P-C4' energy: -117.233
flat angles C4'-P-C4' energy: -125.915
flat angles P-C4'-P energy: -81.237
tors. eta vs tors. theta energy: -158.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1687.318355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.318355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.318355 (E_RNA)
where:
Base-Base interactions energy: -1162.213
where: short stacking energy: -507.692
Base-Backbone interact. energy: 4.741
local terms energy: -529.846487
where:
bonds (distance) C4'-P energy: -101.773
bonds (distance) P-C4' energy: -106.073
flat angles C4'-P-C4' energy: -105.561
flat angles P-C4'-P energy: -79.832
tors. eta vs tors. theta energy: -136.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1634.017304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.017304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.017304 (E_RNA)
where:
Base-Base interactions energy: -1097.935
where: short stacking energy: -467.237
Base-Backbone interact. energy: -0.442
local terms energy: -535.639875
where:
bonds (distance) C4'-P energy: -111.427
bonds (distance) P-C4' energy: -107.824
flat angles C4'-P-C4' energy: -111.077
flat angles P-C4'-P energy: -71.545
tors. eta vs tors. theta energy: -133.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1315.323954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.323954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.323954 (E_RNA)
where:
Base-Base interactions energy: -878.617
where: short stacking energy: -380.154
Base-Backbone interact. energy: -0.616
local terms energy: -436.090600
where:
bonds (distance) C4'-P energy: -88.395
bonds (distance) P-C4' energy: -90.916
flat angles C4'-P-C4' energy: -110.991
flat angles P-C4'-P energy: -55.624
tors. eta vs tors. theta energy: -90.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1237.955865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.955865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.955865 (E_RNA)
where:
Base-Base interactions energy: -799.284
where: short stacking energy: -364.200
Base-Backbone interact. energy: -3.578
local terms energy: -435.093872
where:
bonds (distance) C4'-P energy: -102.346
bonds (distance) P-C4' energy: -88.562
flat angles C4'-P-C4' energy: -104.340
flat angles P-C4'-P energy: -66.675
tors. eta vs tors. theta energy: -73.172
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: 427
Temperature: 1.300000
Total energy: -828.867036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.867036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.867036 (E_RNA)
where:
Base-Base interactions energy: -466.154
where: short stacking energy: -218.122
Base-Backbone interact. energy: 3.678
local terms energy: -366.390652
where:
bonds (distance) C4'-P energy: -97.378
bonds (distance) P-C4' energy: -100.457
flat angles C4'-P-C4' energy: -102.408
flat angles P-C4'-P energy: -55.709
tors. eta vs tors. theta energy: -10.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -668.349548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.349548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.349548 (E_RNA)
where:
Base-Base interactions energy: -360.461
where: short stacking energy: -207.194
Base-Backbone interact. energy: -1.292
local terms energy: -306.596435
where:
bonds (distance) C4'-P energy: -88.128
bonds (distance) P-C4' energy: -94.374
flat angles C4'-P-C4' energy: -89.548
flat angles P-C4'-P energy: -26.630
tors. eta vs tors. theta energy: -7.916
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: 428
Temperature: 0.900000
Total energy: -2094.920344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2094.920344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2094.920344 (E_RNA)
where:
Base-Base interactions energy: -1460.007
where: short stacking energy: -610.324
Base-Backbone interact. energy: -1.782
local terms energy: -633.131852
where:
bonds (distance) C4'-P energy: -118.754
bonds (distance) P-C4' energy: -120.135
flat angles C4'-P-C4' energy: -132.155
flat angles P-C4'-P energy: -90.344
tors. eta vs tors. theta energy: -171.745
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: 428
Temperature: 0.950000
Total energy: -1985.864489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.864489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.864489 (E_RNA)
where:
Base-Base interactions energy: -1363.996
where: short stacking energy: -549.179
Base-Backbone interact. energy: -2.463
local terms energy: -619.406334
where:
bonds (distance) C4'-P energy: -115.255
bonds (distance) P-C4' energy: -121.520
flat angles C4'-P-C4' energy: -128.131
flat angles P-C4'-P energy: -90.731
tors. eta vs tors. theta energy: -163.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1894.028094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.028094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.028094 (E_RNA)
where:
Base-Base interactions energy: -1323.703
where: short stacking energy: -524.926
Base-Backbone interact. energy: 0.795
local terms energy: -571.120062
where:
bonds (distance) C4'-P energy: -109.293
bonds (distance) P-C4' energy: -102.897
flat angles C4'-P-C4' energy: -121.431
flat angles P-C4'-P energy: -76.978
tors. eta vs tors. theta energy: -160.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1781.261567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.261567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.261567 (E_RNA)
where:
Base-Base interactions energy: -1231.271
where: short stacking energy: -527.761
Base-Backbone interact. energy: 3.224
local terms energy: -553.214455
where:
bonds (distance) C4'-P energy: -106.535
bonds (distance) P-C4' energy: -108.184
flat angles C4'-P-C4' energy: -116.809
flat angles P-C4'-P energy: -66.815
tors. eta vs tors. theta energy: -154.871
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: 1
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1728.225307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.225307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.225307 (E_RNA)
where:
Base-Base interactions energy: -1182.518
where: short stacking energy: -488.481
Base-Backbone interact. energy: -4.079
local terms energy: -541.628295
where:
bonds (distance) C4'-P energy: -120.283
bonds (distance) P-C4' energy: -90.409
flat angles C4'-P-C4' energy: -112.791
flat angles P-C4'-P energy: -80.592
tors. eta vs tors. theta energy: -137.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1599.419804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.419804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.419804 (E_RNA)
where:
Base-Base interactions energy: -1072.076
where: short stacking energy: -478.008
Base-Backbone interact. energy: -1.012
local terms energy: -526.331557
where:
bonds (distance) C4'-P energy: -101.612
bonds (distance) P-C4' energy: -84.298
flat angles C4'-P-C4' energy: -119.725
flat angles P-C4'-P energy: -84.339
tors. eta vs tors. theta energy: -136.358
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: 3
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1263.563553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.563553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.563553 (E_RNA)
where:
Base-Base interactions energy: -802.554
where: short stacking energy: -357.144
Base-Backbone interact. energy: -1.578
local terms energy: -459.431571
where:
bonds (distance) C4'-P energy: -92.738
bonds (distance) P-C4' energy: -110.096
flat angles C4'-P-C4' energy: -97.397
flat angles P-C4'-P energy: -78.186
tors. eta vs tors. theta energy: -81.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1253.936068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.936068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.936068 (E_RNA)
where:
Base-Base interactions energy: -795.873
where: short stacking energy: -345.815
Base-Backbone interact. energy: 0.798
local terms energy: -458.860833
where:
bonds (distance) C4'-P energy: -98.998
bonds (distance) P-C4' energy: -84.372
flat angles C4'-P-C4' energy: -113.654
flat angles P-C4'-P energy: -82.065
tors. eta vs tors. theta energy: -79.772
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: 4
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -853.715186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.715186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.715186 (E_RNA)
where:
Base-Base interactions energy: -485.492
where: short stacking energy: -254.576
Base-Backbone interact. energy: -3.225
local terms energy: -364.998588
where:
bonds (distance) C4'-P energy: -93.370
bonds (distance) P-C4' energy: -92.506
flat angles C4'-P-C4' energy: -92.160
flat angles P-C4'-P energy: -56.685
tors. eta vs tors. theta energy: -30.277
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: 10, replica: 2
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -648.804590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.804590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.804590 (E_RNA)
where:
Base-Base interactions energy: -331.121
where: short stacking energy: -176.950
Base-Backbone interact. energy: 2.793
local terms energy: -320.476070
where:
bonds (distance) C4'-P energy: -91.322
bonds (distance) P-C4' energy: -106.982
flat angles C4'-P-C4' energy: -77.239
flat angles P-C4'-P energy: -49.147
tors. eta vs tors. theta energy: 4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -2110.251149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2110.251149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2110.251149 (E_RNA)
where:
Base-Base interactions energy: -1486.359
where: short stacking energy: -630.594
Base-Backbone interact. energy: -1.916
local terms energy: -621.975320
where:
bonds (distance) C4'-P energy: -117.446
bonds (distance) P-C4' energy: -104.217
flat angles C4'-P-C4' energy: -127.133
flat angles P-C4'-P energy: -96.901
tors. eta vs tors. theta energy: -176.278
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: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -2008.269207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.269207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.269207 (E_RNA)
where:
Base-Base interactions energy: -1407.685
where: short stacking energy: -577.095
Base-Backbone interact. energy: -3.105
local terms energy: -597.478619
where:
bonds (distance) C4'-P energy: -112.582
bonds (distance) P-C4' energy: -111.710
flat angles C4'-P-C4' energy: -128.796
flat angles P-C4'-P energy: -85.800
tors. eta vs tors. theta energy: -158.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1926.764767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.764767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.764767 (E_RNA)
where:
Base-Base interactions energy: -1319.314
where: short stacking energy: -554.683
Base-Backbone interact. energy: -1.635
local terms energy: -605.815731
where:
bonds (distance) C4'-P energy: -102.022
bonds (distance) P-C4' energy: -114.816
flat angles C4'-P-C4' energy: -124.190
flat angles P-C4'-P energy: -90.824
tors. eta vs tors. theta energy: -173.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1806.329862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.329862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.329862 (E_RNA)
where:
Base-Base interactions energy: -1214.561
where: short stacking energy: -513.625
Base-Backbone interact. energy: -2.023
local terms energy: -589.746608
where:
bonds (distance) C4'-P energy: -128.430
bonds (distance) P-C4' energy: -111.882
flat angles C4'-P-C4' energy: -122.666
flat angles P-C4'-P energy: -74.623
tors. eta vs tors. theta energy: -152.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1734.159850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.159850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.159850 (E_RNA)
where:
Base-Base interactions energy: -1179.472
where: short stacking energy: -494.280
Base-Backbone interact. energy: -2.396
local terms energy: -552.291491
where:
bonds (distance) C4'-P energy: -109.144
bonds (distance) P-C4' energy: -116.256
flat angles C4'-P-C4' energy: -120.251
flat angles P-C4'-P energy: -62.951
tors. eta vs tors. theta energy: -143.690
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: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1606.123037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.123037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.123037 (E_RNA)
where:
Base-Base interactions energy: -1094.809
where: short stacking energy: -475.984
Base-Backbone interact. energy: -3.055
local terms energy: -508.258959
where:
bonds (distance) C4'-P energy: -85.319
bonds (distance) P-C4' energy: -97.091
flat angles C4'-P-C4' energy: -122.063
flat angles P-C4'-P energy: -71.216
tors. eta vs tors. theta energy: -132.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1295.720375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.720375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.720375 (E_RNA)
where:
Base-Base interactions energy: -838.953
where: short stacking energy: -397.752
Base-Backbone interact. energy: -2.371
local terms energy: -454.396394
where:
bonds (distance) C4'-P energy: -81.650
bonds (distance) P-C4' energy: -105.282
flat angles C4'-P-C4' energy: -113.753
flat angles P-C4'-P energy: -71.055
tors. eta vs tors. theta energy: -82.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1243.796535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.796535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.796535 (E_RNA)
where:
Base-Base interactions energy: -804.431
where: short stacking energy: -351.659
Base-Backbone interact. energy: 0.302
local terms energy: -439.667879
where:
bonds (distance) C4'-P energy: -98.597
bonds (distance) P-C4' energy: -93.177
flat angles C4'-P-C4' energy: -107.875
flat angles P-C4'-P energy: -54.358
tors. eta vs tors. theta energy: -85.661
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: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -848.407103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.407103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.407103 (E_RNA)
where:
Base-Base interactions energy: -487.898
where: short stacking energy: -235.595
Base-Backbone interact. energy: -1.380
local terms energy: -359.128964
where:
bonds (distance) C4'-P energy: -98.338
bonds (distance) P-C4' energy: -82.409
flat angles C4'-P-C4' energy: -91.852
flat angles P-C4'-P energy: -63.608
tors. eta vs tors. theta energy: -22.921
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: 2
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -625.736241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.736241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.736241 (E_RNA)
where:
Base-Base interactions energy: -317.316
where: short stacking energy: -173.386
Base-Backbone interact. energy: 2.633
local terms energy: -311.053881
where:
bonds (distance) C4'-P energy: -81.646
bonds (distance) P-C4' energy: -102.699
flat angles C4'-P-C4' energy: -82.038
flat angles P-C4'-P energy: -50.573
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: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -2106.103814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.103814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.103814 (E_RNA)
where:
Base-Base interactions energy: -1490.911
where: short stacking energy: -611.713
Base-Backbone interact. energy: -0.319
local terms energy: -614.873741
where:
bonds (distance) C4'-P energy: -105.730
bonds (distance) P-C4' energy: -106.732
flat angles C4'-P-C4' energy: -129.980
flat angles P-C4'-P energy: -96.990
tors. eta vs tors. theta energy: -175.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -2005.908535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.908535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.908535 (E_RNA)
where:
Base-Base interactions energy: -1384.677
where: short stacking energy: -584.983
Base-Backbone interact. energy: -1.590
local terms energy: -619.641446
where:
bonds (distance) C4'-P energy: -111.354
bonds (distance) P-C4' energy: -128.573
flat angles C4'-P-C4' energy: -139.968
flat angles P-C4'-P energy: -72.049
tors. eta vs tors. theta energy: -167.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1964.427595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.427595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.427595 (E_RNA)
where:
Base-Base interactions energy: -1336.197
where: short stacking energy: -548.908
Base-Backbone interact. energy: -0.503
local terms energy: -627.728570
where:
bonds (distance) C4'-P energy: -103.582
bonds (distance) P-C4' energy: -122.171
flat angles C4'-P-C4' energy: -142.598
flat angles P-C4'-P energy: -86.191
tors. eta vs tors. theta energy: -173.187
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: 8
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1809.116235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.116235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.116235 (E_RNA)
where:
Base-Base interactions energy: -1207.742
where: short stacking energy: -530.069
Base-Backbone interact. energy: -5.343
local terms energy: -596.030494
where:
bonds (distance) C4'-P energy: -117.747
bonds (distance) P-C4' energy: -117.267
flat angles C4'-P-C4' energy: -120.086
flat angles P-C4'-P energy: -75.603
tors. eta vs tors. theta energy: -165.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1705.807500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.807500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.807500 (E_RNA)
where:
Base-Base interactions energy: -1206.751
where: short stacking energy: -521.219
Base-Backbone interact. energy: 0.108
local terms energy: -499.164829
where:
bonds (distance) C4'-P energy: -86.052
bonds (distance) P-C4' energy: -103.420
flat angles C4'-P-C4' energy: -105.140
flat angles P-C4'-P energy: -72.000
tors. eta vs tors. theta energy: -132.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1611.182371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.182371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.182371 (E_RNA)
where:
Base-Base interactions energy: -1098.071
where: short stacking energy: -455.329
Base-Backbone interact. energy: -4.535
local terms energy: -508.576647
where:
bonds (distance) C4'-P energy: -96.448
bonds (distance) P-C4' energy: -109.322
flat angles C4'-P-C4' energy: -112.124
flat angles P-C4'-P energy: -70.285
tors. eta vs tors. theta energy: -120.397
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: 10
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1289.835171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.835171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.835171 (E_RNA)
where:
Base-Base interactions energy: -854.406
where: short stacking energy: -374.449
Base-Backbone interact. energy: -4.624
local terms energy: -430.805200
where:
bonds (distance) C4'-P energy: -84.136
bonds (distance) P-C4' energy: -110.604
flat angles C4'-P-C4' energy: -94.790
flat angles P-C4'-P energy: -53.769
tors. eta vs tors. theta energy: -87.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1228.728873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.728873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.728873 (E_RNA)
where:
Base-Base interactions energy: -788.694
where: short stacking energy: -345.079
Base-Backbone interact. energy: 1.033
local terms energy: -441.067864
where:
bonds (distance) C4'-P energy: -97.892
bonds (distance) P-C4' energy: -103.597
flat angles C4'-P-C4' energy: -102.493
flat angles P-C4'-P energy: -60.650
tors. eta vs tors. theta energy: -76.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -833.457534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.457534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.457534 (E_RNA)
where:
Base-Base interactions energy: -478.888
where: short stacking energy: -244.064
Base-Backbone interact. energy: -0.717
local terms energy: -353.853157
where:
bonds (distance) C4'-P energy: -83.861
bonds (distance) P-C4' energy: -95.351
flat angles C4'-P-C4' energy: -83.892
flat angles P-C4'-P energy: -65.630
tors. eta vs tors. theta energy: -25.120
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: 10, replica: 2
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -668.953104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.953104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.953104 (E_RNA)
where:
Base-Base interactions energy: -356.166
where: short stacking energy: -202.072
Base-Backbone interact. energy: -1.117
local terms energy: -311.670545
where:
bonds (distance) C4'-P energy: -98.060
bonds (distance) P-C4' energy: -109.797
flat angles C4'-P-C4' energy: -79.665
flat angles P-C4'-P energy: -35.445
tors. eta vs tors. theta energy: 11.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -2124.273905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.273905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.273905 (E_RNA)
where:
Base-Base interactions energy: -1481.568
where: short stacking energy: -595.414
Base-Backbone interact. energy: -2.990
local terms energy: -639.715769
where:
bonds (distance) C4'-P energy: -120.208
bonds (distance) P-C4' energy: -125.750
flat angles C4'-P-C4' energy: -129.137
flat angles P-C4'-P energy: -86.055
tors. eta vs tors. theta energy: -178.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1984.185801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.185801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.185801 (E_RNA)
where:
Base-Base interactions energy: -1365.684
where: short stacking energy: -585.745
Base-Backbone interact. energy: -2.921
local terms energy: -615.580886
where:
bonds (distance) C4'-P energy: -116.837
bonds (distance) P-C4' energy: -109.503
flat angles C4'-P-C4' energy: -132.208
flat angles P-C4'-P energy: -83.546
tors. eta vs tors. theta energy: -173.487
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: 3, replica: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1943.711134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.711134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.711134 (E_RNA)
where:
Base-Base interactions energy: -1348.986
where: short stacking energy: -574.069
Base-Backbone interact. energy: -2.299
local terms energy: -592.426201
where:
bonds (distance) C4'-P energy: -92.013
bonds (distance) P-C4' energy: -113.874
flat angles C4'-P-C4' energy: -133.626
flat angles P-C4'-P energy: -79.803
tors. eta vs tors. theta energy: -173.111
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: 4, replica: 1
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1774.496151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.496151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.496151 (E_RNA)
where:
Base-Base interactions energy: -1188.838
where: short stacking energy: -522.076
Base-Backbone interact. energy: -3.575
local terms energy: -582.083245
where:
bonds (distance) C4'-P energy: -112.012
bonds (distance) P-C4' energy: -111.129
flat angles C4'-P-C4' energy: -122.086
flat angles P-C4'-P energy: -89.020
tors. eta vs tors. theta energy: -147.836
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: 8
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1729.301648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.301648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.301648 (E_RNA)
where:
Base-Base interactions energy: -1185.652
where: short stacking energy: -506.848
Base-Backbone interact. energy: -0.057
local terms energy: -543.592956
where:
bonds (distance) C4'-P energy: -110.389
bonds (distance) P-C4' energy: -112.926
flat angles C4'-P-C4' energy: -105.887
flat angles P-C4'-P energy: -59.135
tors. eta vs tors. theta energy: -155.255
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: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1660.099199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.099199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.099199 (E_RNA)
where:
Base-Base interactions energy: -1139.917
where: short stacking energy: -500.042
Base-Backbone interact. energy: -0.269
local terms energy: -519.912899
where:
bonds (distance) C4'-P energy: -95.423
bonds (distance) P-C4' energy: -109.690
flat angles C4'-P-C4' energy: -115.443
flat angles P-C4'-P energy: -71.854
tors. eta vs tors. theta energy: -127.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1345.538482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.538482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.538482 (E_RNA)
where:
Base-Base interactions energy: -872.442
where: short stacking energy: -385.243
Base-Backbone interact. energy: 1.051
local terms energy: -474.148322
where:
bonds (distance) C4'-P energy: -100.589
bonds (distance) P-C4' energy: -98.574
flat angles C4'-P-C4' energy: -107.141
flat angles P-C4'-P energy: -70.561
tors. eta vs tors. theta energy: -97.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1153.513802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.513802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.513802 (E_RNA)
where:
Base-Base interactions energy: -760.772
where: short stacking energy: -335.849
Base-Backbone interact. energy: -0.692
local terms energy: -392.049899
where:
bonds (distance) C4'-P energy: -72.313
bonds (distance) P-C4' energy: -97.907
flat angles C4'-P-C4' energy: -99.523
flat angles P-C4'-P energy: -59.330
tors. eta vs tors. theta energy: -62.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -808.779350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.779350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.779350 (E_RNA)
where:
Base-Base interactions energy: -450.965
where: short stacking energy: -229.042
Base-Backbone interact. energy: -1.390
local terms energy: -356.423689
where:
bonds (distance) C4'-P energy: -81.548
bonds (distance) P-C4' energy: -96.773
flat angles C4'-P-C4' energy: -97.814
flat angles P-C4'-P energy: -57.463
tors. eta vs tors. theta energy: -22.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -639.615563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.615563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.615563 (E_RNA)
where:
Base-Base interactions energy: -336.383
where: short stacking energy: -187.316
Base-Backbone interact. energy: -1.267
local terms energy: -301.966457
where:
bonds (distance) C4'-P energy: -92.552
bonds (distance) P-C4' energy: -88.065
flat angles C4'-P-C4' energy: -81.156
flat angles P-C4'-P energy: -43.068
tors. eta vs tors. theta energy: 2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -2114.256464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2114.256464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2114.256464 (E_RNA)
where:
Base-Base interactions energy: -1474.353
where: short stacking energy: -611.731
Base-Backbone interact. energy: -3.925
local terms energy: -635.979295
where:
bonds (distance) C4'-P energy: -107.001
bonds (distance) P-C4' energy: -126.113
flat angles C4'-P-C4' energy: -137.672
flat angles P-C4'-P energy: -89.039
tors. eta vs tors. theta energy: -176.156
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: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -2006.683181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.683181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.683181 (E_RNA)
where:
Base-Base interactions energy: -1400.937
where: short stacking energy: -601.805
Base-Backbone interact. energy: -0.294
local terms energy: -605.452086
where:
bonds (distance) C4'-P energy: -106.208
bonds (distance) P-C4' energy: -108.606
flat angles C4'-P-C4' energy: -124.382
flat angles P-C4'-P energy: -82.379
tors. eta vs tors. theta energy: -183.878
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: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1989.575493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.575493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.575493 (E_RNA)
where:
Base-Base interactions energy: -1381.699
where: short stacking energy: -571.534
Base-Backbone interact. energy: -1.226
local terms energy: -606.650248
where:
bonds (distance) C4'-P energy: -120.984
bonds (distance) P-C4' energy: -112.706
flat angles C4'-P-C4' energy: -137.932
flat angles P-C4'-P energy: -77.260
tors. eta vs tors. theta energy: -157.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1755.223668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.223668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.223668 (E_RNA)
where:
Base-Base interactions energy: -1194.732
where: short stacking energy: -511.409
Base-Backbone interact. energy: 1.193
local terms energy: -561.684002
where:
bonds (distance) C4'-P energy: -110.515
bonds (distance) P-C4' energy: -105.880
flat angles C4'-P-C4' energy: -128.149
flat angles P-C4'-P energy: -77.168
tors. eta vs tors. theta energy: -139.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1714.076961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.076961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.076961 (E_RNA)
where:
Base-Base interactions energy: -1163.945
where: short stacking energy: -493.410
Base-Backbone interact. energy: -2.051
local terms energy: -548.081657
where:
bonds (distance) C4'-P energy: -110.966
bonds (distance) P-C4' energy: -107.742
flat angles C4'-P-C4' energy: -124.008
flat angles P-C4'-P energy: -63.713
tors. eta vs tors. theta energy: -141.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1624.958801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.958801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.958801 (E_RNA)
where:
Base-Base interactions energy: -1105.081
where: short stacking energy: -465.420
Base-Backbone interact. energy: -0.835
local terms energy: -519.042154
where:
bonds (distance) C4'-P energy: -98.982
bonds (distance) P-C4' energy: -106.186
flat angles C4'-P-C4' energy: -104.791
flat angles P-C4'-P energy: -74.770
tors. eta vs tors. theta energy: -134.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1324.361456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.361456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.361456 (E_RNA)
where:
Base-Base interactions energy: -861.695
where: short stacking energy: -374.242
Base-Backbone interact. energy: 0.477
local terms energy: -463.143620
where:
bonds (distance) C4'-P energy: -93.857
bonds (distance) P-C4' energy: -102.240
flat angles C4'-P-C4' energy: -107.497
flat angles P-C4'-P energy: -58.997
tors. eta vs tors. theta energy: -100.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1135.212190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.212190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.212190 (E_RNA)
where:
Base-Base interactions energy: -711.707
where: short stacking energy: -350.995
Base-Backbone interact. energy: 3.016
local terms energy: -426.521152
where:
bonds (distance) C4'-P energy: -99.860
bonds (distance) P-C4' energy: -95.155
flat angles C4'-P-C4' energy: -90.894
flat angles P-C4'-P energy: -72.091
tors. eta vs tors. theta energy: -68.521
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: 4
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -833.722816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.722816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.722816 (E_RNA)
where:
Base-Base interactions energy: -455.946
where: short stacking energy: -229.808
Base-Backbone interact. energy: 4.066
local terms energy: -381.843108
where:
bonds (distance) C4'-P energy: -104.508
bonds (distance) P-C4' energy: -113.118
flat angles C4'-P-C4' energy: -84.154
flat angles P-C4'-P energy: -52.995
tors. eta vs tors. theta energy: -27.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -652.618168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.618168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.618168 (E_RNA)
where:
Base-Base interactions energy: -321.903
where: short stacking energy: -196.744
Base-Backbone interact. energy: -2.009
local terms energy: -328.705592
where:
bonds (distance) C4'-P energy: -91.056
bonds (distance) P-C4' energy: -104.573
flat angles C4'-P-C4' energy: -80.281
flat angles P-C4'-P energy: -38.362
tors. eta vs tors. theta energy: -14.434
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: 1, replica: 9
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -2120.006938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2120.006938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2120.006938 (E_RNA)
where:
Base-Base interactions energy: -1500.578
where: short stacking energy: -617.648
Base-Backbone interact. energy: -3.586
local terms energy: -615.842417
where:
bonds (distance) C4'-P energy: -102.821
bonds (distance) P-C4' energy: -121.330
flat angles C4'-P-C4' energy: -129.845
flat angles P-C4'-P energy: -81.750
tors. eta vs tors. theta energy: -180.096
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: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1994.977995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.977995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.977995 (E_RNA)
where:
Base-Base interactions energy: -1408.035
where: short stacking energy: -597.997
Base-Backbone interact. energy: -2.731
local terms energy: -584.212415
where:
bonds (distance) C4'-P energy: -106.730
bonds (distance) P-C4' energy: -93.806
flat angles C4'-P-C4' energy: -122.762
flat angles P-C4'-P energy: -84.931
tors. eta vs tors. theta energy: -175.983
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: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -1936.710098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.710098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.710098 (E_RNA)
where:
Base-Base interactions energy: -1349.145
where: short stacking energy: -560.038
Base-Backbone interact. energy: 1.882
local terms energy: -589.447302
where:
bonds (distance) C4'-P energy: -106.983
bonds (distance) P-C4' energy: -99.583
flat angles C4'-P-C4' energy: -129.174
flat angles P-C4'-P energy: -91.338
tors. eta vs tors. theta energy: -162.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1819.439152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.439152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.439152 (E_RNA)
where:
Base-Base interactions energy: -1226.026
where: short stacking energy: -527.458
Base-Backbone interact. energy: -1.402
local terms energy: -592.011114
where:
bonds (distance) C4'-P energy: -111.782
bonds (distance) P-C4' energy: -110.726
flat angles C4'-P-C4' energy: -129.104
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -158.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -1711.273192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.273192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.273192 (E_RNA)
where:
Base-Base interactions energy: -1166.101
where: short stacking energy: -491.822
Base-Backbone interact. energy: 0.203
local terms energy: -545.375129
where:
bonds (distance) C4'-P energy: -98.542
bonds (distance) P-C4' energy: -97.154
flat angles C4'-P-C4' energy: -127.831
flat angles P-C4'-P energy: -82.298
tors. eta vs tors. theta energy: -139.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1653.423091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.423091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.423091 (E_RNA)
where:
Base-Base interactions energy: -1138.445
where: short stacking energy: -490.531
Base-Backbone interact. energy: -0.883
local terms energy: -514.094991
where:
bonds (distance) C4'-P energy: -82.903
bonds (distance) P-C4' energy: -80.923
flat angles C4'-P-C4' energy: -122.090
flat angles P-C4'-P energy: -75.523
tors. eta vs tors. theta energy: -152.656
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: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1402.297176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.297176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.297176 (E_RNA)
where:
Base-Base interactions energy: -922.122
where: short stacking energy: -433.589
Base-Backbone interact. energy: 1.839
local terms energy: -482.013855
where:
bonds (distance) C4'-P energy: -85.341
bonds (distance) P-C4' energy: -106.850
flat angles C4'-P-C4' energy: -108.397
flat angles P-C4'-P energy: -70.589
tors. eta vs tors. theta energy: -110.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1094.248587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.248587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.248587 (E_RNA)
where:
Base-Base interactions energy: -685.624
where: short stacking energy: -308.973
Base-Backbone interact. energy: -1.075
local terms energy: -407.549003
where:
bonds (distance) C4'-P energy: -103.464
bonds (distance) P-C4' energy: -99.358
flat angles C4'-P-C4' energy: -86.832
flat angles P-C4'-P energy: -60.037
tors. eta vs tors. theta energy: -57.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -824.713025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.713025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.713025 (E_RNA)
where:
Base-Base interactions energy: -460.703
where: short stacking energy: -241.415
Base-Backbone interact. energy: -0.631
local terms energy: -363.379055
where:
bonds (distance) C4'-P energy: -91.729
bonds (distance) P-C4' energy: -93.270
flat angles C4'-P-C4' energy: -98.712
flat angles P-C4'-P energy: -53.843
tors. eta vs tors. theta energy: -25.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -681.428090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.428090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.428090 (E_RNA)
where:
Base-Base interactions energy: -347.769
where: short stacking energy: -196.173
Base-Backbone interact. energy: -2.198
local terms energy: -331.460853
where:
bonds (distance) C4'-P energy: -99.954
bonds (distance) P-C4' energy: -103.293
flat angles C4'-P-C4' energy: -80.595
flat angles P-C4'-P energy: -39.713
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: 1, replica: 6
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -2048.851638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2048.851638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2048.851638 (E_RNA)
where:
Base-Base interactions energy: -1419.252
where: short stacking energy: -582.350
Base-Backbone interact. energy: -3.034
local terms energy: -626.565683
where:
bonds (distance) C4'-P energy: -111.615
bonds (distance) P-C4' energy: -126.196
flat angles C4'-P-C4' energy: -132.540
flat angles P-C4'-P energy: -73.582
tors. eta vs tors. theta energy: -182.632
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: 434
Temperature: 0.950000
Total energy: -2074.384684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2074.384684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2074.384684 (E_RNA)
where:
Base-Base interactions energy: -1451.874
where: short stacking energy: -592.427
Base-Backbone interact. energy: -1.044
local terms energy: -621.466361
where:
bonds (distance) C4'-P energy: -107.810
bonds (distance) P-C4' energy: -116.945
flat angles C4'-P-C4' energy: -140.067
flat angles P-C4'-P energy: -87.142
tors. eta vs tors. theta energy: -169.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1977.201728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.201728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.201728 (E_RNA)
where:
Base-Base interactions energy: -1385.098
where: short stacking energy: -592.606
Base-Backbone interact. energy: 0.832
local terms energy: -592.935532
where:
bonds (distance) C4'-P energy: -107.381
bonds (distance) P-C4' energy: -106.911
flat angles C4'-P-C4' energy: -122.385
flat angles P-C4'-P energy: -77.553
tors. eta vs tors. theta energy: -178.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1807.218953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.218953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.218953 (E_RNA)
where:
Base-Base interactions energy: -1222.111
where: short stacking energy: -507.928
Base-Backbone interact. energy: 0.169
local terms energy: -585.277747
where:
bonds (distance) C4'-P energy: -114.808
bonds (distance) P-C4' energy: -114.455
flat angles C4'-P-C4' energy: -120.177
flat angles P-C4'-P energy: -85.126
tors. eta vs tors. theta energy: -150.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1713.061317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.061317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.061317 (E_RNA)
where:
Base-Base interactions energy: -1190.062
where: short stacking energy: -492.052
Base-Backbone interact. energy: -2.427
local terms energy: -520.572097
where:
bonds (distance) C4'-P energy: -105.534
bonds (distance) P-C4' energy: -90.278
flat angles C4'-P-C4' energy: -126.438
flat angles P-C4'-P energy: -67.012
tors. eta vs tors. theta energy: -131.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1624.191907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.191907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.191907 (E_RNA)
where:
Base-Base interactions energy: -1112.802
where: short stacking energy: -486.066
Base-Backbone interact. energy: -0.062
local terms energy: -511.327797
where:
bonds (distance) C4'-P energy: -93.432
bonds (distance) P-C4' energy: -104.747
flat angles C4'-P-C4' energy: -114.341
flat angles P-C4'-P energy: -66.701
tors. eta vs tors. theta energy: -132.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1377.951917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.951917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.951917 (E_RNA)
where:
Base-Base interactions energy: -897.161
where: short stacking energy: -413.730
Base-Backbone interact. energy: -2.900
local terms energy: -477.890920
where:
bonds (distance) C4'-P energy: -92.899
bonds (distance) P-C4' energy: -99.243
flat angles C4'-P-C4' energy: -107.030
flat angles P-C4'-P energy: -75.756
tors. eta vs tors. theta energy: -102.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1072.367247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.367247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.367247 (E_RNA)
where:
Base-Base interactions energy: -670.684
where: short stacking energy: -306.638
Base-Backbone interact. energy: -2.506
local terms energy: -399.176421
where:
bonds (distance) C4'-P energy: -108.432
bonds (distance) P-C4' energy: -79.259
flat angles C4'-P-C4' energy: -88.327
flat angles P-C4'-P energy: -70.220
tors. eta vs tors. theta energy: -52.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -832.765453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.765453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.765453 (E_RNA)
where:
Base-Base interactions energy: -483.704
where: short stacking energy: -233.324
Base-Backbone interact. energy: 1.698
local terms energy: -350.759188
where:
bonds (distance) C4'-P energy: -78.642
bonds (distance) P-C4' energy: -107.100
flat angles C4'-P-C4' energy: -91.953
flat angles P-C4'-P energy: -54.536
tors. eta vs tors. theta energy: -18.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -654.877387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.877387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.877387 (E_RNA)
where:
Base-Base interactions energy: -315.954
where: short stacking energy: -165.292
Base-Backbone interact. energy: -1.552
local terms energy: -337.371963
where:
bonds (distance) C4'-P energy: -97.407
bonds (distance) P-C4' energy: -94.869
flat angles C4'-P-C4' energy: -88.423
flat angles P-C4'-P energy: -49.866
tors. eta vs tors. theta energy: -6.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -2052.853526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.853526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.853526 (E_RNA)
where:
Base-Base interactions energy: -1413.477
where: short stacking energy: -592.502
Base-Backbone interact. energy: -0.189
local terms energy: -639.187644
where:
bonds (distance) C4'-P energy: -119.934
bonds (distance) P-C4' energy: -124.269
flat angles C4'-P-C4' energy: -137.362
flat angles P-C4'-P energy: -79.868
tors. eta vs tors. theta energy: -177.755
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: 435
Temperature: 0.950000
Total energy: -2067.754452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.754452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.754452 (E_RNA)
where:
Base-Base interactions energy: -1452.936
where: short stacking energy: -612.597
Base-Backbone interact. energy: 5.106
local terms energy: -619.924522
where:
bonds (distance) C4'-P energy: -109.066
bonds (distance) P-C4' energy: -116.764
flat angles C4'-P-C4' energy: -130.683
flat angles P-C4'-P energy: -96.921
tors. eta vs tors. theta energy: -166.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1966.413155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.413155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.413155 (E_RNA)
where:
Base-Base interactions energy: -1380.526
where: short stacking energy: -555.040
Base-Backbone interact. energy: -0.728
local terms energy: -585.159068
where:
bonds (distance) C4'-P energy: -87.715
bonds (distance) P-C4' energy: -116.599
flat angles C4'-P-C4' energy: -122.480
flat angles P-C4'-P energy: -92.094
tors. eta vs tors. theta energy: -166.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1846.839220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.839220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.839220 (E_RNA)
where:
Base-Base interactions energy: -1287.755
where: short stacking energy: -553.417
Base-Backbone interact. energy: -2.976
local terms energy: -556.108515
where:
bonds (distance) C4'-P energy: -97.312
bonds (distance) P-C4' energy: -106.596
flat angles C4'-P-C4' energy: -115.801
flat angles P-C4'-P energy: -76.207
tors. eta vs tors. theta energy: -160.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1678.319127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.319127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.319127 (E_RNA)
where:
Base-Base interactions energy: -1141.068
where: short stacking energy: -486.099
Base-Backbone interact. energy: -3.658
local terms energy: -533.592621
where:
bonds (distance) C4'-P energy: -92.245
bonds (distance) P-C4' energy: -114.368
flat angles C4'-P-C4' energy: -115.975
flat angles P-C4'-P energy: -77.422
tors. eta vs tors. theta energy: -133.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1649.977326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.977326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.977326 (E_RNA)
where:
Base-Base interactions energy: -1102.159
where: short stacking energy: -460.903
Base-Backbone interact. energy: -2.544
local terms energy: -545.274667
where:
bonds (distance) C4'-P energy: -111.615
bonds (distance) P-C4' energy: -115.225
flat angles C4'-P-C4' energy: -110.148
flat angles P-C4'-P energy: -74.657
tors. eta vs tors. theta energy: -133.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1416.594057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.594057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.594057 (E_RNA)
where:
Base-Base interactions energy: -959.926
where: short stacking energy: -447.788
Base-Backbone interact. energy: 5.632
local terms energy: -462.300132
where:
bonds (distance) C4'-P energy: -97.564
bonds (distance) P-C4' energy: -89.241
flat angles C4'-P-C4' energy: -102.850
flat angles P-C4'-P energy: -56.756
tors. eta vs tors. theta energy: -115.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1125.474984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.474984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.474984 (E_RNA)
where:
Base-Base interactions energy: -707.277
where: short stacking energy: -311.503
Base-Backbone interact. energy: 0.479
local terms energy: -418.677338
where:
bonds (distance) C4'-P energy: -94.185
bonds (distance) P-C4' energy: -94.940
flat angles C4'-P-C4' energy: -117.364
flat angles P-C4'-P energy: -52.581
tors. eta vs tors. theta energy: -59.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -854.541496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.541496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.541496 (E_RNA)
where:
Base-Base interactions energy: -475.479
where: short stacking energy: -228.379
Base-Backbone interact. energy: -1.270
local terms energy: -377.792605
where:
bonds (distance) C4'-P energy: -104.661
bonds (distance) P-C4' energy: -102.572
flat angles C4'-P-C4' energy: -86.398
flat angles P-C4'-P energy: -72.818
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -666.800763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.800763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.800763 (E_RNA)
where:
Base-Base interactions energy: -326.893
where: short stacking energy: -163.388
Base-Backbone interact. energy: -2.951
local terms energy: -336.956980
where:
bonds (distance) C4'-P energy: -88.790
bonds (distance) P-C4' energy: -107.931
flat angles C4'-P-C4' energy: -73.322
flat angles P-C4'-P energy: -54.773
tors. eta vs tors. theta energy: -12.141
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: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -2090.317763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.317763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.317763 (E_RNA)
where:
Base-Base interactions energy: -1461.206
where: short stacking energy: -611.500
Base-Backbone interact. energy: -2.192
local terms energy: -626.919932
where:
bonds (distance) C4'-P energy: -109.654
bonds (distance) P-C4' energy: -119.180
flat angles C4'-P-C4' energy: -134.169
flat angles P-C4'-P energy: -88.030
tors. eta vs tors. theta energy: -175.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -2023.497164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2023.497164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2023.497164 (E_RNA)
where:
Base-Base interactions energy: -1398.204
where: short stacking energy: -597.880
Base-Backbone interact. energy: 0.980
local terms energy: -626.272896
where:
bonds (distance) C4'-P energy: -110.375
bonds (distance) P-C4' energy: -122.074
flat angles C4'-P-C4' energy: -131.124
flat angles P-C4'-P energy: -78.369
tors. eta vs tors. theta energy: -184.330
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: 7
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1971.010414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.010414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.010414 (E_RNA)
where:
Base-Base interactions energy: -1395.424
where: short stacking energy: -579.963
Base-Backbone interact. energy: 2.228
local terms energy: -577.814195
where:
bonds (distance) C4'-P energy: -97.949
bonds (distance) P-C4' energy: -115.654
flat angles C4'-P-C4' energy: -128.299
flat angles P-C4'-P energy: -67.113
tors. eta vs tors. theta energy: -168.798
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: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1809.821968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.821968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.821968 (E_RNA)
where:
Base-Base interactions energy: -1229.960
where: short stacking energy: -528.320
Base-Backbone interact. energy: -3.404
local terms energy: -576.457849
where:
bonds (distance) C4'-P energy: -109.040
bonds (distance) P-C4' energy: -119.512
flat angles C4'-P-C4' energy: -125.175
flat angles P-C4'-P energy: -72.939
tors. eta vs tors. theta energy: -149.791
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: 5
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1698.019292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.019292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.019292 (E_RNA)
where:
Base-Base interactions energy: -1138.266
where: short stacking energy: -521.312
Base-Backbone interact. energy: -1.242
local terms energy: -558.510631
where:
bonds (distance) C4'-P energy: -107.816
bonds (distance) P-C4' energy: -103.664
flat angles C4'-P-C4' energy: -118.478
flat angles P-C4'-P energy: -75.007
tors. eta vs tors. theta energy: -153.546
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: 436
Temperature: 1.150000
Total energy: -1697.857082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.857082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.857082 (E_RNA)
where:
Base-Base interactions energy: -1172.515
where: short stacking energy: -496.271
Base-Backbone interact. energy: -4.109
local terms energy: -521.232702
where:
bonds (distance) C4'-P energy: -88.296
bonds (distance) P-C4' energy: -110.401
flat angles C4'-P-C4' energy: -125.788
flat angles P-C4'-P energy: -60.225
tors. eta vs tors. theta energy: -136.521
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: 10
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1358.839686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.839686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.839686 (E_RNA)
where:
Base-Base interactions energy: -907.450
where: short stacking energy: -405.342
Base-Backbone interact. energy: -3.699
local terms energy: -447.690314
where:
bonds (distance) C4'-P energy: -88.810
bonds (distance) P-C4' energy: -101.181
flat angles C4'-P-C4' energy: -100.733
flat angles P-C4'-P energy: -61.349
tors. eta vs tors. theta energy: -95.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1099.064151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.064151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.064151 (E_RNA)
where:
Base-Base interactions energy: -670.885
where: short stacking energy: -313.506
Base-Backbone interact. energy: 2.297
local terms energy: -430.475807
where:
bonds (distance) C4'-P energy: -118.354
bonds (distance) P-C4' energy: -97.300
flat angles C4'-P-C4' energy: -96.381
flat angles P-C4'-P energy: -57.944
tors. eta vs tors. theta energy: -60.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -833.763487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.763487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.763487 (E_RNA)
where:
Base-Base interactions energy: -481.216
where: short stacking energy: -246.308
Base-Backbone interact. energy: 2.623
local terms energy: -355.169855
where:
bonds (distance) C4'-P energy: -104.721
bonds (distance) P-C4' energy: -93.628
flat angles C4'-P-C4' energy: -75.078
flat angles P-C4'-P energy: -72.172
tors. eta vs tors. theta energy: -9.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -642.868011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.868011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.868011 (E_RNA)
where:
Base-Base interactions energy: -339.709
where: short stacking energy: -192.787
Base-Backbone interact. energy: 1.777
local terms energy: -304.935885
where:
bonds (distance) C4'-P energy: -85.058
bonds (distance) P-C4' energy: -93.039
flat angles C4'-P-C4' energy: -75.606
flat angles P-C4'-P energy: -39.023
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -2104.930753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.930753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.930753 (E_RNA)
where:
Base-Base interactions energy: -1467.676
where: short stacking energy: -610.883
Base-Backbone interact. energy: -2.736
local terms energy: -634.518343
where:
bonds (distance) C4'-P energy: -110.935
bonds (distance) P-C4' energy: -120.959
flat angles C4'-P-C4' energy: -135.125
flat angles P-C4'-P energy: -98.883
tors. eta vs tors. theta energy: -168.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -2010.564138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2010.564138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2010.564138 (E_RNA)
where:
Base-Base interactions energy: -1408.610
where: short stacking energy: -601.348
Base-Backbone interact. energy: -2.581
local terms energy: -599.372457
where:
bonds (distance) C4'-P energy: -117.721
bonds (distance) P-C4' energy: -100.044
flat angles C4'-P-C4' energy: -130.102
flat angles P-C4'-P energy: -79.631
tors. eta vs tors. theta energy: -171.874
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: 3, replica: 7
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1974.908909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.908909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.908909 (E_RNA)
where:
Base-Base interactions energy: -1367.366
where: short stacking energy: -570.447
Base-Backbone interact. energy: 0.990
local terms energy: -608.532971
where:
bonds (distance) C4'-P energy: -101.340
bonds (distance) P-C4' energy: -113.451
flat angles C4'-P-C4' energy: -131.809
flat angles P-C4'-P energy: -96.026
tors. eta vs tors. theta energy: -165.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1853.252498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.252498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.252498 (E_RNA)
where:
Base-Base interactions energy: -1281.361
where: short stacking energy: -558.424
Base-Backbone interact. energy: -2.393
local terms energy: -569.497898
where:
bonds (distance) C4'-P energy: -103.775
bonds (distance) P-C4' energy: -91.436
flat angles C4'-P-C4' energy: -125.708
flat angles P-C4'-P energy: -70.469
tors. eta vs tors. theta energy: -178.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1745.079845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.079845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.079845 (E_RNA)
where:
Base-Base interactions energy: -1167.800
where: short stacking energy: -521.334
Base-Backbone interact. energy: -2.077
local terms energy: -575.202487
where:
bonds (distance) C4'-P energy: -120.347
bonds (distance) P-C4' energy: -94.811
flat angles C4'-P-C4' energy: -111.902
flat angles P-C4'-P energy: -85.403
tors. eta vs tors. theta energy: -162.740
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: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1721.831173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.831173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.831173 (E_RNA)
where:
Base-Base interactions energy: -1177.650
where: short stacking energy: -485.608
Base-Backbone interact. energy: 0.267
local terms energy: -544.449001
where:
bonds (distance) C4'-P energy: -114.605
bonds (distance) P-C4' energy: -102.361
flat angles C4'-P-C4' energy: -114.742
flat angles P-C4'-P energy: -74.308
tors. eta vs tors. theta energy: -138.433
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: 437
Temperature: 1.200000
Total energy: -1390.270797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.270797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.270797 (E_RNA)
where:
Base-Base interactions energy: -908.440
where: short stacking energy: -378.113
Base-Backbone interact. energy: 0.603
local terms energy: -482.433683
where:
bonds (distance) C4'-P energy: -115.806
bonds (distance) P-C4' energy: -98.932
flat angles C4'-P-C4' energy: -119.141
flat angles P-C4'-P energy: -58.724
tors. eta vs tors. theta energy: -89.831
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: 3
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1141.304225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.304225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.304225 (E_RNA)
where:
Base-Base interactions energy: -699.393
where: short stacking energy: -337.558
Base-Backbone interact. energy: 3.067
local terms energy: -444.978374
where:
bonds (distance) C4'-P energy: -84.105
bonds (distance) P-C4' energy: -96.091
flat angles C4'-P-C4' energy: -121.536
flat angles P-C4'-P energy: -67.568
tors. eta vs tors. theta energy: -75.678
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: 4
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -850.061419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.061419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.061419 (E_RNA)
where:
Base-Base interactions energy: -493.265
where: short stacking energy: -244.091
Base-Backbone interact. energy: -2.971
local terms energy: -353.825171
where:
bonds (distance) C4'-P energy: -73.771
bonds (distance) P-C4' energy: -100.478
flat angles C4'-P-C4' energy: -94.221
flat angles P-C4'-P energy: -53.592
tors. eta vs tors. theta energy: -31.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -635.351579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.351579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.351579 (E_RNA)
where:
Base-Base interactions energy: -310.227
where: short stacking energy: -177.379
Base-Backbone interact. energy: 3.176
local terms energy: -328.300583
where:
bonds (distance) C4'-P energy: -73.254
bonds (distance) P-C4' energy: -107.974
flat angles C4'-P-C4' energy: -90.682
flat angles P-C4'-P energy: -50.551
tors. eta vs tors. theta energy: -5.840
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: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -2108.410920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2108.410920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2108.410920 (E_RNA)
where:
Base-Base interactions energy: -1458.468
where: short stacking energy: -570.268
Base-Backbone interact. energy: -1.362
local terms energy: -648.581658
where:
bonds (distance) C4'-P energy: -125.409
bonds (distance) P-C4' energy: -130.577
flat angles C4'-P-C4' energy: -130.382
flat angles P-C4'-P energy: -96.218
tors. eta vs tors. theta energy: -165.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -2030.971887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.971887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.971887 (E_RNA)
where:
Base-Base interactions energy: -1399.721
where: short stacking energy: -611.134
Base-Backbone interact. energy: 1.604
local terms energy: -632.854564
where:
bonds (distance) C4'-P energy: -115.799
bonds (distance) P-C4' energy: -111.638
flat angles C4'-P-C4' energy: -136.047
flat angles P-C4'-P energy: -80.606
tors. eta vs tors. theta energy: -188.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1955.398954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.398954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.398954 (E_RNA)
where:
Base-Base interactions energy: -1350.698
where: short stacking energy: -562.944
Base-Backbone interact. energy: -2.128
local terms energy: -602.572717
where:
bonds (distance) C4'-P energy: -108.803
bonds (distance) P-C4' energy: -111.272
flat angles C4'-P-C4' energy: -131.776
flat angles P-C4'-P energy: -81.960
tors. eta vs tors. theta energy: -168.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1822.624625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.624625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.624625 (E_RNA)
where:
Base-Base interactions energy: -1265.957
where: short stacking energy: -514.076
Base-Backbone interact. energy: -0.898
local terms energy: -555.770356
where:
bonds (distance) C4'-P energy: -93.911
bonds (distance) P-C4' energy: -110.566
flat angles C4'-P-C4' energy: -127.758
flat angles P-C4'-P energy: -78.883
tors. eta vs tors. theta energy: -144.652
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: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1729.597379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.597379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.597379 (E_RNA)
where:
Base-Base interactions energy: -1173.889
where: short stacking energy: -518.327
Base-Backbone interact. energy: -1.959
local terms energy: -553.749136
where:
bonds (distance) C4'-P energy: -96.528
bonds (distance) P-C4' energy: -104.254
flat angles C4'-P-C4' energy: -114.554
flat angles P-C4'-P energy: -88.071
tors. eta vs tors. theta energy: -150.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1671.505412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.505412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.505412 (E_RNA)
where:
Base-Base interactions energy: -1165.608
where: short stacking energy: -497.434
Base-Backbone interact. energy: 0.399
local terms energy: -506.296291
where:
bonds (distance) C4'-P energy: -106.106
bonds (distance) P-C4' energy: -108.358
flat angles C4'-P-C4' energy: -103.570
flat angles P-C4'-P energy: -58.803
tors. eta vs tors. theta energy: -129.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1355.972690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.972690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.972690 (E_RNA)
where:
Base-Base interactions energy: -899.780
where: short stacking energy: -374.514
Base-Backbone interact. energy: -0.709
local terms energy: -455.483527
where:
bonds (distance) C4'-P energy: -98.048
bonds (distance) P-C4' energy: -101.001
flat angles C4'-P-C4' energy: -105.443
flat angles P-C4'-P energy: -57.967
tors. eta vs tors. theta energy: -93.023
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: 3
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1080.879528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.879528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.879528 (E_RNA)
where:
Base-Base interactions energy: -676.819
where: short stacking energy: -293.342
Base-Backbone interact. energy: -1.041
local terms energy: -403.019594
where:
bonds (distance) C4'-P energy: -83.303
bonds (distance) P-C4' energy: -94.168
flat angles C4'-P-C4' energy: -100.697
flat angles P-C4'-P energy: -65.660
tors. eta vs tors. theta energy: -59.192
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: 4
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -886.010249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.010249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.010249 (E_RNA)
where:
Base-Base interactions energy: -522.454
where: short stacking energy: -239.566
Base-Backbone interact. energy: -1.359
local terms energy: -362.196766
where:
bonds (distance) C4'-P energy: -83.831
bonds (distance) P-C4' energy: -108.440
flat angles C4'-P-C4' energy: -82.041
flat angles P-C4'-P energy: -53.911
tors. eta vs tors. theta energy: -33.974
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: 2
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -637.062740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.062740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.062740 (E_RNA)
where:
Base-Base interactions energy: -313.528
where: short stacking energy: -185.271
Base-Backbone interact. energy: 4.003
local terms energy: -327.537339
where:
bonds (distance) C4'-P energy: -74.672
bonds (distance) P-C4' energy: -101.128
flat angles C4'-P-C4' energy: -89.838
flat angles P-C4'-P energy: -54.287
tors. eta vs tors. theta energy: -7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -2098.496757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.496757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.496757 (E_RNA)
where:
Base-Base interactions energy: -1457.447
where: short stacking energy: -608.090
Base-Backbone interact. energy: 4.001
local terms energy: -645.050244
where:
bonds (distance) C4'-P energy: -119.365
bonds (distance) P-C4' energy: -120.439
flat angles C4'-P-C4' energy: -135.552
flat angles P-C4'-P energy: -94.317
tors. eta vs tors. theta energy: -175.377
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: 6
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -2017.622542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.622542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.622542 (E_RNA)
where:
Base-Base interactions energy: -1392.437
where: short stacking energy: -607.682
Base-Backbone interact. energy: 2.272
local terms energy: -627.458148
where:
bonds (distance) C4'-P energy: -120.471
bonds (distance) P-C4' energy: -117.164
flat angles C4'-P-C4' energy: -129.639
flat angles P-C4'-P energy: -73.169
tors. eta vs tors. theta energy: -187.015
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: 7
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1952.110577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.110577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.110577 (E_RNA)
where:
Base-Base interactions energy: -1337.153
where: short stacking energy: -551.921
Base-Backbone interact. energy: -1.953
local terms energy: -613.004277
where:
bonds (distance) C4'-P energy: -112.557
bonds (distance) P-C4' energy: -118.743
flat angles C4'-P-C4' energy: -131.599
flat angles P-C4'-P energy: -83.333
tors. eta vs tors. theta energy: -166.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1825.189527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.189527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.189527 (E_RNA)
where:
Base-Base interactions energy: -1239.873
where: short stacking energy: -527.256
Base-Backbone interact. energy: -3.305
local terms energy: -582.012239
where:
bonds (distance) C4'-P energy: -111.194
bonds (distance) P-C4' energy: -105.725
flat angles C4'-P-C4' energy: -128.739
flat angles P-C4'-P energy: -75.463
tors. eta vs tors. theta energy: -160.891
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: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1710.035293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.035293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.035293 (E_RNA)
where:
Base-Base interactions energy: -1153.236
where: short stacking energy: -505.669
Base-Backbone interact. energy: -3.469
local terms energy: -553.330239
where:
bonds (distance) C4'-P energy: -106.752
bonds (distance) P-C4' energy: -97.830
flat angles C4'-P-C4' energy: -112.846
flat angles P-C4'-P energy: -86.141
tors. eta vs tors. theta energy: -149.761
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: 6, replica: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1708.835301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.835301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.835301 (E_RNA)
where:
Base-Base interactions energy: -1178.946
where: short stacking energy: -503.064
Base-Backbone interact. energy: 0.801
local terms energy: -530.690011
where:
bonds (distance) C4'-P energy: -89.672
bonds (distance) P-C4' energy: -109.375
flat angles C4'-P-C4' energy: -130.735
flat angles P-C4'-P energy: -65.584
tors. eta vs tors. theta energy: -135.324
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: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1300.001199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.001199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.001199 (E_RNA)
where:
Base-Base interactions energy: -847.918
where: short stacking energy: -387.455
Base-Backbone interact. energy: -1.423
local terms energy: -450.660406
where:
bonds (distance) C4'-P energy: -112.478
bonds (distance) P-C4' energy: -86.638
flat angles C4'-P-C4' energy: -98.203
flat angles P-C4'-P energy: -71.140
tors. eta vs tors. theta energy: -82.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -883.592170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.592170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.592170 (E_RNA)
where:
Base-Base interactions energy: -495.945
where: short stacking energy: -256.341
Base-Backbone interact. energy: 3.144
local terms energy: -390.791005
where:
bonds (distance) C4'-P energy: -96.659
bonds (distance) P-C4' energy: -114.659
flat angles C4'-P-C4' energy: -84.034
flat angles P-C4'-P energy: -52.899
tors. eta vs tors. theta energy: -42.540
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: 4
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -853.743829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.743829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.743829 (E_RNA)
where:
Base-Base interactions energy: -487.450
where: short stacking energy: -263.255
Base-Backbone interact. energy: 6.860
local terms energy: -373.153333
where:
bonds (distance) C4'-P energy: -93.627
bonds (distance) P-C4' energy: -92.746
flat angles C4'-P-C4' energy: -90.153
flat angles P-C4'-P energy: -59.490
tors. eta vs tors. theta energy: -37.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -595.089868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.089868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.089868 (E_RNA)
where:
Base-Base interactions energy: -279.699
where: short stacking energy: -124.849
Base-Backbone interact. energy: -2.371
local terms energy: -313.019669
where:
bonds (distance) C4'-P energy: -73.840
bonds (distance) P-C4' energy: -97.904
flat angles C4'-P-C4' energy: -98.766
flat angles P-C4'-P energy: -56.114
tors. eta vs tors. theta energy: 13.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -2085.794247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.794247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.794247 (E_RNA)
where:
Base-Base interactions energy: -1452.616
where: short stacking energy: -594.360
Base-Backbone interact. energy: -3.089
local terms energy: -630.090001
where:
bonds (distance) C4'-P energy: -106.466
bonds (distance) P-C4' energy: -121.596
flat angles C4'-P-C4' energy: -133.580
flat angles P-C4'-P energy: -98.626
tors. eta vs tors. theta energy: -169.822
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: 2, replica: 6
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -2017.482444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.482444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.482444 (E_RNA)
where:
Base-Base interactions energy: -1395.015
where: short stacking energy: -603.359
Base-Backbone interact. energy: -1.425
local terms energy: -621.041732
where:
bonds (distance) C4'-P energy: -110.131
bonds (distance) P-C4' energy: -114.804
flat angles C4'-P-C4' energy: -127.697
flat angles P-C4'-P energy: -82.119
tors. eta vs tors. theta energy: -186.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1986.958264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.958264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.958264 (E_RNA)
where:
Base-Base interactions energy: -1372.908
where: short stacking energy: -563.926
Base-Backbone interact. energy: -1.196
local terms energy: -612.854320
where:
bonds (distance) C4'-P energy: -117.040
bonds (distance) P-C4' energy: -104.867
flat angles C4'-P-C4' energy: -136.548
flat angles P-C4'-P energy: -85.032
tors. eta vs tors. theta energy: -169.367
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: 8
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1821.252571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.252571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.252571 (E_RNA)
where:
Base-Base interactions energy: -1244.249
where: short stacking energy: -519.077
Base-Backbone interact. energy: -4.116
local terms energy: -572.887835
where:
bonds (distance) C4'-P energy: -98.131
bonds (distance) P-C4' energy: -121.896
flat angles C4'-P-C4' energy: -129.710
flat angles P-C4'-P energy: -76.673
tors. eta vs tors. theta energy: -146.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1703.915849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.915849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.915849 (E_RNA)
where:
Base-Base interactions energy: -1144.238
where: short stacking energy: -489.840
Base-Backbone interact. energy: 1.290
local terms energy: -560.966899
where:
bonds (distance) C4'-P energy: -103.442
bonds (distance) P-C4' energy: -108.791
flat angles C4'-P-C4' energy: -116.217
flat angles P-C4'-P energy: -84.960
tors. eta vs tors. theta energy: -147.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1678.497926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.497926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.497926 (E_RNA)
where:
Base-Base interactions energy: -1156.223
where: short stacking energy: -479.232
Base-Backbone interact. energy: 4.755
local terms energy: -527.029308
where:
bonds (distance) C4'-P energy: -93.629
bonds (distance) P-C4' energy: -116.569
flat angles C4'-P-C4' energy: -108.526
flat angles P-C4'-P energy: -68.966
tors. eta vs tors. theta energy: -139.339
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: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1329.890951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.890951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.890951 (E_RNA)
where:
Base-Base interactions energy: -851.053
where: short stacking energy: -374.871
Base-Backbone interact. energy: -1.981
local terms energy: -476.857501
where:
bonds (distance) C4'-P energy: -94.840
bonds (distance) P-C4' energy: -117.462
flat angles C4'-P-C4' energy: -107.763
flat angles P-C4'-P energy: -76.231
tors. eta vs tors. theta energy: -80.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -909.722876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.722876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.722876 (E_RNA)
where:
Base-Base interactions energy: -518.608
where: short stacking energy: -255.795
Base-Backbone interact. energy: 1.923
local terms energy: -393.037833
where:
bonds (distance) C4'-P energy: -89.073
bonds (distance) P-C4' energy: -111.954
flat angles C4'-P-C4' energy: -97.478
flat angles P-C4'-P energy: -42.643
tors. eta vs tors. theta energy: -51.890
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: 4
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -867.781398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.781398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.781398 (E_RNA)
where:
Base-Base interactions energy: -467.406
where: short stacking energy: -233.296
Base-Backbone interact. energy: -0.281
local terms energy: -400.094048
where:
bonds (distance) C4'-P energy: -96.000
bonds (distance) P-C4' energy: -107.503
flat angles C4'-P-C4' energy: -95.997
flat angles P-C4'-P energy: -58.951
tors. eta vs tors. theta energy: -41.643
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: 10, replica: 2
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -586.886460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.886460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.886460 (E_RNA)
where:
Base-Base interactions energy: -269.818
where: short stacking energy: -173.497
Base-Backbone interact. energy: 0.190
local terms energy: -317.258936
where:
bonds (distance) C4'-P energy: -102.988
bonds (distance) P-C4' energy: -105.031
flat angles C4'-P-C4' energy: -75.673
flat angles P-C4'-P energy: -40.754
tors. eta vs tors. theta energy: 7.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -2124.327262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.327262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.327262 (E_RNA)
where:
Base-Base interactions energy: -1479.656
where: short stacking energy: -613.296
Base-Backbone interact. energy: -4.823
local terms energy: -639.848627
where:
bonds (distance) C4'-P energy: -116.744
bonds (distance) P-C4' energy: -120.322
flat angles C4'-P-C4' energy: -141.651
flat angles P-C4'-P energy: -85.532
tors. eta vs tors. theta energy: -175.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -2006.892226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.892226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.892226 (E_RNA)
where:
Base-Base interactions energy: -1389.623
where: short stacking energy: -617.454
Base-Backbone interact. energy: -0.990
local terms energy: -616.279316
where:
bonds (distance) C4'-P energy: -110.815
bonds (distance) P-C4' energy: -105.033
flat angles C4'-P-C4' energy: -132.788
flat angles P-C4'-P energy: -79.443
tors. eta vs tors. theta energy: -188.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1966.145425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.145425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.145425 (E_RNA)
where:
Base-Base interactions energy: -1350.664
where: short stacking energy: -554.734
Base-Backbone interact. energy: -2.321
local terms energy: -613.159750
where:
bonds (distance) C4'-P energy: -109.886
bonds (distance) P-C4' energy: -122.308
flat angles C4'-P-C4' energy: -128.330
flat angles P-C4'-P energy: -85.412
tors. eta vs tors. theta energy: -167.223
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: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1851.467676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.467676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.467676 (E_RNA)
where:
Base-Base interactions energy: -1269.836
where: short stacking energy: -517.966
Base-Backbone interact. energy: -1.426
local terms energy: -580.206288
where:
bonds (distance) C4'-P energy: -103.998
bonds (distance) P-C4' energy: -97.447
flat angles C4'-P-C4' energy: -129.605
flat angles P-C4'-P energy: -89.824
tors. eta vs tors. theta energy: -159.332
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: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1668.975880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.975880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.975880 (E_RNA)
where:
Base-Base interactions energy: -1130.130
where: short stacking energy: -458.143
Base-Backbone interact. energy: -2.637
local terms energy: -536.208718
where:
bonds (distance) C4'-P energy: -111.203
bonds (distance) P-C4' energy: -97.480
flat angles C4'-P-C4' energy: -118.099
flat angles P-C4'-P energy: -75.977
tors. eta vs tors. theta energy: -133.451
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: 441
Temperature: 1.150000
Total energy: -1683.045272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.045272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.045272 (E_RNA)
where:
Base-Base interactions energy: -1167.815
where: short stacking energy: -519.489
Base-Backbone interact. energy: -1.070
local terms energy: -514.160218
where:
bonds (distance) C4'-P energy: -85.183
bonds (distance) P-C4' energy: -97.444
flat angles C4'-P-C4' energy: -105.743
flat angles P-C4'-P energy: -84.757
tors. eta vs tors. theta energy: -141.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1328.820003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.820003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.820003 (E_RNA)
where:
Base-Base interactions energy: -898.707
where: short stacking energy: -408.173
Base-Backbone interact. energy: -1.199
local terms energy: -428.913570
where:
bonds (distance) C4'-P energy: -85.065
bonds (distance) P-C4' energy: -98.807
flat angles C4'-P-C4' energy: -95.316
flat angles P-C4'-P energy: -52.968
tors. eta vs tors. theta energy: -96.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -938.848413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.848413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.848413 (E_RNA)
where:
Base-Base interactions energy: -510.618
where: short stacking energy: -263.336
Base-Backbone interact. energy: -2.553
local terms energy: -425.677561
where:
bonds (distance) C4'-P energy: -101.444
bonds (distance) P-C4' energy: -98.948
flat angles C4'-P-C4' energy: -113.066
flat angles P-C4'-P energy: -74.666
tors. eta vs tors. theta energy: -37.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -866.760655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.760655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.760655 (E_RNA)
where:
Base-Base interactions energy: -501.824
where: short stacking energy: -255.006
Base-Backbone interact. energy: -1.080
local terms energy: -363.856893
where:
bonds (distance) C4'-P energy: -108.298
bonds (distance) P-C4' energy: -84.995
flat angles C4'-P-C4' energy: -84.185
flat angles P-C4'-P energy: -47.916
tors. eta vs tors. theta energy: -38.462
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: 2
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -620.434406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.434406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.434406 (E_RNA)
where:
Base-Base interactions energy: -301.302
where: short stacking energy: -182.083
Base-Backbone interact. energy: -0.357
local terms energy: -318.775174
where:
bonds (distance) C4'-P energy: -86.161
bonds (distance) P-C4' energy: -99.682
flat angles C4'-P-C4' energy: -89.639
flat angles P-C4'-P energy: -52.553
tors. eta vs tors. theta energy: 9.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -2128.506794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2128.506794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2128.506794 (E_RNA)
where:
Base-Base interactions energy: -1498.593
where: short stacking energy: -628.538
Base-Backbone interact. energy: -2.483
local terms energy: -627.430003
where:
bonds (distance) C4'-P energy: -113.606
bonds (distance) P-C4' energy: -121.220
flat angles C4'-P-C4' energy: -138.500
flat angles P-C4'-P energy: -76.962
tors. eta vs tors. theta energy: -177.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -2011.327755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.327755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.327755 (E_RNA)
where:
Base-Base interactions energy: -1384.359
where: short stacking energy: -614.140
Base-Backbone interact. energy: 1.307
local terms energy: -628.276121
where:
bonds (distance) C4'-P energy: -113.652
bonds (distance) P-C4' energy: -125.182
flat angles C4'-P-C4' energy: -122.606
flat angles P-C4'-P energy: -88.262
tors. eta vs tors. theta energy: -178.575
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: 7
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1964.060375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.060375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.060375 (E_RNA)
where:
Base-Base interactions energy: -1354.175
where: short stacking energy: -571.672
Base-Backbone interact. energy: -0.659
local terms energy: -609.226605
where:
bonds (distance) C4'-P energy: -105.287
bonds (distance) P-C4' energy: -116.522
flat angles C4'-P-C4' energy: -126.036
flat angles P-C4'-P energy: -89.649
tors. eta vs tors. theta energy: -171.733
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: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1869.903086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.903086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.903086 (E_RNA)
where:
Base-Base interactions energy: -1290.368
where: short stacking energy: -546.890
Base-Backbone interact. energy: 0.036
local terms energy: -579.571352
where:
bonds (distance) C4'-P energy: -105.089
bonds (distance) P-C4' energy: -114.834
flat angles C4'-P-C4' energy: -128.572
flat angles P-C4'-P energy: -72.234
tors. eta vs tors. theta energy: -158.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1681.321553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.321553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.321553 (E_RNA)
where:
Base-Base interactions energy: -1149.083
where: short stacking energy: -488.486
Base-Backbone interact. energy: 0.179
local terms energy: -532.417434
where:
bonds (distance) C4'-P energy: -92.643
bonds (distance) P-C4' energy: -105.044
flat angles C4'-P-C4' energy: -97.865
flat angles P-C4'-P energy: -87.992
tors. eta vs tors. theta energy: -148.874
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: 442
Temperature: 1.150000
Total energy: -1658.714588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.714588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.714588 (E_RNA)
where:
Base-Base interactions energy: -1146.614
where: short stacking energy: -478.603
Base-Backbone interact. energy: 1.778
local terms energy: -513.878681
where:
bonds (distance) C4'-P energy: -78.674
bonds (distance) P-C4' energy: -102.725
flat angles C4'-P-C4' energy: -113.298
flat angles P-C4'-P energy: -86.512
tors. eta vs tors. theta energy: -132.669
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: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1315.875197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.875197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.875197 (E_RNA)
where:
Base-Base interactions energy: -871.972
where: short stacking energy: -361.544
Base-Backbone interact. energy: 0.327
local terms energy: -444.230807
where:
bonds (distance) C4'-P energy: -99.812
bonds (distance) P-C4' energy: -108.139
flat angles C4'-P-C4' energy: -104.409
flat angles P-C4'-P energy: -54.623
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: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -889.691652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.691652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.691652 (E_RNA)
where:
Base-Base interactions energy: -496.784
where: short stacking energy: -261.435
Base-Backbone interact. energy: 3.938
local terms energy: -396.845628
where:
bonds (distance) C4'-P energy: -102.435
bonds (distance) P-C4' energy: -106.974
flat angles C4'-P-C4' energy: -80.161
flat angles P-C4'-P energy: -56.928
tors. eta vs tors. theta energy: -50.348
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: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -844.618927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.618927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.618927 (E_RNA)
where:
Base-Base interactions energy: -495.860
where: short stacking energy: -231.226
Base-Backbone interact. energy: -3.371
local terms energy: -345.387374
where:
bonds (distance) C4'-P energy: -75.868
bonds (distance) P-C4' energy: -105.337
flat angles C4'-P-C4' energy: -83.397
flat angles P-C4'-P energy: -55.183
tors. eta vs tors. theta energy: -25.603
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: 2
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -586.807300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.807300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.807300 (E_RNA)
where:
Base-Base interactions energy: -276.328
where: short stacking energy: -164.016
Base-Backbone interact. energy: 5.370
local terms energy: -315.849606
where:
bonds (distance) C4'-P energy: -92.576
bonds (distance) P-C4' energy: -100.720
flat angles C4'-P-C4' energy: -57.266
flat angles P-C4'-P energy: -64.829
tors. eta vs tors. theta energy: -0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -2121.637673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2121.637673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2121.637673 (E_RNA)
where:
Base-Base interactions energy: -1496.751
where: short stacking energy: -626.445
Base-Backbone interact. energy: 2.918
local terms energy: -627.805074
where:
bonds (distance) C4'-P energy: -114.288
bonds (distance) P-C4' energy: -118.066
flat angles C4'-P-C4' energy: -133.881
flat angles P-C4'-P energy: -91.588
tors. eta vs tors. theta energy: -169.982
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: 6
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -2020.311061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2020.311061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2020.311061 (E_RNA)
where:
Base-Base interactions energy: -1395.658
where: short stacking energy: -603.530
Base-Backbone interact. energy: -2.267
local terms energy: -622.385872
where:
bonds (distance) C4'-P energy: -118.643
bonds (distance) P-C4' energy: -108.979
flat angles C4'-P-C4' energy: -138.810
flat angles P-C4'-P energy: -81.526
tors. eta vs tors. theta energy: -174.428
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: 7
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1957.350499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.350499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.350499 (E_RNA)
where:
Base-Base interactions energy: -1358.267
where: short stacking energy: -562.829
Base-Backbone interact. energy: -2.819
local terms energy: -596.264948
where:
bonds (distance) C4'-P energy: -91.535
bonds (distance) P-C4' energy: -110.183
flat angles C4'-P-C4' energy: -136.654
flat angles P-C4'-P energy: -88.466
tors. eta vs tors. theta energy: -169.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1818.286262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.286262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.286262 (E_RNA)
where:
Base-Base interactions energy: -1253.812
where: short stacking energy: -525.253
Base-Backbone interact. energy: -1.421
local terms energy: -563.052976
where:
bonds (distance) C4'-P energy: -117.702
bonds (distance) P-C4' energy: -118.197
flat angles C4'-P-C4' energy: -115.639
flat angles P-C4'-P energy: -66.612
tors. eta vs tors. theta energy: -144.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1708.646859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.646859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.646859 (E_RNA)
where:
Base-Base interactions energy: -1161.104
where: short stacking energy: -513.803
Base-Backbone interact. energy: 0.277
local terms energy: -547.820258
where:
bonds (distance) C4'-P energy: -104.699
bonds (distance) P-C4' energy: -92.995
flat angles C4'-P-C4' energy: -128.485
flat angles P-C4'-P energy: -72.617
tors. eta vs tors. theta energy: -149.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1670.204144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.204144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.204144 (E_RNA)
where:
Base-Base interactions energy: -1163.714
where: short stacking energy: -487.061
Base-Backbone interact. energy: -2.677
local terms energy: -503.812637
where:
bonds (distance) C4'-P energy: -90.175
bonds (distance) P-C4' energy: -94.327
flat angles C4'-P-C4' energy: -114.698
flat angles P-C4'-P energy: -73.400
tors. eta vs tors. theta energy: -131.213
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: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1317.777463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.777463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.777463 (E_RNA)
where:
Base-Base interactions energy: -857.598
where: short stacking energy: -373.288
Base-Backbone interact. energy: -0.829
local terms energy: -459.350365
where:
bonds (distance) C4'-P energy: -105.582
bonds (distance) P-C4' energy: -91.551
flat angles C4'-P-C4' energy: -96.764
flat angles P-C4'-P energy: -66.903
tors. eta vs tors. theta energy: -98.550
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: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -899.547109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.547109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.547109 (E_RNA)
where:
Base-Base interactions energy: -550.537
where: short stacking energy: -289.830
Base-Backbone interact. energy: -0.861
local terms energy: -348.149554
where:
bonds (distance) C4'-P energy: -75.146
bonds (distance) P-C4' energy: -86.148
flat angles C4'-P-C4' energy: -84.446
flat angles P-C4'-P energy: -72.473
tors. eta vs tors. theta energy: -29.937
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: 9, replica: 4
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -838.047999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.047999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.047999 (E_RNA)
where:
Base-Base interactions energy: -460.336
where: short stacking energy: -238.773
Base-Backbone interact. energy: -0.969
local terms energy: -376.743879
where:
bonds (distance) C4'-P energy: -85.185
bonds (distance) P-C4' energy: -102.707
flat angles C4'-P-C4' energy: -110.550
flat angles P-C4'-P energy: -64.871
tors. eta vs tors. theta energy: -13.431
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: 2
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -628.086106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.086106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.086106 (E_RNA)
where:
Base-Base interactions energy: -314.647
where: short stacking energy: -170.452
Base-Backbone interact. energy: 1.329
local terms energy: -314.768083
where:
bonds (distance) C4'-P energy: -95.734
bonds (distance) P-C4' energy: -99.347
flat angles C4'-P-C4' energy: -76.637
flat angles P-C4'-P energy: -47.002
tors. eta vs tors. theta energy: 3.951
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: 1, replica: 9
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -2092.667414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2092.667414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2092.667414 (E_RNA)
where:
Base-Base interactions energy: -1461.276
where: short stacking energy: -593.467
Base-Backbone interact. energy: -0.112
local terms energy: -631.279409
where:
bonds (distance) C4'-P energy: -119.552
bonds (distance) P-C4' energy: -127.791
flat angles C4'-P-C4' energy: -114.832
flat angles P-C4'-P energy: -102.161
tors. eta vs tors. theta energy: -166.944
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: 6
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -2004.629029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.629029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.629029 (E_RNA)
where:
Base-Base interactions energy: -1378.256
where: short stacking energy: -561.537
Base-Backbone interact. energy: -3.085
local terms energy: -623.288276
where:
bonds (distance) C4'-P energy: -123.546
bonds (distance) P-C4' energy: -104.336
flat angles C4'-P-C4' energy: -134.366
flat angles P-C4'-P energy: -78.113
tors. eta vs tors. theta energy: -182.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1967.811600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.811600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.811600 (E_RNA)
where:
Base-Base interactions energy: -1378.745
where: short stacking energy: -585.374
Base-Backbone interact. energy: -0.241
local terms energy: -588.825430
where:
bonds (distance) C4'-P energy: -100.887
bonds (distance) P-C4' energy: -123.718
flat angles C4'-P-C4' energy: -115.917
flat angles P-C4'-P energy: -81.872
tors. eta vs tors. theta energy: -166.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1816.192555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.192555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.192555 (E_RNA)
where:
Base-Base interactions energy: -1244.503
where: short stacking energy: -561.228
Base-Backbone interact. energy: 4.649
local terms energy: -576.338260
where:
bonds (distance) C4'-P energy: -91.512
bonds (distance) P-C4' energy: -118.898
flat angles C4'-P-C4' energy: -130.193
flat angles P-C4'-P energy: -84.445
tors. eta vs tors. theta energy: -151.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1696.064280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.064280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.064280 (E_RNA)
where:
Base-Base interactions energy: -1136.628
where: short stacking energy: -463.056
Base-Backbone interact. energy: -0.362
local terms energy: -559.074335
where:
bonds (distance) C4'-P energy: -105.003
bonds (distance) P-C4' energy: -116.575
flat angles C4'-P-C4' energy: -124.828
flat angles P-C4'-P energy: -73.106
tors. eta vs tors. theta energy: -139.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1697.170307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.170307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.170307 (E_RNA)
where:
Base-Base interactions energy: -1196.309
where: short stacking energy: -488.280
Base-Backbone interact. energy: -1.402
local terms energy: -499.459473
where:
bonds (distance) C4'-P energy: -99.556
bonds (distance) P-C4' energy: -81.980
flat angles C4'-P-C4' energy: -120.514
flat angles P-C4'-P energy: -69.027
tors. eta vs tors. theta energy: -128.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1350.392266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.392266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.392266 (E_RNA)
where:
Base-Base interactions energy: -866.516
where: short stacking energy: -382.178
Base-Backbone interact. energy: -1.745
local terms energy: -482.131643
where:
bonds (distance) C4'-P energy: -112.337
bonds (distance) P-C4' energy: -102.704
flat angles C4'-P-C4' energy: -103.660
flat angles P-C4'-P energy: -74.258
tors. eta vs tors. theta energy: -89.173
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: 8, replica: 3
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -986.371608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.371608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.371608 (E_RNA)
where:
Base-Base interactions energy: -611.781
where: short stacking energy: -279.512
Base-Backbone interact. energy: -0.864
local terms energy: -373.727177
where:
bonds (distance) C4'-P energy: -83.074
bonds (distance) P-C4' energy: -93.362
flat angles C4'-P-C4' energy: -92.782
flat angles P-C4'-P energy: -68.346
tors. eta vs tors. theta energy: -36.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -924.879516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.879516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.879516 (E_RNA)
where:
Base-Base interactions energy: -540.677
where: short stacking energy: -258.090
Base-Backbone interact. energy: -1.072
local terms energy: -383.130349
where:
bonds (distance) C4'-P energy: -102.227
bonds (distance) P-C4' energy: -101.795
flat angles C4'-P-C4' energy: -91.410
flat angles P-C4'-P energy: -66.299
tors. eta vs tors. theta energy: -21.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -611.268341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.268341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.268341 (E_RNA)
where:
Base-Base interactions energy: -296.486
where: short stacking energy: -176.097
Base-Backbone interact. energy: 1.118
local terms energy: -315.901259
where:
bonds (distance) C4'-P energy: -91.152
bonds (distance) P-C4' energy: -98.581
flat angles C4'-P-C4' energy: -75.765
flat angles P-C4'-P energy: -49.302
tors. eta vs tors. theta energy: -1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -2088.487156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2088.487156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2088.487156 (E_RNA)
where:
Base-Base interactions energy: -1462.084
where: short stacking energy: -609.620
Base-Backbone interact. energy: -3.878
local terms energy: -622.524562
where:
bonds (distance) C4'-P energy: -109.315
bonds (distance) P-C4' energy: -119.202
flat angles C4'-P-C4' energy: -136.657
flat angles P-C4'-P energy: -87.023
tors. eta vs tors. theta energy: -170.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1979.135030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.135030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.135030 (E_RNA)
where:
Base-Base interactions energy: -1401.624
where: short stacking energy: -567.267
Base-Backbone interact. energy: -1.029
local terms energy: -576.481830
where:
bonds (distance) C4'-P energy: -102.870
bonds (distance) P-C4' energy: -93.724
flat angles C4'-P-C4' energy: -124.102
flat angles P-C4'-P energy: -80.718
tors. eta vs tors. theta energy: -175.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1959.205625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.205625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.205625 (E_RNA)
where:
Base-Base interactions energy: -1355.357
where: short stacking energy: -567.250
Base-Backbone interact. energy: -3.088
local terms energy: -600.761016
where:
bonds (distance) C4'-P energy: -96.648
bonds (distance) P-C4' energy: -113.431
flat angles C4'-P-C4' energy: -130.032
flat angles P-C4'-P energy: -84.467
tors. eta vs tors. theta energy: -176.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1814.977102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.977102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.977102 (E_RNA)
where:
Base-Base interactions energy: -1234.473
where: short stacking energy: -527.134
Base-Backbone interact. energy: -0.394
local terms energy: -580.110163
where:
bonds (distance) C4'-P energy: -97.767
bonds (distance) P-C4' energy: -113.096
flat angles C4'-P-C4' energy: -125.026
flat angles P-C4'-P energy: -82.048
tors. eta vs tors. theta energy: -162.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1691.164330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.164330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.164330 (E_RNA)
where:
Base-Base interactions energy: -1130.332
where: short stacking energy: -492.277
Base-Backbone interact. energy: 0.177
local terms energy: -561.009669
where:
bonds (distance) C4'-P energy: -101.790
bonds (distance) P-C4' energy: -108.111
flat angles C4'-P-C4' energy: -128.040
flat angles P-C4'-P energy: -66.462
tors. eta vs tors. theta energy: -156.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1695.686773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.686773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.686773 (E_RNA)
where:
Base-Base interactions energy: -1177.176
where: short stacking energy: -489.239
Base-Backbone interact. energy: 6.521
local terms energy: -525.032614
where:
bonds (distance) C4'-P energy: -101.903
bonds (distance) P-C4' energy: -101.894
flat angles C4'-P-C4' energy: -115.788
flat angles P-C4'-P energy: -70.936
tors. eta vs tors. theta energy: -134.512
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: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1330.880498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.880498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.880498 (E_RNA)
where:
Base-Base interactions energy: -851.110
where: short stacking energy: -389.672
Base-Backbone interact. energy: -0.868
local terms energy: -478.902399
where:
bonds (distance) C4'-P energy: -99.692
bonds (distance) P-C4' energy: -108.343
flat angles C4'-P-C4' energy: -110.123
flat angles P-C4'-P energy: -66.990
tors. eta vs tors. theta energy: -93.754
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: 3
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -959.596679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.596679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.596679 (E_RNA)
where:
Base-Base interactions energy: -543.299
where: short stacking energy: -266.695
Base-Backbone interact. energy: -0.211
local terms energy: -416.085807
where:
bonds (distance) C4'-P energy: -104.520
bonds (distance) P-C4' energy: -110.416
flat angles C4'-P-C4' energy: -97.510
flat angles P-C4'-P energy: -66.523
tors. eta vs tors. theta energy: -37.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -887.403583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.403583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.403583 (E_RNA)
where:
Base-Base interactions energy: -531.270
where: short stacking energy: -253.842
Base-Backbone interact. energy: -0.614
local terms energy: -355.519378
where:
bonds (distance) C4'-P energy: -113.249
bonds (distance) P-C4' energy: -78.932
flat angles C4'-P-C4' energy: -74.608
flat angles P-C4'-P energy: -56.746
tors. eta vs tors. theta energy: -31.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -696.161973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.161973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.161973 (E_RNA)
where:
Base-Base interactions energy: -357.000
where: short stacking energy: -202.062
Base-Backbone interact. energy: -3.889
local terms energy: -335.272391
where:
bonds (distance) C4'-P energy: -89.679
bonds (distance) P-C4' energy: -87.006
flat angles C4'-P-C4' energy: -85.664
flat angles P-C4'-P energy: -57.924
tors. eta vs tors. theta energy: -14.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -2113.660169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.660169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.660169 (E_RNA)
where:
Base-Base interactions energy: -1485.998
where: short stacking energy: -616.419
Base-Backbone interact. energy: -1.512
local terms energy: -626.150230
where:
bonds (distance) C4'-P energy: -110.688
bonds (distance) P-C4' energy: -112.998
flat angles C4'-P-C4' energy: -136.577
flat angles P-C4'-P energy: -90.321
tors. eta vs tors. theta energy: -175.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1980.923033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.923033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.923033 (E_RNA)
where:
Base-Base interactions energy: -1377.827
where: short stacking energy: -590.723
Base-Backbone interact. energy: -0.639
local terms energy: -602.457431
where:
bonds (distance) C4'-P energy: -109.918
bonds (distance) P-C4' energy: -109.174
flat angles C4'-P-C4' energy: -118.954
flat angles P-C4'-P energy: -91.767
tors. eta vs tors. theta energy: -172.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1993.691738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.691738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.691738 (E_RNA)
where:
Base-Base interactions energy: -1375.006
where: short stacking energy: -565.272
Base-Backbone interact. energy: -3.226
local terms energy: -615.459661
where:
bonds (distance) C4'-P energy: -103.682
bonds (distance) P-C4' energy: -126.263
flat angles C4'-P-C4' energy: -121.493
flat angles P-C4'-P energy: -90.712
tors. eta vs tors. theta energy: -173.309
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: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1837.697289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.697289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.697289 (E_RNA)
where:
Base-Base interactions energy: -1275.628
where: short stacking energy: -534.530
Base-Backbone interact. energy: -3.968
local terms energy: -558.100541
where:
bonds (distance) C4'-P energy: -117.047
bonds (distance) P-C4' energy: -90.379
flat angles C4'-P-C4' energy: -126.551
flat angles P-C4'-P energy: -57.611
tors. eta vs tors. theta energy: -166.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1726.122165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.122165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.122165 (E_RNA)
where:
Base-Base interactions energy: -1177.649
where: short stacking energy: -524.801
Base-Backbone interact. energy: -2.153
local terms energy: -546.320583
where:
bonds (distance) C4'-P energy: -77.897
bonds (distance) P-C4' energy: -103.227
flat angles C4'-P-C4' energy: -126.644
flat angles P-C4'-P energy: -74.479
tors. eta vs tors. theta energy: -164.075
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: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1731.076469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.076469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.076469 (E_RNA)
where:
Base-Base interactions energy: -1194.426
where: short stacking energy: -499.080
Base-Backbone interact. energy: -0.435
local terms energy: -536.215541
where:
bonds (distance) C4'-P energy: -89.800
bonds (distance) P-C4' energy: -115.557
flat angles C4'-P-C4' energy: -120.872
flat angles P-C4'-P energy: -76.333
tors. eta vs tors. theta energy: -133.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1338.397466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.397466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.397466 (E_RNA)
where:
Base-Base interactions energy: -870.719
where: short stacking energy: -382.318
Base-Backbone interact. energy: 0.094
local terms energy: -467.773108
where:
bonds (distance) C4'-P energy: -105.389
bonds (distance) P-C4' energy: -92.078
flat angles C4'-P-C4' energy: -103.163
flat angles P-C4'-P energy: -68.081
tors. eta vs tors. theta energy: -99.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -870.074710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.074710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.074710 (E_RNA)
where:
Base-Base interactions energy: -504.574
where: short stacking energy: -241.533
Base-Backbone interact. energy: -3.206
local terms energy: -362.294794
where:
bonds (distance) C4'-P energy: -94.155
bonds (distance) P-C4' energy: -84.181
flat angles C4'-P-C4' energy: -96.388
flat angles P-C4'-P energy: -65.611
tors. eta vs tors. theta energy: -21.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -920.633887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.633887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.633887 (E_RNA)
where:
Base-Base interactions energy: -513.331
where: short stacking energy: -251.633
Base-Backbone interact. energy: 2.262
local terms energy: -409.565198
where:
bonds (distance) C4'-P energy: -99.970
bonds (distance) P-C4' energy: -95.075
flat angles C4'-P-C4' energy: -98.662
flat angles P-C4'-P energy: -69.004
tors. eta vs tors. theta energy: -46.855
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: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -679.572199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.572199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.572199 (E_RNA)
where:
Base-Base interactions energy: -362.937
where: short stacking energy: -186.377
Base-Backbone interact. energy: 0.048
local terms energy: -316.682968
where:
bonds (distance) C4'-P energy: -97.598
bonds (distance) P-C4' energy: -92.920
flat angles C4'-P-C4' energy: -85.072
flat angles P-C4'-P energy: -40.385
tors. eta vs tors. theta energy: -0.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -2073.465114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2073.465114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2073.465114 (E_RNA)
where:
Base-Base interactions energy: -1433.085
where: short stacking energy: -597.587
Base-Backbone interact. energy: 1.626
local terms energy: -642.006420
where:
bonds (distance) C4'-P energy: -104.587
bonds (distance) P-C4' energy: -117.880
flat angles C4'-P-C4' energy: -140.130
flat angles P-C4'-P energy: -105.027
tors. eta vs tors. theta energy: -174.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -2038.378062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.378062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.378062 (E_RNA)
where:
Base-Base interactions energy: -1405.687
where: short stacking energy: -564.432
Base-Backbone interact. energy: -1.687
local terms energy: -631.004920
where:
bonds (distance) C4'-P energy: -113.692
bonds (distance) P-C4' energy: -126.910
flat angles C4'-P-C4' energy: -136.773
flat angles P-C4'-P energy: -87.611
tors. eta vs tors. theta energy: -166.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1964.463146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.463146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.463146 (E_RNA)
where:
Base-Base interactions energy: -1371.205
where: short stacking energy: -598.134
Base-Backbone interact. energy: -3.055
local terms energy: -590.203734
where:
bonds (distance) C4'-P energy: -103.827
bonds (distance) P-C4' energy: -92.955
flat angles C4'-P-C4' energy: -132.136
flat angles P-C4'-P energy: -88.301
tors. eta vs tors. theta energy: -172.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1816.994636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.994636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.994636 (E_RNA)
where:
Base-Base interactions energy: -1240.867
where: short stacking energy: -514.650
Base-Backbone interact. energy: -0.969
local terms energy: -575.158519
where:
bonds (distance) C4'-P energy: -117.259
bonds (distance) P-C4' energy: -106.606
flat angles C4'-P-C4' energy: -126.170
flat angles P-C4'-P energy: -66.634
tors. eta vs tors. theta energy: -158.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1715.708203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.708203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.708203 (E_RNA)
where:
Base-Base interactions energy: -1183.102
where: short stacking energy: -473.184
Base-Backbone interact. energy: -3.085
local terms energy: -529.520303
where:
bonds (distance) C4'-P energy: -92.049
bonds (distance) P-C4' energy: -108.370
flat angles C4'-P-C4' energy: -113.523
flat angles P-C4'-P energy: -82.018
tors. eta vs tors. theta energy: -133.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1620.924131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.924131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.924131 (E_RNA)
where:
Base-Base interactions energy: -1116.896
where: short stacking energy: -467.683
Base-Backbone interact. energy: -1.354
local terms energy: -502.674076
where:
bonds (distance) C4'-P energy: -85.630
bonds (distance) P-C4' energy: -112.213
flat angles C4'-P-C4' energy: -116.099
flat angles P-C4'-P energy: -54.580
tors. eta vs tors. theta energy: -134.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1311.924916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.924916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.924916 (E_RNA)
where:
Base-Base interactions energy: -858.506
where: short stacking energy: -395.576
Base-Backbone interact. energy: 0.686
local terms energy: -454.104386
where:
bonds (distance) C4'-P energy: -87.368
bonds (distance) P-C4' energy: -107.722
flat angles C4'-P-C4' energy: -100.921
flat angles P-C4'-P energy: -57.083
tors. eta vs tors. theta energy: -101.010
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: 447
Temperature: 1.250000
Total energy: -932.941832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.941832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.941832 (E_RNA)
where:
Base-Base interactions energy: -549.358
where: short stacking energy: -288.421
Base-Backbone interact. energy: -0.186
local terms energy: -383.397025
where:
bonds (distance) C4'-P energy: -85.737
bonds (distance) P-C4' energy: -96.794
flat angles C4'-P-C4' energy: -100.693
flat angles P-C4'-P energy: -53.592
tors. eta vs tors. theta energy: -46.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -780.539739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.539739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.539739 (E_RNA)
where:
Base-Base interactions energy: -441.356
where: short stacking energy: -222.490
Base-Backbone interact. energy: -0.956
local terms energy: -338.227074
where:
bonds (distance) C4'-P energy: -87.532
bonds (distance) P-C4' energy: -93.936
flat angles C4'-P-C4' energy: -91.577
flat angles P-C4'-P energy: -45.380
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -582.369605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.369605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.369605 (E_RNA)
where:
Base-Base interactions energy: -275.420
where: short stacking energy: -168.770
Base-Backbone interact. energy: -2.695
local terms energy: -304.254552
where:
bonds (distance) C4'-P energy: -91.748
bonds (distance) P-C4' energy: -76.542
flat angles C4'-P-C4' energy: -90.355
flat angles P-C4'-P energy: -46.807
tors. eta vs tors. theta energy: 1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -2122.354632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2122.354632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2122.354632 (E_RNA)
where:
Base-Base interactions energy: -1498.216
where: short stacking energy: -631.330
Base-Backbone interact. energy: 2.731
local terms energy: -626.869071
where:
bonds (distance) C4'-P energy: -102.037
bonds (distance) P-C4' energy: -117.171
flat angles C4'-P-C4' energy: -130.538
flat angles P-C4'-P energy: -92.726
tors. eta vs tors. theta energy: -184.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -2019.638520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.638520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.638520 (E_RNA)
where:
Base-Base interactions energy: -1406.314
where: short stacking energy: -566.016
Base-Backbone interact. energy: -2.121
local terms energy: -611.203587
where:
bonds (distance) C4'-P energy: -115.862
bonds (distance) P-C4' energy: -97.144
flat angles C4'-P-C4' energy: -130.374
flat angles P-C4'-P energy: -91.521
tors. eta vs tors. theta energy: -176.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1934.740419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.740419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.740419 (E_RNA)
where:
Base-Base interactions energy: -1312.118
where: short stacking energy: -577.723
Base-Backbone interact. energy: -2.159
local terms energy: -620.463680
where:
bonds (distance) C4'-P energy: -117.524
bonds (distance) P-C4' energy: -105.392
flat angles C4'-P-C4' energy: -133.044
flat angles P-C4'-P energy: -92.996
tors. eta vs tors. theta energy: -171.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1822.108108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.108108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.108108 (E_RNA)
where:
Base-Base interactions energy: -1244.701
where: short stacking energy: -548.272
Base-Backbone interact. energy: -1.849
local terms energy: -575.557943
where:
bonds (distance) C4'-P energy: -101.939
bonds (distance) P-C4' energy: -108.102
flat angles C4'-P-C4' energy: -125.661
flat angles P-C4'-P energy: -78.585
tors. eta vs tors. theta energy: -161.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1743.095263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.095263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.095263 (E_RNA)
where:
Base-Base interactions energy: -1198.673
where: short stacking energy: -497.521
Base-Backbone interact. energy: -1.999
local terms energy: -542.423538
where:
bonds (distance) C4'-P energy: -93.194
bonds (distance) P-C4' energy: -103.808
flat angles C4'-P-C4' energy: -126.136
flat angles P-C4'-P energy: -67.908
tors. eta vs tors. theta energy: -151.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1645.402862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.402862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.402862 (E_RNA)
where:
Base-Base interactions energy: -1108.536
where: short stacking energy: -476.709
Base-Backbone interact. energy: -4.278
local terms energy: -532.589471
where:
bonds (distance) C4'-P energy: -103.227
bonds (distance) P-C4' energy: -109.001
flat angles C4'-P-C4' energy: -129.308
flat angles P-C4'-P energy: -70.624
tors. eta vs tors. theta energy: -120.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1351.746126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.746126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.746126 (E_RNA)
where:
Base-Base interactions energy: -872.573
where: short stacking energy: -383.885
Base-Backbone interact. energy: 0.257
local terms energy: -479.429770
where:
bonds (distance) C4'-P energy: -105.591
bonds (distance) P-C4' energy: -103.485
flat angles C4'-P-C4' energy: -116.115
flat angles P-C4'-P energy: -59.436
tors. eta vs tors. theta energy: -94.802
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: 448
Temperature: 1.250000
Total energy: -998.038311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.038311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.038311 (E_RNA)
where:
Base-Base interactions energy: -607.432
where: short stacking energy: -287.733
Base-Backbone interact. energy: 2.727
local terms energy: -393.333199
where:
bonds (distance) C4'-P energy: -76.951
bonds (distance) P-C4' energy: -98.892
flat angles C4'-P-C4' energy: -104.897
flat angles P-C4'-P energy: -54.577
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: 9, replica: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -745.325432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.325432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.325432 (E_RNA)
where:
Base-Base interactions energy: -402.751
where: short stacking energy: -212.372
Base-Backbone interact. energy: -1.573
local terms energy: -341.001689
where:
bonds (distance) C4'-P energy: -85.083
bonds (distance) P-C4' energy: -95.059
flat angles C4'-P-C4' energy: -91.078
flat angles P-C4'-P energy: -52.921
tors. eta vs tors. theta energy: -16.860
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: 2
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -597.181728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.181728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.181728 (E_RNA)
where:
Base-Base interactions energy: -285.186
where: short stacking energy: -148.831
Base-Backbone interact. energy: -0.062
local terms energy: -311.933758
where:
bonds (distance) C4'-P energy: -103.852
bonds (distance) P-C4' energy: -104.199
flat angles C4'-P-C4' energy: -71.602
flat angles P-C4'-P energy: -49.876
tors. eta vs tors. theta energy: 17.595
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: 449
Temperature: 0.900000
Total energy: -2100.890695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2100.890695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2100.890695 (E_RNA)
where:
Base-Base interactions energy: -1468.780
where: short stacking energy: -610.404
Base-Backbone interact. energy: -0.056
local terms energy: -632.054473
where:
bonds (distance) C4'-P energy: -120.794
bonds (distance) P-C4' energy: -112.441
flat angles C4'-P-C4' energy: -126.909
flat angles P-C4'-P energy: -91.945
tors. eta vs tors. theta energy: -179.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -2029.600214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.600214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.600214 (E_RNA)
where:
Base-Base interactions energy: -1406.427
where: short stacking energy: -585.550
Base-Backbone interact. energy: -3.562
local terms energy: -619.611118
where:
bonds (distance) C4'-P energy: -110.390
bonds (distance) P-C4' energy: -109.515
flat angles C4'-P-C4' energy: -127.533
flat angles P-C4'-P energy: -91.315
tors. eta vs tors. theta energy: -180.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1951.467413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.467413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.467413 (E_RNA)
where:
Base-Base interactions energy: -1354.551
where: short stacking energy: -572.836
Base-Backbone interact. energy: 1.423
local terms energy: -598.338863
where:
bonds (distance) C4'-P energy: -111.814
bonds (distance) P-C4' energy: -113.202
flat angles C4'-P-C4' energy: -125.767
flat angles P-C4'-P energy: -77.458
tors. eta vs tors. theta energy: -170.098
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: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1837.786290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.786290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.786290 (E_RNA)
where:
Base-Base interactions energy: -1275.237
where: short stacking energy: -538.124
Base-Backbone interact. energy: -2.954
local terms energy: -559.595586
where:
bonds (distance) C4'-P energy: -85.058
bonds (distance) P-C4' energy: -103.352
flat angles C4'-P-C4' energy: -130.749
flat angles P-C4'-P energy: -81.006
tors. eta vs tors. theta energy: -159.431
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: 5, replica: 5
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1738.752024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.752024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.752024 (E_RNA)
where:
Base-Base interactions energy: -1202.911
where: short stacking energy: -509.014
Base-Backbone interact. energy: -0.749
local terms energy: -535.092112
where:
bonds (distance) C4'-P energy: -100.105
bonds (distance) P-C4' energy: -88.104
flat angles C4'-P-C4' energy: -118.981
flat angles P-C4'-P energy: -75.724
tors. eta vs tors. theta energy: -152.179
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: 1
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1705.836539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.836539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.836539 (E_RNA)
where:
Base-Base interactions energy: -1165.633
where: short stacking energy: -501.880
Base-Backbone interact. energy: -2.065
local terms energy: -538.138221
where:
bonds (distance) C4'-P energy: -102.062
bonds (distance) P-C4' energy: -97.756
flat angles C4'-P-C4' energy: -117.905
flat angles P-C4'-P energy: -78.497
tors. eta vs tors. theta energy: -141.918
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: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1360.236428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.236428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.236428 (E_RNA)
where:
Base-Base interactions energy: -900.875
where: short stacking energy: -402.310
Base-Backbone interact. energy: 3.356
local terms energy: -462.717801
where:
bonds (distance) C4'-P energy: -106.947
bonds (distance) P-C4' energy: -96.412
flat angles C4'-P-C4' energy: -91.918
flat angles P-C4'-P energy: -69.785
tors. eta vs tors. theta energy: -97.656
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: 449
Temperature: 1.250000
Total energy: -1054.455500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.455500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.455500 (E_RNA)
where:
Base-Base interactions energy: -650.405
where: short stacking energy: -299.407
Base-Backbone interact. energy: -4.160
local terms energy: -399.890518
where:
bonds (distance) C4'-P energy: -98.066
bonds (distance) P-C4' energy: -94.693
flat angles C4'-P-C4' energy: -101.381
flat angles P-C4'-P energy: -53.592
tors. eta vs tors. theta energy: -52.159
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: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -753.233874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.233874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.233874 (E_RNA)
where:
Base-Base interactions energy: -409.623
where: short stacking energy: -233.736
Base-Backbone interact. energy: -2.397
local terms energy: -341.213546
where:
bonds (distance) C4'-P energy: -88.474
bonds (distance) P-C4' energy: -94.861
flat angles C4'-P-C4' energy: -78.340
flat angles P-C4'-P energy: -58.001
tors. eta vs tors. theta energy: -21.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -610.029072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.029072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.029072 (E_RNA)
where:
Base-Base interactions energy: -275.181
where: short stacking energy: -148.326
Base-Backbone interact. energy: -1.660
local terms energy: -333.188241
where:
bonds (distance) C4'-P energy: -88.401
bonds (distance) P-C4' energy: -90.968
flat angles C4'-P-C4' energy: -88.283
flat angles P-C4'-P energy: -62.408
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: 1, replica: 9
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -2098.624395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.624395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.624395 (E_RNA)
where:
Base-Base interactions energy: -1469.163
where: short stacking energy: -607.543
Base-Backbone interact. energy: 1.001
local terms energy: -630.461813
where:
bonds (distance) C4'-P energy: -117.670
bonds (distance) P-C4' energy: -119.051
flat angles C4'-P-C4' energy: -125.809
flat angles P-C4'-P energy: -88.551
tors. eta vs tors. theta energy: -179.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -2026.512686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2026.512686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2026.512686 (E_RNA)
where:
Base-Base interactions energy: -1405.398
where: short stacking energy: -582.123
Base-Backbone interact. energy: -3.362
local terms energy: -617.752541
where:
bonds (distance) C4'-P energy: -113.216
bonds (distance) P-C4' energy: -110.379
flat angles C4'-P-C4' energy: -132.284
flat angles P-C4'-P energy: -81.666
tors. eta vs tors. theta energy: -180.208
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: 6
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1939.552735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.552735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.552735 (E_RNA)
where:
Base-Base interactions energy: -1340.173
where: short stacking energy: -587.322
Base-Backbone interact. energy: -2.688
local terms energy: -596.691592
where:
bonds (distance) C4'-P energy: -96.192
bonds (distance) P-C4' energy: -123.504
flat angles C4'-P-C4' energy: -129.592
flat angles P-C4'-P energy: -78.076
tors. eta vs tors. theta energy: -169.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1787.827917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.827917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.827917 (E_RNA)
where:
Base-Base interactions energy: -1219.247
where: short stacking energy: -537.488
Base-Backbone interact. energy: -1.148
local terms energy: -567.433117
where:
bonds (distance) C4'-P energy: -107.128
bonds (distance) P-C4' energy: -114.342
flat angles C4'-P-C4' energy: -124.364
flat angles P-C4'-P energy: -61.538
tors. eta vs tors. theta energy: -160.061
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: 5
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1689.503334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.503334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.503334 (E_RNA)
where:
Base-Base interactions energy: -1144.203
where: short stacking energy: -501.368
Base-Backbone interact. energy: -0.968
local terms energy: -544.332593
where:
bonds (distance) C4'-P energy: -101.469
bonds (distance) P-C4' energy: -102.325
flat angles C4'-P-C4' energy: -125.969
flat angles P-C4'-P energy: -72.366
tors. eta vs tors. theta energy: -142.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1628.406266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.406266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.406266 (E_RNA)
where:
Base-Base interactions energy: -1135.922
where: short stacking energy: -464.685
Base-Backbone interact. energy: 1.015
local terms energy: -493.498675
where:
bonds (distance) C4'-P energy: -96.507
bonds (distance) P-C4' energy: -103.959
flat angles C4'-P-C4' energy: -103.405
flat angles P-C4'-P energy: -61.985
tors. eta vs tors. theta energy: -127.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1351.510742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.510742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.510742 (E_RNA)
where:
Base-Base interactions energy: -873.922
where: short stacking energy: -408.820
Base-Backbone interact. energy: -0.282
local terms energy: -477.305820
where:
bonds (distance) C4'-P energy: -91.450
bonds (distance) P-C4' energy: -106.581
flat angles C4'-P-C4' energy: -123.894
flat angles P-C4'-P energy: -58.109
tors. eta vs tors. theta energy: -97.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1102.695914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.695914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.695914 (E_RNA)
where:
Base-Base interactions energy: -687.369
where: short stacking energy: -303.521
Base-Backbone interact. energy: -0.897
local terms energy: -414.430200
where:
bonds (distance) C4'-P energy: -91.999
bonds (distance) P-C4' energy: -99.429
flat angles C4'-P-C4' energy: -107.196
flat angles P-C4'-P energy: -64.085
tors. eta vs tors. theta energy: -51.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -677.387281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.387281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.387281 (E_RNA)
where:
Base-Base interactions energy: -351.463
where: short stacking energy: -206.026
Base-Backbone interact. energy: -0.239
local terms energy: -325.685425
where:
bonds (distance) C4'-P energy: -81.950
bonds (distance) P-C4' energy: -89.428
flat angles C4'-P-C4' energy: -75.995
flat angles P-C4'-P energy: -57.305
tors. eta vs tors. theta energy: -21.007
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: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -665.685649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.685649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.685649 (E_RNA)
where:
Base-Base interactions energy: -352.671
where: short stacking energy: -184.337
Base-Backbone interact. energy: 5.298
local terms energy: -318.312423
where:
bonds (distance) C4'-P energy: -96.595
bonds (distance) P-C4' energy: -82.290
flat angles C4'-P-C4' energy: -79.255
flat angles P-C4'-P energy: -49.290
tors. eta vs tors. theta energy: -10.883
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: 1, replica: 9
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -2119.998018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2119.998018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2119.998018 (E_RNA)
where:
Base-Base interactions energy: -1480.644
where: short stacking energy: -627.324
Base-Backbone interact. energy: -2.601
local terms energy: -636.753117
where:
bonds (distance) C4'-P energy: -112.053
bonds (distance) P-C4' energy: -118.769
flat angles C4'-P-C4' energy: -129.591
flat angles P-C4'-P energy: -94.693
tors. eta vs tors. theta energy: -181.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1998.559797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.559797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.559797 (E_RNA)
where:
Base-Base interactions energy: -1379.589
where: short stacking energy: -578.908
Base-Backbone interact. energy: -1.877
local terms energy: -617.093838
where:
bonds (distance) C4'-P energy: -112.108
bonds (distance) P-C4' energy: -112.823
flat angles C4'-P-C4' energy: -125.965
flat angles P-C4'-P energy: -83.847
tors. eta vs tors. theta energy: -182.351
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: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -2007.364529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2007.364529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2007.364529 (E_RNA)
where:
Base-Base interactions energy: -1411.116
where: short stacking energy: -583.895
Base-Backbone interact. energy: -3.262
local terms energy: -592.986226
where:
bonds (distance) C4'-P energy: -108.203
bonds (distance) P-C4' energy: -101.262
flat angles C4'-P-C4' energy: -116.540
flat angles P-C4'-P energy: -82.451
tors. eta vs tors. theta energy: -184.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1771.706225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.706225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.706225 (E_RNA)
where:
Base-Base interactions energy: -1210.025
where: short stacking energy: -551.980
Base-Backbone interact. energy: 1.393
local terms energy: -563.074378
where:
bonds (distance) C4'-P energy: -103.763
bonds (distance) P-C4' energy: -90.011
flat angles C4'-P-C4' energy: -124.536
flat angles P-C4'-P energy: -82.108
tors. eta vs tors. theta energy: -162.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1747.251121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.251121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.251121 (E_RNA)
where:
Base-Base interactions energy: -1205.920
where: short stacking energy: -514.774
Base-Backbone interact. energy: -0.323
local terms energy: -541.008555
where:
bonds (distance) C4'-P energy: -97.570
bonds (distance) P-C4' energy: -104.775
flat angles C4'-P-C4' energy: -109.988
flat angles P-C4'-P energy: -67.212
tors. eta vs tors. theta energy: -161.463
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: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1651.846804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.846804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.846804 (E_RNA)
where:
Base-Base interactions energy: -1142.584
where: short stacking energy: -462.608
Base-Backbone interact. energy: -3.250
local terms energy: -506.013320
where:
bonds (distance) C4'-P energy: -105.822
bonds (distance) P-C4' energy: -92.612
flat angles C4'-P-C4' energy: -114.020
flat angles P-C4'-P energy: -60.574
tors. eta vs tors. theta energy: -132.985
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: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1317.054110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.054110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.054110 (E_RNA)
where:
Base-Base interactions energy: -891.138
where: short stacking energy: -377.002
Base-Backbone interact. energy: 5.242
local terms energy: -431.158351
where:
bonds (distance) C4'-P energy: -92.077
bonds (distance) P-C4' energy: -90.525
flat angles C4'-P-C4' energy: -108.970
flat angles P-C4'-P energy: -63.408
tors. eta vs tors. theta energy: -76.178
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: 451
Temperature: 1.250000
Total energy: -1109.056172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.056172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.056172 (E_RNA)
where:
Base-Base interactions energy: -672.256
where: short stacking energy: -313.047
Base-Backbone interact. energy: 1.455
local terms energy: -438.254323
where:
bonds (distance) C4'-P energy: -102.457
bonds (distance) P-C4' energy: -107.345
flat angles C4'-P-C4' energy: -101.104
flat angles P-C4'-P energy: -62.754
tors. eta vs tors. theta energy: -64.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -731.434895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.434895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.434895 (E_RNA)
where:
Base-Base interactions energy: -388.483
where: short stacking energy: -229.430
Base-Backbone interact. energy: -0.831
local terms energy: -342.120333
where:
bonds (distance) C4'-P energy: -91.010
bonds (distance) P-C4' energy: -98.467
flat angles C4'-P-C4' energy: -77.441
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -25.947
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: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -617.353351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.353351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.353351 (E_RNA)
where:
Base-Base interactions energy: -306.528
where: short stacking energy: -173.961
Base-Backbone interact. energy: -2.441
local terms energy: -308.384744
where:
bonds (distance) C4'-P energy: -81.469
bonds (distance) P-C4' energy: -91.327
flat angles C4'-P-C4' energy: -96.937
flat angles P-C4'-P energy: -47.475
tors. eta vs tors. theta energy: 8.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -2111.408596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.408596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.408596 (E_RNA)
where:
Base-Base interactions energy: -1477.065
where: short stacking energy: -618.885
Base-Backbone interact. energy: -3.148
local terms energy: -631.195545
where:
bonds (distance) C4'-P energy: -118.586
bonds (distance) P-C4' energy: -111.151
flat angles C4'-P-C4' energy: -130.014
flat angles P-C4'-P energy: -91.471
tors. eta vs tors. theta energy: -179.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1994.290462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.290462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.290462 (E_RNA)
where:
Base-Base interactions energy: -1359.796
where: short stacking energy: -592.149
Base-Backbone interact. energy: -3.867
local terms energy: -630.626843
where:
bonds (distance) C4'-P energy: -115.980
bonds (distance) P-C4' energy: -124.793
flat angles C4'-P-C4' energy: -122.545
flat angles P-C4'-P energy: -95.001
tors. eta vs tors. theta energy: -172.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -2003.083279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.083279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.083279 (E_RNA)
where:
Base-Base interactions energy: -1387.662
where: short stacking energy: -586.833
Base-Backbone interact. energy: -2.385
local terms energy: -613.036260
where:
bonds (distance) C4'-P energy: -97.947
bonds (distance) P-C4' energy: -117.560
flat angles C4'-P-C4' energy: -122.486
flat angles P-C4'-P energy: -98.648
tors. eta vs tors. theta energy: -176.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1805.713510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.713510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.713510 (E_RNA)
where:
Base-Base interactions energy: -1229.734
where: short stacking energy: -541.482
Base-Backbone interact. energy: -1.101
local terms energy: -574.879389
where:
bonds (distance) C4'-P energy: -108.279
bonds (distance) P-C4' energy: -95.710
flat angles C4'-P-C4' energy: -125.969
flat angles P-C4'-P energy: -82.042
tors. eta vs tors. theta energy: -162.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1683.418553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.418553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.418553 (E_RNA)
where:
Base-Base interactions energy: -1142.908
where: short stacking energy: -477.389
Base-Backbone interact. energy: -4.075
local terms energy: -536.436045
where:
bonds (distance) C4'-P energy: -86.150
bonds (distance) P-C4' energy: -108.774
flat angles C4'-P-C4' energy: -119.282
flat angles P-C4'-P energy: -81.912
tors. eta vs tors. theta energy: -140.318
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: 8
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1661.954508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.954508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.954508 (E_RNA)
where:
Base-Base interactions energy: -1131.890
where: short stacking energy: -484.930
Base-Backbone interact. energy: -3.714
local terms energy: -526.349934
where:
bonds (distance) C4'-P energy: -96.050
bonds (distance) P-C4' energy: -102.773
flat angles C4'-P-C4' energy: -110.466
flat angles P-C4'-P energy: -73.123
tors. eta vs tors. theta energy: -143.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1336.049658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.049658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.049658 (E_RNA)
where:
Base-Base interactions energy: -866.494
where: short stacking energy: -385.396
Base-Backbone interact. energy: -4.101
local terms energy: -465.455294
where:
bonds (distance) C4'-P energy: -93.543
bonds (distance) P-C4' energy: -109.008
flat angles C4'-P-C4' energy: -110.081
flat angles P-C4'-P energy: -60.806
tors. eta vs tors. theta energy: -92.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1141.886526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.886526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.886526 (E_RNA)
where:
Base-Base interactions energy: -744.197
where: short stacking energy: -335.366
Base-Backbone interact. energy: -1.539
local terms energy: -396.150439
where:
bonds (distance) C4'-P energy: -83.823
bonds (distance) P-C4' energy: -101.644
flat angles C4'-P-C4' energy: -87.748
flat angles P-C4'-P energy: -61.124
tors. eta vs tors. theta energy: -61.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -719.947108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.947108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.947108 (E_RNA)
where:
Base-Base interactions energy: -367.262
where: short stacking energy: -212.098
Base-Backbone interact. energy: -1.834
local terms energy: -350.851901
where:
bonds (distance) C4'-P energy: -112.228
bonds (distance) P-C4' energy: -98.948
flat angles C4'-P-C4' energy: -80.395
flat angles P-C4'-P energy: -48.613
tors. eta vs tors. theta energy: -10.668
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: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -676.242461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.242461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.242461 (E_RNA)
where:
Base-Base interactions energy: -348.875
where: short stacking energy: -196.293
Base-Backbone interact. energy: -1.753
local terms energy: -325.614511
where:
bonds (distance) C4'-P energy: -101.871
bonds (distance) P-C4' energy: -75.504
flat angles C4'-P-C4' energy: -92.364
flat angles P-C4'-P energy: -53.472
tors. eta vs tors. theta energy: -2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -2111.520551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.520551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.520551 (E_RNA)
where:
Base-Base interactions energy: -1473.379
where: short stacking energy: -612.637
Base-Backbone interact. energy: -3.590
local terms energy: -634.552186
where:
bonds (distance) C4'-P energy: -122.868
bonds (distance) P-C4' energy: -110.259
flat angles C4'-P-C4' energy: -134.473
flat angles P-C4'-P energy: -90.750
tors. eta vs tors. theta energy: -176.202
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: 2, replica: 6
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -2028.804314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2028.804314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2028.804314 (E_RNA)
where:
Base-Base interactions energy: -1419.937
where: short stacking energy: -600.012
Base-Backbone interact. energy: -3.040
local terms energy: -605.827273
where:
bonds (distance) C4'-P energy: -100.584
bonds (distance) P-C4' energy: -111.958
flat angles C4'-P-C4' energy: -137.581
flat angles P-C4'-P energy: -79.600
tors. eta vs tors. theta energy: -176.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1956.935865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.935865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.935865 (E_RNA)
where:
Base-Base interactions energy: -1351.811
where: short stacking energy: -545.844
Base-Backbone interact. energy: -1.138
local terms energy: -603.986835
where:
bonds (distance) C4'-P energy: -105.531
bonds (distance) P-C4' energy: -103.062
flat angles C4'-P-C4' energy: -130.012
flat angles P-C4'-P energy: -91.664
tors. eta vs tors. theta energy: -173.719
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: 4, replica: 5
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1817.593719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.593719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.593719 (E_RNA)
where:
Base-Base interactions energy: -1223.129
where: short stacking energy: -541.460
Base-Backbone interact. energy: -2.982
local terms energy: -591.482011
where:
bonds (distance) C4'-P energy: -104.447
bonds (distance) P-C4' energy: -114.075
flat angles C4'-P-C4' energy: -122.365
flat angles P-C4'-P energy: -89.435
tors. eta vs tors. theta energy: -161.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1725.638877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.638877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.638877 (E_RNA)
where:
Base-Base interactions energy: -1191.649
where: short stacking energy: -509.325
Base-Backbone interact. energy: -0.539
local terms energy: -533.450479
where:
bonds (distance) C4'-P energy: -97.404
bonds (distance) P-C4' energy: -97.334
flat angles C4'-P-C4' energy: -117.645
flat angles P-C4'-P energy: -80.275
tors. eta vs tors. theta energy: -140.793
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: 8
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1695.012972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.012972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.012972 (E_RNA)
where:
Base-Base interactions energy: -1145.377
where: short stacking energy: -494.683
Base-Backbone interact. energy: -2.189
local terms energy: -547.446633
where:
bonds (distance) C4'-P energy: -102.441
bonds (distance) P-C4' energy: -102.999
flat angles C4'-P-C4' energy: -117.636
flat angles P-C4'-P energy: -78.160
tors. eta vs tors. theta energy: -146.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1297.391418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.391418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.391418 (E_RNA)
where:
Base-Base interactions energy: -831.343
where: short stacking energy: -364.178
Base-Backbone interact. energy: -2.215
local terms energy: -463.832897
where:
bonds (distance) C4'-P energy: -90.914
bonds (distance) P-C4' energy: -106.976
flat angles C4'-P-C4' energy: -103.686
flat angles P-C4'-P energy: -73.693
tors. eta vs tors. theta energy: -88.564
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: 4
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1119.823335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.823335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.823335 (E_RNA)
where:
Base-Base interactions energy: -742.512
where: short stacking energy: -313.597
Base-Backbone interact. energy: 0.111
local terms energy: -377.421873
where:
bonds (distance) C4'-P energy: -79.583
bonds (distance) P-C4' energy: -82.293
flat angles C4'-P-C4' energy: -95.493
flat angles P-C4'-P energy: -61.300
tors. eta vs tors. theta energy: -58.753
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: 9, replica: 2
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -758.881523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.881523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.881523 (E_RNA)
where:
Base-Base interactions energy: -399.150
where: short stacking energy: -208.777
Base-Backbone interact. energy: -0.600
local terms energy: -359.131389
where:
bonds (distance) C4'-P energy: -95.789
bonds (distance) P-C4' energy: -103.783
flat angles C4'-P-C4' energy: -98.650
flat angles P-C4'-P energy: -35.695
tors. eta vs tors. theta energy: -25.215
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: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -675.971318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.971318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.971318 (E_RNA)
where:
Base-Base interactions energy: -342.748
where: short stacking energy: -179.604
Base-Backbone interact. energy: -2.707
local terms energy: -330.516576
where:
bonds (distance) C4'-P energy: -111.639
bonds (distance) P-C4' energy: -102.106
flat angles C4'-P-C4' energy: -76.708
flat angles P-C4'-P energy: -39.914
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: 1, replica: 9
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -2095.416889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2095.416889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2095.416889 (E_RNA)
where:
Base-Base interactions energy: -1469.383
where: short stacking energy: -622.169
Base-Backbone interact. energy: 3.720
local terms energy: -629.754347
where:
bonds (distance) C4'-P energy: -113.573
bonds (distance) P-C4' energy: -121.059
flat angles C4'-P-C4' energy: -133.389
flat angles P-C4'-P energy: -85.505
tors. eta vs tors. theta energy: -176.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -2008.024373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.024373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.024373 (E_RNA)
where:
Base-Base interactions energy: -1383.008
where: short stacking energy: -611.517
Base-Backbone interact. energy: -1.961
local terms energy: -623.055964
where:
bonds (distance) C4'-P energy: -107.959
bonds (distance) P-C4' energy: -112.468
flat angles C4'-P-C4' energy: -130.839
flat angles P-C4'-P energy: -89.883
tors. eta vs tors. theta energy: -181.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1984.933577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.933577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.933577 (E_RNA)
where:
Base-Base interactions energy: -1373.637
where: short stacking energy: -572.065
Base-Backbone interact. energy: -3.621
local terms energy: -607.675286
where:
bonds (distance) C4'-P energy: -109.476
bonds (distance) P-C4' energy: -111.198
flat angles C4'-P-C4' energy: -130.252
flat angles P-C4'-P energy: -90.296
tors. eta vs tors. theta energy: -166.453
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: 5
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1770.906741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.906741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.906741 (E_RNA)
where:
Base-Base interactions energy: -1198.907
where: short stacking energy: -526.335
Base-Backbone interact. energy: -1.731
local terms energy: -570.269143
where:
bonds (distance) C4'-P energy: -101.705
bonds (distance) P-C4' energy: -107.836
flat angles C4'-P-C4' energy: -117.298
flat angles P-C4'-P energy: -72.156
tors. eta vs tors. theta energy: -171.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1738.378080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.378080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.378080 (E_RNA)
where:
Base-Base interactions energy: -1174.408
where: short stacking energy: -506.136
Base-Backbone interact. energy: -3.361
local terms energy: -560.608997
where:
bonds (distance) C4'-P energy: -106.607
bonds (distance) P-C4' energy: -111.915
flat angles C4'-P-C4' energy: -119.157
flat angles P-C4'-P energy: -82.762
tors. eta vs tors. theta energy: -140.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1678.864839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.864839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.864839 (E_RNA)
where:
Base-Base interactions energy: -1134.124
where: short stacking energy: -498.828
Base-Backbone interact. energy: -0.047
local terms energy: -544.694729
where:
bonds (distance) C4'-P energy: -99.789
bonds (distance) P-C4' energy: -105.262
flat angles C4'-P-C4' energy: -117.990
flat angles P-C4'-P energy: -75.704
tors. eta vs tors. theta energy: -145.950
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: 7, replica: 10
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1314.495606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.495606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.495606 (E_RNA)
where:
Base-Base interactions energy: -863.266
where: short stacking energy: -377.110
Base-Backbone interact. energy: -1.164
local terms energy: -450.066064
where:
bonds (distance) C4'-P energy: -103.309
bonds (distance) P-C4' energy: -91.533
flat angles C4'-P-C4' energy: -101.906
flat angles P-C4'-P energy: -65.201
tors. eta vs tors. theta energy: -88.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1125.892912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.892912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.892912 (E_RNA)
where:
Base-Base interactions energy: -726.080
where: short stacking energy: -310.123
Base-Backbone interact. energy: -2.164
local terms energy: -397.648863
where:
bonds (distance) C4'-P energy: -95.926
bonds (distance) P-C4' energy: -71.838
flat angles C4'-P-C4' energy: -95.783
flat angles P-C4'-P energy: -67.620
tors. eta vs tors. theta energy: -66.481
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: 9, replica: 2
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -753.761920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.761920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.761920 (E_RNA)
where:
Base-Base interactions energy: -433.326
where: short stacking energy: -254.070
Base-Backbone interact. energy: -5.033
local terms energy: -315.402517
where:
bonds (distance) C4'-P energy: -90.564
bonds (distance) P-C4' energy: -83.376
flat angles C4'-P-C4' energy: -76.205
flat angles P-C4'-P energy: -45.111
tors. eta vs tors. theta energy: -20.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -597.827461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.827461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.827461 (E_RNA)
where:
Base-Base interactions energy: -266.492
where: short stacking energy: -159.496
Base-Backbone interact. energy: 0.469
local terms energy: -331.804478
where:
bonds (distance) C4'-P energy: -93.556
bonds (distance) P-C4' energy: -102.147
flat angles C4'-P-C4' energy: -77.610
flat angles P-C4'-P energy: -48.667
tors. eta vs tors. theta energy: -9.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -2138.192879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2138.192879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2138.192879 (E_RNA)
where:
Base-Base interactions energy: -1490.848
where: short stacking energy: -612.110
Base-Backbone interact. energy: 3.497
local terms energy: -650.841780
where:
bonds (distance) C4'-P energy: -117.018
bonds (distance) P-C4' energy: -118.367
flat angles C4'-P-C4' energy: -139.952
flat angles P-C4'-P energy: -97.814
tors. eta vs tors. theta energy: -177.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -2002.889408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2002.889408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2002.889408 (E_RNA)
where:
Base-Base interactions energy: -1382.933
where: short stacking energy: -581.595
Base-Backbone interact. energy: 1.766
local terms energy: -621.722802
where:
bonds (distance) C4'-P energy: -117.646
bonds (distance) P-C4' energy: -127.145
flat angles C4'-P-C4' energy: -121.945
flat angles P-C4'-P energy: -82.518
tors. eta vs tors. theta energy: -172.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1967.903011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.903011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.903011 (E_RNA)
where:
Base-Base interactions energy: -1387.413
where: short stacking energy: -587.003
Base-Backbone interact. energy: 3.590
local terms energy: -584.080003
where:
bonds (distance) C4'-P energy: -116.094
bonds (distance) P-C4' energy: -108.384
flat angles C4'-P-C4' energy: -128.125
flat angles P-C4'-P energy: -66.679
tors. eta vs tors. theta energy: -164.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1804.606834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.606834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.606834 (E_RNA)
where:
Base-Base interactions energy: -1226.072
where: short stacking energy: -535.108
Base-Backbone interact. energy: -1.964
local terms energy: -576.570823
where:
bonds (distance) C4'-P energy: -114.703
bonds (distance) P-C4' energy: -111.503
flat angles C4'-P-C4' energy: -119.524
flat angles P-C4'-P energy: -86.143
tors. eta vs tors. theta energy: -144.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1716.698116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.698116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.698116 (E_RNA)
where:
Base-Base interactions energy: -1148.419
where: short stacking energy: -479.633
Base-Backbone interact. energy: -0.768
local terms energy: -567.511623
where:
bonds (distance) C4'-P energy: -112.959
bonds (distance) P-C4' energy: -105.370
flat angles C4'-P-C4' energy: -130.000
flat angles P-C4'-P energy: -75.377
tors. eta vs tors. theta energy: -143.806
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: 6, replica: 8
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1675.177636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.177636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.177636 (E_RNA)
where:
Base-Base interactions energy: -1131.655
where: short stacking energy: -511.468
Base-Backbone interact. energy: -0.947
local terms energy: -542.574896
where:
bonds (distance) C4'-P energy: -100.622
bonds (distance) P-C4' energy: -106.183
flat angles C4'-P-C4' energy: -117.495
flat angles P-C4'-P energy: -77.045
tors. eta vs tors. theta energy: -141.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1340.958537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.958537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.958537 (E_RNA)
where:
Base-Base interactions energy: -881.215
where: short stacking energy: -409.437
Base-Backbone interact. energy: -3.044
local terms energy: -456.699884
where:
bonds (distance) C4'-P energy: -85.106
bonds (distance) P-C4' energy: -94.149
flat angles C4'-P-C4' energy: -124.666
flat angles P-C4'-P energy: -61.548
tors. eta vs tors. theta energy: -91.231
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: 455
Temperature: 1.250000
Total energy: -1179.904910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.904910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.904910 (E_RNA)
where:
Base-Base interactions energy: -768.878
where: short stacking energy: -313.339
Base-Backbone interact. energy: -0.355
local terms energy: -410.671892
where:
bonds (distance) C4'-P energy: -112.149
bonds (distance) P-C4' energy: -97.984
flat angles C4'-P-C4' energy: -97.483
flat angles P-C4'-P energy: -47.826
tors. eta vs tors. theta energy: -55.230
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: 2
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -822.405307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.405307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.405307 (E_RNA)
where:
Base-Base interactions energy: -465.293
where: short stacking energy: -240.903
Base-Backbone interact. energy: 3.163
local terms energy: -360.274450
where:
bonds (distance) C4'-P energy: -95.584
bonds (distance) P-C4' energy: -99.135
flat angles C4'-P-C4' energy: -88.007
flat angles P-C4'-P energy: -46.136
tors. eta vs tors. theta energy: -31.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -582.862100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.862100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.862100 (E_RNA)
where:
Base-Base interactions energy: -268.228
where: short stacking energy: -163.313
Base-Backbone interact. energy: -0.302
local terms energy: -314.332193
where:
bonds (distance) C4'-P energy: -90.889
bonds (distance) P-C4' energy: -95.813
flat angles C4'-P-C4' energy: -74.475
flat angles P-C4'-P energy: -59.068
tors. eta vs tors. theta energy: 5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -2067.159044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.159044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.159044 (E_RNA)
where:
Base-Base interactions energy: -1439.520
where: short stacking energy: -606.944
Base-Backbone interact. energy: -2.165
local terms energy: -625.473968
where:
bonds (distance) C4'-P energy: -107.562
bonds (distance) P-C4' energy: -129.287
flat angles C4'-P-C4' energy: -124.718
flat angles P-C4'-P energy: -83.701
tors. eta vs tors. theta energy: -180.207
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: 9
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -2063.766619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2063.766619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2063.766619 (E_RNA)
where:
Base-Base interactions energy: -1438.943
where: short stacking energy: -592.917
Base-Backbone interact. energy: -2.129
local terms energy: -622.694321
where:
bonds (distance) C4'-P energy: -103.007
bonds (distance) P-C4' energy: -113.804
flat angles C4'-P-C4' energy: -142.306
flat angles P-C4'-P energy: -93.209
tors. eta vs tors. theta energy: -170.369
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: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1963.012565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.012565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.012565 (E_RNA)
where:
Base-Base interactions energy: -1357.589
where: short stacking energy: -546.549
Base-Backbone interact. energy: -2.539
local terms energy: -602.883829
where:
bonds (distance) C4'-P energy: -120.397
bonds (distance) P-C4' energy: -110.432
flat angles C4'-P-C4' energy: -121.249
flat angles P-C4'-P energy: -86.327
tors. eta vs tors. theta energy: -164.478
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: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -1742.132949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.132949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.132949 (E_RNA)
where:
Base-Base interactions energy: -1193.647
where: short stacking energy: -509.638
Base-Backbone interact. energy: 1.332
local terms energy: -549.818007
where:
bonds (distance) C4'-P energy: -98.385
bonds (distance) P-C4' energy: -93.435
flat angles C4'-P-C4' energy: -119.446
flat angles P-C4'-P energy: -90.207
tors. eta vs tors. theta energy: -148.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1730.330032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.330032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.330032 (E_RNA)
where:
Base-Base interactions energy: -1178.200
where: short stacking energy: -511.225
Base-Backbone interact. energy: -1.074
local terms energy: -551.056139
where:
bonds (distance) C4'-P energy: -99.825
bonds (distance) P-C4' energy: -105.351
flat angles C4'-P-C4' energy: -116.162
flat angles P-C4'-P energy: -73.835
tors. eta vs tors. theta energy: -155.885
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: 5
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1694.038512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.038512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.038512 (E_RNA)
where:
Base-Base interactions energy: -1137.551
where: short stacking energy: -499.736
Base-Backbone interact. energy: 0.454
local terms energy: -556.941158
where:
bonds (distance) C4'-P energy: -106.196
bonds (distance) P-C4' energy: -109.697
flat angles C4'-P-C4' energy: -118.379
flat angles P-C4'-P energy: -73.663
tors. eta vs tors. theta energy: -149.007
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: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1392.107307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.107307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.107307 (E_RNA)
where:
Base-Base interactions energy: -901.042
where: short stacking energy: -423.156
Base-Backbone interact. energy: -0.393
local terms energy: -490.672340
where:
bonds (distance) C4'-P energy: -113.083
bonds (distance) P-C4' energy: -106.546
flat angles C4'-P-C4' energy: -111.136
flat angles P-C4'-P energy: -50.944
tors. eta vs tors. theta energy: -108.962
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: 456
Temperature: 1.250000
Total energy: -1160.322994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.322994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.322994 (E_RNA)
where:
Base-Base interactions energy: -727.063
where: short stacking energy: -319.261
Base-Backbone interact. energy: -3.764
local terms energy: -429.495776
where:
bonds (distance) C4'-P energy: -95.745
bonds (distance) P-C4' energy: -108.095
flat angles C4'-P-C4' energy: -107.478
flat angles P-C4'-P energy: -50.392
tors. eta vs tors. theta energy: -67.786
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: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -766.791140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.791140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.791140 (E_RNA)
where:
Base-Base interactions energy: -401.704
where: short stacking energy: -227.693
Base-Backbone interact. energy: 0.813
local terms energy: -365.900687
where:
bonds (distance) C4'-P energy: -99.009
bonds (distance) P-C4' energy: -105.160
flat angles C4'-P-C4' energy: -78.444
flat angles P-C4'-P energy: -56.622
tors. eta vs tors. theta energy: -26.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -552.926706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.926706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.926706 (E_RNA)
where:
Base-Base interactions energy: -247.664
where: short stacking energy: -156.183
Base-Backbone interact. energy: -2.377
local terms energy: -302.886023
where:
bonds (distance) C4'-P energy: -104.793
bonds (distance) P-C4' energy: -77.287
flat angles C4'-P-C4' energy: -73.338
flat angles P-C4'-P energy: -51.556
tors. eta vs tors. theta energy: 4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -2057.114955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2057.114955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2057.114955 (E_RNA)
where:
Base-Base interactions energy: -1427.081
where: short stacking energy: -616.827
Base-Backbone interact. energy: -3.786
local terms energy: -626.247738
where:
bonds (distance) C4'-P energy: -115.278
bonds (distance) P-C4' energy: -114.530
flat angles C4'-P-C4' energy: -137.408
flat angles P-C4'-P energy: -78.966
tors. eta vs tors. theta energy: -180.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -2070.721683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.721683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.721683 (E_RNA)
where:
Base-Base interactions energy: -1443.345
where: short stacking energy: -594.619
Base-Backbone interact. energy: -0.836
local terms energy: -626.540856
where:
bonds (distance) C4'-P energy: -110.975
bonds (distance) P-C4' energy: -114.627
flat angles C4'-P-C4' energy: -130.890
flat angles P-C4'-P energy: -93.140
tors. eta vs tors. theta energy: -176.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1949.944347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.944347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.944347 (E_RNA)
where:
Base-Base interactions energy: -1343.319
where: short stacking energy: -556.002
Base-Backbone interact. energy: -4.289
local terms energy: -602.336145
where:
bonds (distance) C4'-P energy: -112.495
bonds (distance) P-C4' energy: -103.513
flat angles C4'-P-C4' energy: -133.328
flat angles P-C4'-P energy: -84.176
tors. eta vs tors. theta energy: -168.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1794.436792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.436792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.436792 (E_RNA)
where:
Base-Base interactions energy: -1243.116
where: short stacking energy: -509.296
Base-Backbone interact. energy: -0.013
local terms energy: -551.307854
where:
bonds (distance) C4'-P energy: -108.508
bonds (distance) P-C4' energy: -113.211
flat angles C4'-P-C4' energy: -115.182
flat angles P-C4'-P energy: -74.653
tors. eta vs tors. theta energy: -139.753
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: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1748.467205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.467205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.467205 (E_RNA)
where:
Base-Base interactions energy: -1199.895
where: short stacking energy: -494.974
Base-Backbone interact. energy: -1.420
local terms energy: -547.151571
where:
bonds (distance) C4'-P energy: -86.772
bonds (distance) P-C4' energy: -108.912
flat angles C4'-P-C4' energy: -123.752
flat angles P-C4'-P energy: -71.860
tors. eta vs tors. theta energy: -155.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1609.006717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.006717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.006717 (E_RNA)
where:
Base-Base interactions energy: -1079.081
where: short stacking energy: -472.935
Base-Backbone interact. energy: -1.136
local terms energy: -528.790444
where:
bonds (distance) C4'-P energy: -103.295
bonds (distance) P-C4' energy: -80.945
flat angles C4'-P-C4' energy: -121.505
flat angles P-C4'-P energy: -80.905
tors. eta vs tors. theta energy: -142.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1357.477720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.477720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.477720 (E_RNA)
where:
Base-Base interactions energy: -878.129
where: short stacking energy: -398.414
Base-Backbone interact. energy: -0.731
local terms energy: -478.618177
where:
bonds (distance) C4'-P energy: -101.328
bonds (distance) P-C4' energy: -107.135
flat angles C4'-P-C4' energy: -103.823
flat angles P-C4'-P energy: -59.481
tors. eta vs tors. theta energy: -106.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1118.562582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.562582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.562582 (E_RNA)
where:
Base-Base interactions energy: -692.693
where: short stacking energy: -311.226
Base-Backbone interact. energy: -2.812
local terms energy: -423.057444
where:
bonds (distance) C4'-P energy: -95.109
bonds (distance) P-C4' energy: -99.093
flat angles C4'-P-C4' energy: -101.179
flat angles P-C4'-P energy: -60.430
tors. eta vs tors. theta energy: -67.247
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: 2
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -729.339215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.339215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.339215 (E_RNA)
where:
Base-Base interactions energy: -383.749
where: short stacking energy: -193.067
Base-Backbone interact. energy: -1.545
local terms energy: -344.045163
where:
bonds (distance) C4'-P energy: -96.681
bonds (distance) P-C4' energy: -77.045
flat angles C4'-P-C4' energy: -99.017
flat angles P-C4'-P energy: -49.381
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -585.016281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.016281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.016281 (E_RNA)
where:
Base-Base interactions energy: -255.668
where: short stacking energy: -146.731
Base-Backbone interact. energy: -1.747
local terms energy: -327.601435
where:
bonds (distance) C4'-P energy: -79.565
bonds (distance) P-C4' energy: -93.893
flat angles C4'-P-C4' energy: -94.073
flat angles P-C4'-P energy: -63.293
tors. eta vs tors. theta energy: 3.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -2065.506779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2065.506779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2065.506779 (E_RNA)
where:
Base-Base interactions energy: -1421.325
where: short stacking energy: -614.785
Base-Backbone interact. energy: -3.424
local terms energy: -640.757939
where:
bonds (distance) C4'-P energy: -115.461
bonds (distance) P-C4' energy: -133.195
flat angles C4'-P-C4' energy: -134.678
flat angles P-C4'-P energy: -83.556
tors. eta vs tors. theta energy: -173.868
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: 9
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -2050.461505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2050.461505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2050.461505 (E_RNA)
where:
Base-Base interactions energy: -1425.420
where: short stacking energy: -583.369
Base-Backbone interact. energy: -1.139
local terms energy: -623.902109
where:
bonds (distance) C4'-P energy: -111.248
bonds (distance) P-C4' energy: -105.248
flat angles C4'-P-C4' energy: -136.475
flat angles P-C4'-P energy: -103.085
tors. eta vs tors. theta energy: -167.845
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: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1944.313740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.313740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.313740 (E_RNA)
where:
Base-Base interactions energy: -1351.828
where: short stacking energy: -573.816
Base-Backbone interact. energy: -2.544
local terms energy: -589.941878
where:
bonds (distance) C4'-P energy: -98.792
bonds (distance) P-C4' energy: -113.895
flat angles C4'-P-C4' energy: -127.046
flat angles P-C4'-P energy: -88.363
tors. eta vs tors. theta energy: -161.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1773.260087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.260087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.260087 (E_RNA)
where:
Base-Base interactions energy: -1205.416
where: short stacking energy: -499.637
Base-Backbone interact. energy: 4.184
local terms energy: -572.027762
where:
bonds (distance) C4'-P energy: -108.571
bonds (distance) P-C4' energy: -110.203
flat angles C4'-P-C4' energy: -123.420
flat angles P-C4'-P energy: -82.572
tors. eta vs tors. theta energy: -147.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1690.909592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.909592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.909592 (E_RNA)
where:
Base-Base interactions energy: -1114.992
where: short stacking energy: -472.359
Base-Backbone interact. energy: -2.304
local terms energy: -573.613207
where:
bonds (distance) C4'-P energy: -98.173
bonds (distance) P-C4' energy: -116.513
flat angles C4'-P-C4' energy: -131.942
flat angles P-C4'-P energy: -82.735
tors. eta vs tors. theta energy: -144.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1636.216215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.216215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.216215 (E_RNA)
where:
Base-Base interactions energy: -1123.875
where: short stacking energy: -500.946
Base-Backbone interact. energy: 0.783
local terms energy: -513.123878
where:
bonds (distance) C4'-P energy: -87.290
bonds (distance) P-C4' energy: -98.995
flat angles C4'-P-C4' energy: -114.577
flat angles P-C4'-P energy: -80.862
tors. eta vs tors. theta energy: -131.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1428.948577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.948577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.948577 (E_RNA)
where:
Base-Base interactions energy: -931.889
where: short stacking energy: -416.872
Base-Backbone interact. energy: -0.324
local terms energy: -496.736058
where:
bonds (distance) C4'-P energy: -97.990
bonds (distance) P-C4' energy: -102.284
flat angles C4'-P-C4' energy: -112.713
flat angles P-C4'-P energy: -72.825
tors. eta vs tors. theta energy: -110.924
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: 458
Temperature: 1.250000
Total energy: -1159.523860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.523860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.523860 (E_RNA)
where:
Base-Base interactions energy: -744.019
where: short stacking energy: -326.283
Base-Backbone interact. energy: -2.738
local terms energy: -412.767573
where:
bonds (distance) C4'-P energy: -69.783
bonds (distance) P-C4' energy: -93.777
flat angles C4'-P-C4' energy: -93.691
flat angles P-C4'-P energy: -74.682
tors. eta vs tors. theta energy: -80.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -674.060442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.060442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.060442 (E_RNA)
where:
Base-Base interactions energy: -348.835
where: short stacking energy: -212.211
Base-Backbone interact. energy: -0.695
local terms energy: -324.530162
where:
bonds (distance) C4'-P energy: -91.369
bonds (distance) P-C4' energy: -101.514
flat angles C4'-P-C4' energy: -88.567
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -14.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -580.331154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.331154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.331154 (E_RNA)
where:
Base-Base interactions energy: -282.516
where: short stacking energy: -166.585
Base-Backbone interact. energy: 1.882
local terms energy: -299.696170
where:
bonds (distance) C4'-P energy: -99.565
bonds (distance) P-C4' energy: -96.296
flat angles C4'-P-C4' energy: -85.448
flat angles P-C4'-P energy: -39.238
tors. eta vs tors. theta energy: 20.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -2025.032821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.032821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.032821 (E_RNA)
where:
Base-Base interactions energy: -1397.269
where: short stacking energy: -616.570
Base-Backbone interact. energy: -0.127
local terms energy: -627.635921
where:
bonds (distance) C4'-P energy: -126.337
bonds (distance) P-C4' energy: -112.924
flat angles C4'-P-C4' energy: -127.460
flat angles P-C4'-P energy: -93.815
tors. eta vs tors. theta energy: -167.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -2030.137085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.137085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.137085 (E_RNA)
where:
Base-Base interactions energy: -1442.059
where: short stacking energy: -599.330
Base-Backbone interact. energy: 1.451
local terms energy: -589.528748
where:
bonds (distance) C4'-P energy: -98.776
bonds (distance) P-C4' energy: -106.764
flat angles C4'-P-C4' energy: -129.365
flat angles P-C4'-P energy: -88.677
tors. eta vs tors. theta energy: -165.947
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: 7
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1936.049141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.049141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.049141 (E_RNA)
where:
Base-Base interactions energy: -1352.248
where: short stacking energy: -547.987
Base-Backbone interact. energy: -1.239
local terms energy: -582.562555
where:
bonds (distance) C4'-P energy: -117.405
bonds (distance) P-C4' energy: -118.819
flat angles C4'-P-C4' energy: -111.151
flat angles P-C4'-P energy: -78.902
tors. eta vs tors. theta energy: -156.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1850.417374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.417374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.417374 (E_RNA)
where:
Base-Base interactions energy: -1284.459
where: short stacking energy: -551.058
Base-Backbone interact. energy: -2.601
local terms energy: -563.357644
where:
bonds (distance) C4'-P energy: -112.876
bonds (distance) P-C4' energy: -88.540
flat angles C4'-P-C4' energy: -133.682
flat angles P-C4'-P energy: -77.408
tors. eta vs tors. theta energy: -150.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1772.490422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.490422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.490422 (E_RNA)
where:
Base-Base interactions energy: -1235.764
where: short stacking energy: -523.686
Base-Backbone interact. energy: 0.937
local terms energy: -537.663365
where:
bonds (distance) C4'-P energy: -79.403
bonds (distance) P-C4' energy: -101.021
flat angles C4'-P-C4' energy: -120.866
flat angles P-C4'-P energy: -83.752
tors. eta vs tors. theta energy: -152.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1600.356905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.356905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.356905 (E_RNA)
where:
Base-Base interactions energy: -1087.606
where: short stacking energy: -466.000
Base-Backbone interact. energy: -1.663
local terms energy: -511.088033
where:
bonds (distance) C4'-P energy: -111.901
bonds (distance) P-C4' energy: -92.515
flat angles C4'-P-C4' energy: -110.562
flat angles P-C4'-P energy: -72.783
tors. eta vs tors. theta energy: -123.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1431.279533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.279533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.279533 (E_RNA)
where:
Base-Base interactions energy: -934.142
where: short stacking energy: -404.251
Base-Backbone interact. energy: -2.303
local terms energy: -494.834971
where:
bonds (distance) C4'-P energy: -102.364
bonds (distance) P-C4' energy: -105.452
flat angles C4'-P-C4' energy: -111.633
flat angles P-C4'-P energy: -72.360
tors. eta vs tors. theta energy: -103.025
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: 459
Temperature: 1.250000
Total energy: -1171.267071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.267071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.267071 (E_RNA)
where:
Base-Base interactions energy: -726.463
where: short stacking energy: -347.578
Base-Backbone interact. energy: 3.860
local terms energy: -448.663592
where:
bonds (distance) C4'-P energy: -100.477
bonds (distance) P-C4' energy: -98.978
flat angles C4'-P-C4' energy: -107.995
flat angles P-C4'-P energy: -59.136
tors. eta vs tors. theta energy: -82.078
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: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -743.939817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.939817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.939817 (E_RNA)
where:
Base-Base interactions energy: -397.704
where: short stacking energy: -200.615
Base-Backbone interact. energy: 2.293
local terms energy: -348.529308
where:
bonds (distance) C4'-P energy: -100.031
bonds (distance) P-C4' energy: -102.455
flat angles C4'-P-C4' energy: -84.828
flat angles P-C4'-P energy: -52.343
tors. eta vs tors. theta energy: -8.872
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: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -560.708464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.708464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.708464 (E_RNA)
where:
Base-Base interactions energy: -247.682
where: short stacking energy: -144.430
Base-Backbone interact. energy: 6.149
local terms energy: -319.174689
where:
bonds (distance) C4'-P energy: -90.013
bonds (distance) P-C4' energy: -98.410
flat angles C4'-P-C4' energy: -96.829
flat angles P-C4'-P energy: -40.172
tors. eta vs tors. theta energy: 6.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -2085.472950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.472950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.472950 (E_RNA)
where:
Base-Base interactions energy: -1462.912
where: short stacking energy: -603.280
Base-Backbone interact. energy: -0.146
local terms energy: -622.414206
where:
bonds (distance) C4'-P energy: -114.324
bonds (distance) P-C4' energy: -115.939
flat angles C4'-P-C4' energy: -137.797
flat angles P-C4'-P energy: -81.372
tors. eta vs tors. theta energy: -172.982
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: 6
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1981.366298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.366298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.366298 (E_RNA)
where:
Base-Base interactions energy: -1362.306
where: short stacking energy: -597.619
Base-Backbone interact. energy: -3.722
local terms energy: -615.337863
where:
bonds (distance) C4'-P energy: -98.036
bonds (distance) P-C4' energy: -122.925
flat angles C4'-P-C4' energy: -133.286
flat angles P-C4'-P energy: -87.403
tors. eta vs tors. theta energy: -173.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1948.748577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.748577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.748577 (E_RNA)
where:
Base-Base interactions energy: -1351.813
where: short stacking energy: -565.131
Base-Backbone interact. energy: -3.218
local terms energy: -593.718395
where:
bonds (distance) C4'-P energy: -106.015
bonds (distance) P-C4' energy: -115.824
flat angles C4'-P-C4' energy: -118.120
flat angles P-C4'-P energy: -82.476
tors. eta vs tors. theta energy: -171.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1834.022973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.022973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.022973 (E_RNA)
where:
Base-Base interactions energy: -1249.926
where: short stacking energy: -526.445
Base-Backbone interact. energy: -0.644
local terms energy: -583.452999
where:
bonds (distance) C4'-P energy: -112.459
bonds (distance) P-C4' energy: -103.037
flat angles C4'-P-C4' energy: -123.410
flat angles P-C4'-P energy: -78.903
tors. eta vs tors. theta energy: -165.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1736.593631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.593631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.593631 (E_RNA)
where:
Base-Base interactions energy: -1198.647
where: short stacking energy: -492.743
Base-Backbone interact. energy: -0.230
local terms energy: -537.716228
where:
bonds (distance) C4'-P energy: -107.382
bonds (distance) P-C4' energy: -102.922
flat angles C4'-P-C4' energy: -110.429
flat angles P-C4'-P energy: -84.445
tors. eta vs tors. theta energy: -132.538
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: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1700.567078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.567078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.567078 (E_RNA)
where:
Base-Base interactions energy: -1155.401
where: short stacking energy: -517.417
Base-Backbone interact. energy: -0.266
local terms energy: -544.899419
where:
bonds (distance) C4'-P energy: -85.625
bonds (distance) P-C4' energy: -104.903
flat angles C4'-P-C4' energy: -115.211
flat angles P-C4'-P energy: -86.372
tors. eta vs tors. theta energy: -152.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1397.414245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.414245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.414245 (E_RNA)
where:
Base-Base interactions energy: -940.530
where: short stacking energy: -383.066
Base-Backbone interact. energy: 0.372
local terms energy: -457.255499
where:
bonds (distance) C4'-P energy: -95.422
bonds (distance) P-C4' energy: -98.522
flat angles C4'-P-C4' energy: -102.840
flat angles P-C4'-P energy: -62.467
tors. eta vs tors. theta energy: -98.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1149.048959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.048959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.048959 (E_RNA)
where:
Base-Base interactions energy: -732.248
where: short stacking energy: -336.130
Base-Backbone interact. energy: -2.549
local terms energy: -414.252185
where:
bonds (distance) C4'-P energy: -76.953
bonds (distance) P-C4' energy: -103.458
flat angles C4'-P-C4' energy: -95.555
flat angles P-C4'-P energy: -53.884
tors. eta vs tors. theta energy: -84.402
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: 2
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -746.684742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.684742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.684742 (E_RNA)
where:
Base-Base interactions energy: -424.649
where: short stacking energy: -200.685
Base-Backbone interact. energy: 2.756
local terms energy: -324.791273
where:
bonds (distance) C4'-P energy: -91.605
bonds (distance) P-C4' energy: -109.325
flat angles C4'-P-C4' energy: -75.820
flat angles P-C4'-P energy: -45.562
tors. eta vs tors. theta energy: -2.478
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: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -600.715164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.715164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.715164 (E_RNA)
where:
Base-Base interactions energy: -304.183
where: short stacking energy: -208.247
Base-Backbone interact. energy: 6.509
local terms energy: -303.041583
where:
bonds (distance) C4'-P energy: -90.351
bonds (distance) P-C4' energy: -97.470
flat angles C4'-P-C4' energy: -71.651
flat angles P-C4'-P energy: -38.990
tors. eta vs tors. theta energy: -4.580
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: 461
Temperature: 0.900000
Total energy: -2099.994938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.994938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.994938 (E_RNA)
where:
Base-Base interactions energy: -1475.937
where: short stacking energy: -595.962
Base-Backbone interact. energy: -2.959
local terms energy: -621.098985
where:
bonds (distance) C4'-P energy: -107.554
bonds (distance) P-C4' energy: -113.405
flat angles C4'-P-C4' energy: -141.987
flat angles P-C4'-P energy: -88.632
tors. eta vs tors. theta energy: -169.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1976.975249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.975249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.975249 (E_RNA)
where:
Base-Base interactions energy: -1368.238
where: short stacking energy: -581.231
Base-Backbone interact. energy: -3.117
local terms energy: -605.619552
where:
bonds (distance) C4'-P energy: -107.576
bonds (distance) P-C4' energy: -113.107
flat angles C4'-P-C4' energy: -130.875
flat angles P-C4'-P energy: -86.128
tors. eta vs tors. theta energy: -167.934
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: 3, replica: 7
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -1947.863530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.863530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.863530 (E_RNA)
where:
Base-Base interactions energy: -1342.318
where: short stacking energy: -568.733
Base-Backbone interact. energy: -4.766
local terms energy: -600.779106
where:
bonds (distance) C4'-P energy: -113.692
bonds (distance) P-C4' energy: -112.804
flat angles C4'-P-C4' energy: -119.924
flat angles P-C4'-P energy: -85.595
tors. eta vs tors. theta energy: -168.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1813.923862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.923862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.923862 (E_RNA)
where:
Base-Base interactions energy: -1245.674
where: short stacking energy: -541.783
Base-Backbone interact. energy: -3.262
local terms energy: -564.988353
where:
bonds (distance) C4'-P energy: -95.487
bonds (distance) P-C4' energy: -97.094
flat angles C4'-P-C4' energy: -131.152
flat angles P-C4'-P energy: -70.758
tors. eta vs tors. theta energy: -170.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -1727.496626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.496626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.496626 (E_RNA)
where:
Base-Base interactions energy: -1182.812
where: short stacking energy: -518.437
Base-Backbone interact. energy: -3.158
local terms energy: -541.526666
where:
bonds (distance) C4'-P energy: -95.349
bonds (distance) P-C4' energy: -109.761
flat angles C4'-P-C4' energy: -111.879
flat angles P-C4'-P energy: -84.713
tors. eta vs tors. theta energy: -139.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1693.668965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.668965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.668965 (E_RNA)
where:
Base-Base interactions energy: -1170.476
where: short stacking energy: -521.027
Base-Backbone interact. energy: -0.013
local terms energy: -523.179811
where:
bonds (distance) C4'-P energy: -89.853
bonds (distance) P-C4' energy: -109.314
flat angles C4'-P-C4' energy: -105.105
flat angles P-C4'-P energy: -71.357
tors. eta vs tors. theta energy: -147.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1416.499901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.499901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.499901 (E_RNA)
where:
Base-Base interactions energy: -927.195
where: short stacking energy: -405.342
Base-Backbone interact. energy: -0.108
local terms energy: -489.196501
where:
bonds (distance) C4'-P energy: -112.423
bonds (distance) P-C4' energy: -108.432
flat angles C4'-P-C4' energy: -104.470
flat angles P-C4'-P energy: -65.566
tors. eta vs tors. theta energy: -98.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1085.961177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.961177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.961177 (E_RNA)
where:
Base-Base interactions energy: -668.435
where: short stacking energy: -295.596
Base-Backbone interact. energy: -1.595
local terms energy: -415.930882
where:
bonds (distance) C4'-P energy: -95.577
bonds (distance) P-C4' energy: -106.933
flat angles C4'-P-C4' energy: -95.649
flat angles P-C4'-P energy: -71.048
tors. eta vs tors. theta energy: -46.724
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: 2
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -718.754909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.754909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.754909 (E_RNA)
where:
Base-Base interactions energy: -382.122
where: short stacking energy: -203.147
Base-Backbone interact. energy: -1.363
local terms energy: -335.270226
where:
bonds (distance) C4'-P energy: -91.921
bonds (distance) P-C4' energy: -89.119
flat angles C4'-P-C4' energy: -77.031
flat angles P-C4'-P energy: -58.499
tors. eta vs tors. theta energy: -18.701
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: 10, replica: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -555.358318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.358318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.358318 (E_RNA)
where:
Base-Base interactions energy: -244.424
where: short stacking energy: -142.150
Base-Backbone interact. energy: 0.095
local terms energy: -311.028959
where:
bonds (distance) C4'-P energy: -91.039
bonds (distance) P-C4' energy: -92.650
flat angles C4'-P-C4' energy: -70.329
flat angles P-C4'-P energy: -56.483
tors. eta vs tors. theta energy: -0.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -2106.707003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.707003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.707003 (E_RNA)
where:
Base-Base interactions energy: -1464.168
where: short stacking energy: -607.481
Base-Backbone interact. energy: -1.142
local terms energy: -641.396940
where:
bonds (distance) C4'-P energy: -120.741
bonds (distance) P-C4' energy: -111.746
flat angles C4'-P-C4' energy: -134.481
flat angles P-C4'-P energy: -96.488
tors. eta vs tors. theta energy: -177.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1997.527756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.527756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.527756 (E_RNA)
where:
Base-Base interactions energy: -1391.635
where: short stacking energy: -592.602
Base-Backbone interact. energy: -3.282
local terms energy: -602.610803
where:
bonds (distance) C4'-P energy: -100.709
bonds (distance) P-C4' energy: -116.345
flat angles C4'-P-C4' energy: -125.708
flat angles P-C4'-P energy: -81.675
tors. eta vs tors. theta energy: -178.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1928.858994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.858994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.858994 (E_RNA)
where:
Base-Base interactions energy: -1308.374
where: short stacking energy: -568.981
Base-Backbone interact. energy: -1.812
local terms energy: -618.673490
where:
bonds (distance) C4'-P energy: -112.041
bonds (distance) P-C4' energy: -106.523
flat angles C4'-P-C4' energy: -134.844
flat angles P-C4'-P energy: -93.383
tors. eta vs tors. theta energy: -171.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1818.206990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.206990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.206990 (E_RNA)
where:
Base-Base interactions energy: -1234.977
where: short stacking energy: -533.678
Base-Backbone interact. energy: 1.935
local terms energy: -585.164996
where:
bonds (distance) C4'-P energy: -104.137
bonds (distance) P-C4' energy: -105.915
flat angles C4'-P-C4' energy: -133.996
flat angles P-C4'-P energy: -74.376
tors. eta vs tors. theta energy: -166.741
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: 5
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1699.210409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.210409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.210409 (E_RNA)
where:
Base-Base interactions energy: -1148.150
where: short stacking energy: -492.520
Base-Backbone interact. energy: 1.231
local terms energy: -552.290998
where:
bonds (distance) C4'-P energy: -105.441
bonds (distance) P-C4' energy: -99.149
flat angles C4'-P-C4' energy: -129.099
flat angles P-C4'-P energy: -67.935
tors. eta vs tors. theta energy: -150.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1718.132211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.132211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.132211 (E_RNA)
where:
Base-Base interactions energy: -1185.230
where: short stacking energy: -500.532
Base-Backbone interact. energy: -2.582
local terms energy: -530.320465
where:
bonds (distance) C4'-P energy: -104.909
bonds (distance) P-C4' energy: -102.300
flat angles C4'-P-C4' energy: -109.912
flat angles P-C4'-P energy: -63.285
tors. eta vs tors. theta energy: -149.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1339.774397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.774397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.774397 (E_RNA)
where:
Base-Base interactions energy: -872.048
where: short stacking energy: -391.259
Base-Backbone interact. energy: -1.691
local terms energy: -466.035524
where:
bonds (distance) C4'-P energy: -87.421
bonds (distance) P-C4' energy: -107.666
flat angles C4'-P-C4' energy: -109.990
flat angles P-C4'-P energy: -63.008
tors. eta vs tors. theta energy: -97.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1115.136683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.136683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.136683 (E_RNA)
where:
Base-Base interactions energy: -695.381
where: short stacking energy: -310.888
Base-Backbone interact. energy: 1.040
local terms energy: -420.795142
where:
bonds (distance) C4'-P energy: -99.322
bonds (distance) P-C4' energy: -97.491
flat angles C4'-P-C4' energy: -104.342
flat angles P-C4'-P energy: -61.398
tors. eta vs tors. theta energy: -58.242
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: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -688.889264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.889264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.889264 (E_RNA)
where:
Base-Base interactions energy: -334.622
where: short stacking energy: -201.844
Base-Backbone interact. energy: 0.410
local terms energy: -354.676572
where:
bonds (distance) C4'-P energy: -115.797
bonds (distance) P-C4' energy: -87.238
flat angles C4'-P-C4' energy: -90.490
flat angles P-C4'-P energy: -55.140
tors. eta vs tors. theta energy: -6.011
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: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -547.189090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.189090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.189090 (E_RNA)
where:
Base-Base interactions energy: -207.280
where: short stacking energy: -117.663
Base-Backbone interact. energy: -1.709
local terms energy: -338.200900
where:
bonds (distance) C4'-P energy: -102.905
bonds (distance) P-C4' energy: -95.754
flat angles C4'-P-C4' energy: -92.448
flat angles P-C4'-P energy: -50.517
tors. eta vs tors. theta energy: 3.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -2096.481422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.481422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.481422 (E_RNA)
where:
Base-Base interactions energy: -1464.054
where: short stacking energy: -597.424
Base-Backbone interact. energy: 2.650
local terms energy: -635.077013
where:
bonds (distance) C4'-P energy: -112.151
bonds (distance) P-C4' energy: -122.640
flat angles C4'-P-C4' energy: -136.624
flat angles P-C4'-P energy: -92.165
tors. eta vs tors. theta energy: -171.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1988.755065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.755065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.755065 (E_RNA)
where:
Base-Base interactions energy: -1362.220
where: short stacking energy: -578.064
Base-Backbone interact. energy: -0.653
local terms energy: -625.881802
where:
bonds (distance) C4'-P energy: -109.779
bonds (distance) P-C4' energy: -126.776
flat angles C4'-P-C4' energy: -131.050
flat angles P-C4'-P energy: -85.145
tors. eta vs tors. theta energy: -173.131
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: 7
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1898.505161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.505161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.505161 (E_RNA)
where:
Base-Base interactions energy: -1322.468
where: short stacking energy: -542.148
Base-Backbone interact. energy: 0.716
local terms energy: -576.753079
where:
bonds (distance) C4'-P energy: -112.104
bonds (distance) P-C4' energy: -102.438
flat angles C4'-P-C4' energy: -119.014
flat angles P-C4'-P energy: -84.249
tors. eta vs tors. theta energy: -158.948
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: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1832.376070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.376070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.376070 (E_RNA)
where:
Base-Base interactions energy: -1243.782
where: short stacking energy: -529.990
Base-Backbone interact. energy: 1.853
local terms energy: -590.447664
where:
bonds (distance) C4'-P energy: -108.924
bonds (distance) P-C4' energy: -104.625
flat angles C4'-P-C4' energy: -129.632
flat angles P-C4'-P energy: -80.975
tors. eta vs tors. theta energy: -166.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1701.288282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.288282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.288282 (E_RNA)
where:
Base-Base interactions energy: -1128.757
where: short stacking energy: -507.944
Base-Backbone interact. energy: -1.283
local terms energy: -571.249023
where:
bonds (distance) C4'-P energy: -94.046
bonds (distance) P-C4' energy: -102.569
flat angles C4'-P-C4' energy: -133.493
flat angles P-C4'-P energy: -84.945
tors. eta vs tors. theta energy: -156.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1696.952258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.952258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.952258 (E_RNA)
where:
Base-Base interactions energy: -1179.195
where: short stacking energy: -500.523
Base-Backbone interact. energy: -1.889
local terms energy: -515.868186
where:
bonds (distance) C4'-P energy: -96.949
bonds (distance) P-C4' energy: -102.213
flat angles C4'-P-C4' energy: -113.018
flat angles P-C4'-P energy: -67.651
tors. eta vs tors. theta energy: -136.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1369.997465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.997465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.997465 (E_RNA)
where:
Base-Base interactions energy: -891.434
where: short stacking energy: -390.214
Base-Backbone interact. energy: -2.014
local terms energy: -476.549137
where:
bonds (distance) C4'-P energy: -95.157
bonds (distance) P-C4' energy: -100.989
flat angles C4'-P-C4' energy: -110.226
flat angles P-C4'-P energy: -64.845
tors. eta vs tors. theta energy: -105.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -1088.642307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.642307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.642307 (E_RNA)
where:
Base-Base interactions energy: -673.634
where: short stacking energy: -308.591
Base-Backbone interact. energy: -1.144
local terms energy: -413.864008
where:
bonds (distance) C4'-P energy: -95.317
bonds (distance) P-C4' energy: -102.568
flat angles C4'-P-C4' energy: -86.009
flat angles P-C4'-P energy: -69.329
tors. eta vs tors. theta energy: -60.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -716.536520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.536520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.536520 (E_RNA)
where:
Base-Base interactions energy: -389.459
where: short stacking energy: -216.942
Base-Backbone interact. energy: 4.794
local terms energy: -331.872017
where:
bonds (distance) C4'-P energy: -88.037
bonds (distance) P-C4' energy: -93.577
flat angles C4'-P-C4' energy: -87.754
flat angles P-C4'-P energy: -40.201
tors. eta vs tors. theta energy: -22.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -511.267763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.267763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.267763 (E_RNA)
where:
Base-Base interactions energy: -212.352
where: short stacking energy: -130.527
Base-Backbone interact. energy: -2.921
local terms energy: -295.995052
where:
bonds (distance) C4'-P energy: -98.097
bonds (distance) P-C4' energy: -91.041
flat angles C4'-P-C4' energy: -78.199
flat angles P-C4'-P energy: -47.036
tors. eta vs tors. theta energy: 18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -2124.390926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2124.390926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2124.390926 (E_RNA)
where:
Base-Base interactions energy: -1476.240
where: short stacking energy: -595.024
Base-Backbone interact. energy: 0.271
local terms energy: -648.422177
where:
bonds (distance) C4'-P energy: -117.871
bonds (distance) P-C4' energy: -133.974
flat angles C4'-P-C4' energy: -131.322
flat angles P-C4'-P energy: -84.425
tors. eta vs tors. theta energy: -180.830
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: 6
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1997.300824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.300824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.300824 (E_RNA)
where:
Base-Base interactions energy: -1376.038
where: short stacking energy: -589.276
Base-Backbone interact. energy: -1.348
local terms energy: -619.914176
where:
bonds (distance) C4'-P energy: -114.591
bonds (distance) P-C4' energy: -115.999
flat angles C4'-P-C4' energy: -133.329
flat angles P-C4'-P energy: -78.206
tors. eta vs tors. theta energy: -177.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1942.321052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.321052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.321052 (E_RNA)
where:
Base-Base interactions energy: -1346.973
where: short stacking energy: -551.100
Base-Backbone interact. energy: -1.423
local terms energy: -593.924897
where:
bonds (distance) C4'-P energy: -98.769
bonds (distance) P-C4' energy: -110.056
flat angles C4'-P-C4' energy: -123.811
flat angles P-C4'-P energy: -96.335
tors. eta vs tors. theta energy: -164.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -1806.200905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.200905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.200905 (E_RNA)
where:
Base-Base interactions energy: -1260.174
where: short stacking energy: -529.387
Base-Backbone interact. energy: -5.437
local terms energy: -540.589558
where:
bonds (distance) C4'-P energy: -105.028
bonds (distance) P-C4' energy: -110.115
flat angles C4'-P-C4' energy: -106.713
flat angles P-C4'-P energy: -59.539
tors. eta vs tors. theta energy: -159.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1752.889504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.889504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.889504 (E_RNA)
where:
Base-Base interactions energy: -1197.636
where: short stacking energy: -506.614
Base-Backbone interact. energy: -1.768
local terms energy: -553.485692
where:
bonds (distance) C4'-P energy: -99.497
bonds (distance) P-C4' energy: -108.542
flat angles C4'-P-C4' energy: -117.808
flat angles P-C4'-P energy: -76.731
tors. eta vs tors. theta energy: -150.908
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: 6, replica: 5
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1717.410567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.410567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.410567 (E_RNA)
where:
Base-Base interactions energy: -1172.970
where: short stacking energy: -523.765
Base-Backbone interact. energy: -1.524
local terms energy: -542.916957
where:
bonds (distance) C4'-P energy: -106.179
bonds (distance) P-C4' energy: -105.297
flat angles C4'-P-C4' energy: -120.527
flat angles P-C4'-P energy: -66.411
tors. eta vs tors. theta energy: -144.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1392.296591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.296591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.296591 (E_RNA)
where:
Base-Base interactions energy: -916.817
where: short stacking energy: -395.077
Base-Backbone interact. energy: -3.531
local terms energy: -471.947759
where:
bonds (distance) C4'-P energy: -105.552
bonds (distance) P-C4' energy: -95.921
flat angles C4'-P-C4' energy: -102.539
flat angles P-C4'-P energy: -59.653
tors. eta vs tors. theta energy: -108.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1078.005902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.005902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.005902 (E_RNA)
where:
Base-Base interactions energy: -688.477
where: short stacking energy: -314.460
Base-Backbone interact. energy: 0.663
local terms energy: -390.191662
where:
bonds (distance) C4'-P energy: -99.309
bonds (distance) P-C4' energy: -102.571
flat angles C4'-P-C4' energy: -76.029
flat angles P-C4'-P energy: -53.987
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: 9, replica: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -699.350651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.350651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.350651 (E_RNA)
where:
Base-Base interactions energy: -357.463
where: short stacking energy: -221.108
Base-Backbone interact. energy: 2.712
local terms energy: -344.598729
where:
bonds (distance) C4'-P energy: -84.541
bonds (distance) P-C4' energy: -97.787
flat angles C4'-P-C4' energy: -79.742
flat angles P-C4'-P energy: -63.061
tors. eta vs tors. theta energy: -19.468
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: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -516.731877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.731877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.731877 (E_RNA)
where:
Base-Base interactions energy: -221.797
where: short stacking energy: -163.655
Base-Backbone interact. energy: 0.061
local terms energy: -294.995942
where:
bonds (distance) C4'-P energy: -85.651
bonds (distance) P-C4' energy: -100.452
flat angles C4'-P-C4' energy: -86.843
flat angles P-C4'-P energy: -53.217
tors. eta vs tors. theta energy: 31.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -2090.935788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2090.935788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2090.935788 (E_RNA)
where:
Base-Base interactions energy: -1476.777
where: short stacking energy: -598.190
Base-Backbone interact. energy: 1.125
local terms energy: -615.283816
where:
bonds (distance) C4'-P energy: -102.784
bonds (distance) P-C4' energy: -117.518
flat angles C4'-P-C4' energy: -128.733
flat angles P-C4'-P energy: -87.069
tors. eta vs tors. theta energy: -179.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1996.440031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.440031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.440031 (E_RNA)
where:
Base-Base interactions energy: -1392.089
where: short stacking energy: -578.335
Base-Backbone interact. energy: -3.136
local terms energy: -601.214190
where:
bonds (distance) C4'-P energy: -109.473
bonds (distance) P-C4' energy: -108.639
flat angles C4'-P-C4' energy: -123.428
flat angles P-C4'-P energy: -90.116
tors. eta vs tors. theta energy: -169.558
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: 7
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1944.153324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.153324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.153324 (E_RNA)
where:
Base-Base interactions energy: -1335.453
where: short stacking energy: -553.453
Base-Backbone interact. energy: -2.329
local terms energy: -606.371130
where:
bonds (distance) C4'-P energy: -97.456
bonds (distance) P-C4' energy: -122.603
flat angles C4'-P-C4' energy: -131.085
flat angles P-C4'-P energy: -88.408
tors. eta vs tors. theta energy: -166.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1824.350187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.350187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.350187 (E_RNA)
where:
Base-Base interactions energy: -1247.489
where: short stacking energy: -521.999
Base-Backbone interact. energy: -1.220
local terms energy: -575.641533
where:
bonds (distance) C4'-P energy: -106.569
bonds (distance) P-C4' energy: -114.869
flat angles C4'-P-C4' energy: -127.369
flat angles P-C4'-P energy: -76.189
tors. eta vs tors. theta energy: -150.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1738.859865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.859865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.859865 (E_RNA)
where:
Base-Base interactions energy: -1169.942
where: short stacking energy: -504.338
Base-Backbone interact. energy: -2.936
local terms energy: -565.982484
where:
bonds (distance) C4'-P energy: -117.468
bonds (distance) P-C4' energy: -127.106
flat angles C4'-P-C4' energy: -114.859
flat angles P-C4'-P energy: -66.020
tors. eta vs tors. theta energy: -140.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1675.483615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.483615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.483615 (E_RNA)
where:
Base-Base interactions energy: -1161.852
where: short stacking energy: -477.782
Base-Backbone interact. energy: -2.031
local terms energy: -511.600747
where:
bonds (distance) C4'-P energy: -84.824
bonds (distance) P-C4' energy: -95.482
flat angles C4'-P-C4' energy: -121.341
flat angles P-C4'-P energy: -70.170
tors. eta vs tors. theta energy: -139.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1357.937040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.937040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.937040 (E_RNA)
where:
Base-Base interactions energy: -898.619
where: short stacking energy: -386.693
Base-Backbone interact. energy: 5.166
local terms energy: -464.484277
where:
bonds (distance) C4'-P energy: -113.768
bonds (distance) P-C4' energy: -100.472
flat angles C4'-P-C4' energy: -102.453
flat angles P-C4'-P energy: -56.795
tors. eta vs tors. theta energy: -90.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1034.032723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.032723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.032723 (E_RNA)
where:
Base-Base interactions energy: -647.261
where: short stacking energy: -269.253
Base-Backbone interact. energy: 2.419
local terms energy: -389.190827
where:
bonds (distance) C4'-P energy: -80.987
bonds (distance) P-C4' energy: -99.545
flat angles C4'-P-C4' energy: -105.517
flat angles P-C4'-P energy: -67.429
tors. eta vs tors. theta energy: -35.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -715.831980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.831980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.831980 (E_RNA)
where:
Base-Base interactions energy: -388.447
where: short stacking energy: -211.168
Base-Backbone interact. energy: 1.608
local terms energy: -328.992808
where:
bonds (distance) C4'-P energy: -94.517
bonds (distance) P-C4' energy: -82.188
flat angles C4'-P-C4' energy: -86.023
flat angles P-C4'-P energy: -58.998
tors. eta vs tors. theta energy: -7.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -513.559390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.559390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.559390 (E_RNA)
where:
Base-Base interactions energy: -210.923
where: short stacking energy: -156.557
Base-Backbone interact. energy: 1.795
local terms energy: -304.432145
where:
bonds (distance) C4'-P energy: -105.457
bonds (distance) P-C4' energy: -107.388
flat angles C4'-P-C4' energy: -59.845
flat angles P-C4'-P energy: -33.091
tors. eta vs tors. theta energy: 1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -2082.547243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2082.547243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2082.547243 (E_RNA)
where:
Base-Base interactions energy: -1462.264
where: short stacking energy: -599.013
Base-Backbone interact. energy: -2.410
local terms energy: -617.874062
where:
bonds (distance) C4'-P energy: -108.159
bonds (distance) P-C4' energy: -115.654
flat angles C4'-P-C4' energy: -133.974
flat angles P-C4'-P energy: -88.091
tors. eta vs tors. theta energy: -171.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1982.852687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.852687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.852687 (E_RNA)
where:
Base-Base interactions energy: -1387.797
where: short stacking energy: -602.227
Base-Backbone interact. energy: -0.387
local terms energy: -594.668665
where:
bonds (distance) C4'-P energy: -108.981
bonds (distance) P-C4' energy: -105.210
flat angles C4'-P-C4' energy: -131.973
flat angles P-C4'-P energy: -70.764
tors. eta vs tors. theta energy: -177.741
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: 3, replica: 7
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1916.540378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.540378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.540378 (E_RNA)
where:
Base-Base interactions energy: -1344.713
where: short stacking energy: -569.421
Base-Backbone interact. energy: -2.357
local terms energy: -569.470279
where:
bonds (distance) C4'-P energy: -100.316
bonds (distance) P-C4' energy: -114.898
flat angles C4'-P-C4' energy: -113.705
flat angles P-C4'-P energy: -81.685
tors. eta vs tors. theta energy: -158.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1819.766616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.766616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.766616 (E_RNA)
where:
Base-Base interactions energy: -1262.799
where: short stacking energy: -526.554
Base-Backbone interact. energy: 0.589
local terms energy: -557.557138
where:
bonds (distance) C4'-P energy: -99.996
bonds (distance) P-C4' energy: -91.679
flat angles C4'-P-C4' energy: -119.872
flat angles P-C4'-P energy: -82.907
tors. eta vs tors. theta energy: -163.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1725.139232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.139232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.139232 (E_RNA)
where:
Base-Base interactions energy: -1192.159
where: short stacking energy: -485.781
Base-Backbone interact. energy: -1.810
local terms energy: -531.169945
where:
bonds (distance) C4'-P energy: -93.930
bonds (distance) P-C4' energy: -94.172
flat angles C4'-P-C4' energy: -111.977
flat angles P-C4'-P energy: -87.331
tors. eta vs tors. theta energy: -143.761
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: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1671.706807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.706807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.706807 (E_RNA)
where:
Base-Base interactions energy: -1157.881
where: short stacking energy: -480.816
Base-Backbone interact. energy: 0.489
local terms energy: -514.315007
where:
bonds (distance) C4'-P energy: -90.287
bonds (distance) P-C4' energy: -91.077
flat angles C4'-P-C4' energy: -118.582
flat angles P-C4'-P energy: -74.532
tors. eta vs tors. theta energy: -139.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1346.509665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.509665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.509665 (E_RNA)
where:
Base-Base interactions energy: -880.256
where: short stacking energy: -384.958
Base-Backbone interact. energy: 5.424
local terms energy: -471.677692
where:
bonds (distance) C4'-P energy: -94.226
bonds (distance) P-C4' energy: -118.573
flat angles C4'-P-C4' energy: -90.571
flat angles P-C4'-P energy: -62.962
tors. eta vs tors. theta energy: -105.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1053.279245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.279245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.279245 (E_RNA)
where:
Base-Base interactions energy: -665.567
where: short stacking energy: -298.521
Base-Backbone interact. energy: 0.802
local terms energy: -388.515089
where:
bonds (distance) C4'-P energy: -82.997
bonds (distance) P-C4' energy: -109.327
flat angles C4'-P-C4' energy: -93.798
flat angles P-C4'-P energy: -51.436
tors. eta vs tors. theta energy: -50.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -765.452238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.452238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.452238 (E_RNA)
where:
Base-Base interactions energy: -417.383
where: short stacking energy: -206.218
Base-Backbone interact. energy: 0.308
local terms energy: -348.377988
where:
bonds (distance) C4'-P energy: -82.625
bonds (distance) P-C4' energy: -92.048
flat angles C4'-P-C4' energy: -99.701
flat angles P-C4'-P energy: -67.131
tors. eta vs tors. theta energy: -6.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -501.360545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.360545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.360545 (E_RNA)
where:
Base-Base interactions energy: -224.716
where: short stacking energy: -170.830
Base-Backbone interact. energy: 0.072
local terms energy: -276.716520
where:
bonds (distance) C4'-P energy: -95.103
bonds (distance) P-C4' energy: -91.855
flat angles C4'-P-C4' energy: -56.217
flat angles P-C4'-P energy: -41.262
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: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -2085.090160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2085.090160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2085.090160 (E_RNA)
where:
Base-Base interactions energy: -1455.828
where: short stacking energy: -607.207
Base-Backbone interact. energy: -2.084
local terms energy: -627.178991
where:
bonds (distance) C4'-P energy: -113.133
bonds (distance) P-C4' energy: -111.206
flat angles C4'-P-C4' energy: -132.250
flat angles P-C4'-P energy: -92.777
tors. eta vs tors. theta energy: -177.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -2019.648165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.648165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.648165 (E_RNA)
where:
Base-Base interactions energy: -1399.622
where: short stacking energy: -588.544
Base-Backbone interact. energy: -5.172
local terms energy: -614.854228
where:
bonds (distance) C4'-P energy: -103.946
bonds (distance) P-C4' energy: -114.611
flat angles C4'-P-C4' energy: -131.157
flat angles P-C4'-P energy: -87.618
tors. eta vs tors. theta energy: -177.522
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: 467
Temperature: 1.000000
Total energy: -1907.764348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.764348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.764348 (E_RNA)
where:
Base-Base interactions energy: -1308.577
where: short stacking energy: -553.434
Base-Backbone interact. energy: -2.766
local terms energy: -596.421098
where:
bonds (distance) C4'-P energy: -118.753
bonds (distance) P-C4' energy: -118.954
flat angles C4'-P-C4' energy: -126.216
flat angles P-C4'-P energy: -74.824
tors. eta vs tors. theta energy: -157.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -1833.662251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.662251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.662251 (E_RNA)
where:
Base-Base interactions energy: -1264.595
where: short stacking energy: -565.563
Base-Backbone interact. energy: 4.399
local terms energy: -573.466007
where:
bonds (distance) C4'-P energy: -114.811
bonds (distance) P-C4' energy: -94.525
flat angles C4'-P-C4' energy: -124.867
flat angles P-C4'-P energy: -74.351
tors. eta vs tors. theta energy: -164.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -1673.399561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.399561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.399561 (E_RNA)
where:
Base-Base interactions energy: -1126.699
where: short stacking energy: -494.595
Base-Backbone interact. energy: -2.712
local terms energy: -543.988924
where:
bonds (distance) C4'-P energy: -106.892
bonds (distance) P-C4' energy: -99.271
flat angles C4'-P-C4' energy: -113.651
flat angles P-C4'-P energy: -72.848
tors. eta vs tors. theta energy: -151.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1640.205367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.205367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.205367 (E_RNA)
where:
Base-Base interactions energy: -1117.136
where: short stacking energy: -444.705
Base-Backbone interact. energy: -1.767
local terms energy: -521.301872
where:
bonds (distance) C4'-P energy: -98.367
bonds (distance) P-C4' energy: -106.410
flat angles C4'-P-C4' energy: -125.557
flat angles P-C4'-P energy: -65.477
tors. eta vs tors. theta energy: -125.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1346.580387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.580387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.580387 (E_RNA)
where:
Base-Base interactions energy: -859.978
where: short stacking energy: -385.084
Base-Backbone interact. energy: 1.102
local terms energy: -487.704360
where:
bonds (distance) C4'-P energy: -102.599
bonds (distance) P-C4' energy: -105.791
flat angles C4'-P-C4' energy: -107.969
flat angles P-C4'-P energy: -62.851
tors. eta vs tors. theta energy: -108.494
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: 467
Temperature: 1.250000
Total energy: -1117.478144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1117.478144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1117.478144 (E_RNA)
where:
Base-Base interactions energy: -696.121
where: short stacking energy: -321.190
Base-Backbone interact. energy: 2.530
local terms energy: -423.886442
where:
bonds (distance) C4'-P energy: -86.371
bonds (distance) P-C4' energy: -113.645
flat angles C4'-P-C4' energy: -86.758
flat angles P-C4'-P energy: -66.866
tors. eta vs tors. theta energy: -70.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -848.903316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.903316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.903316 (E_RNA)
where:
Base-Base interactions energy: -475.980
where: short stacking energy: -222.075
Base-Backbone interact. energy: -0.536
local terms energy: -372.387718
where:
bonds (distance) C4'-P energy: -101.987
bonds (distance) P-C4' energy: -109.669
flat angles C4'-P-C4' energy: -91.172
flat angles P-C4'-P energy: -44.101
tors. eta vs tors. theta energy: -25.458
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: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -514.819627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.819627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.819627 (E_RNA)
where:
Base-Base interactions energy: -232.081
where: short stacking energy: -149.289
Base-Backbone interact. energy: 0.646
local terms energy: -283.384639
where:
bonds (distance) C4'-P energy: -80.093
bonds (distance) P-C4' energy: -86.912
flat angles C4'-P-C4' energy: -69.080
flat angles P-C4'-P energy: -52.364
tors. eta vs tors. theta energy: 5.065
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: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -2067.098492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.098492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.098492 (E_RNA)
where:
Base-Base interactions energy: -1448.946
where: short stacking energy: -588.456
Base-Backbone interact. energy: -3.762
local terms energy: -614.390687
where:
bonds (distance) C4'-P energy: -110.693
bonds (distance) P-C4' energy: -110.981
flat angles C4'-P-C4' energy: -133.714
flat angles P-C4'-P energy: -91.268
tors. eta vs tors. theta energy: -167.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -2012.152295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.152295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.152295 (E_RNA)
where:
Base-Base interactions energy: -1365.099
where: short stacking energy: -600.280
Base-Backbone interact. energy: -3.116
local terms energy: -643.937526
where:
bonds (distance) C4'-P energy: -113.832
bonds (distance) P-C4' energy: -118.608
flat angles C4'-P-C4' energy: -133.161
flat angles P-C4'-P energy: -99.086
tors. eta vs tors. theta energy: -179.250
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: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1899.066088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.066088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.066088 (E_RNA)
where:
Base-Base interactions energy: -1321.079
where: short stacking energy: -547.803
Base-Backbone interact. energy: -3.130
local terms energy: -574.857111
where:
bonds (distance) C4'-P energy: -97.390
bonds (distance) P-C4' energy: -116.654
flat angles C4'-P-C4' energy: -120.764
flat angles P-C4'-P energy: -78.240
tors. eta vs tors. theta energy: -161.810
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: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1831.453117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.453117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.453117 (E_RNA)
where:
Base-Base interactions energy: -1254.556
where: short stacking energy: -533.855
Base-Backbone interact. energy: 1.800
local terms energy: -578.697119
where:
bonds (distance) C4'-P energy: -100.542
bonds (distance) P-C4' energy: -114.372
flat angles C4'-P-C4' energy: -120.060
flat angles P-C4'-P energy: -78.342
tors. eta vs tors. theta energy: -165.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -1692.363167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.363167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.363167 (E_RNA)
where:
Base-Base interactions energy: -1161.860
where: short stacking energy: -489.511
Base-Backbone interact. energy: -1.399
local terms energy: -529.103974
where:
bonds (distance) C4'-P energy: -93.845
bonds (distance) P-C4' energy: -98.274
flat angles C4'-P-C4' energy: -125.935
flat angles P-C4'-P energy: -74.193
tors. eta vs tors. theta energy: -136.857
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: 468
Temperature: 1.150000
Total energy: -1642.321594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.321594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.321594 (E_RNA)
where:
Base-Base interactions energy: -1107.952
where: short stacking energy: -466.922
Base-Backbone interact. energy: -0.327
local terms energy: -534.042826
where:
bonds (distance) C4'-P energy: -103.024
bonds (distance) P-C4' energy: -100.245
flat angles C4'-P-C4' energy: -121.222
flat angles P-C4'-P energy: -70.161
tors. eta vs tors. theta energy: -139.390
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: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1335.596491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.596491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.596491 (E_RNA)
where:
Base-Base interactions energy: -880.908
where: short stacking energy: -377.691
Base-Backbone interact. energy: -2.271
local terms energy: -452.417492
where:
bonds (distance) C4'-P energy: -89.952
bonds (distance) P-C4' energy: -96.187
flat angles C4'-P-C4' energy: -107.306
flat angles P-C4'-P energy: -61.311
tors. eta vs tors. theta energy: -97.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1110.194483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.194483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.194483 (E_RNA)
where:
Base-Base interactions energy: -707.127
where: short stacking energy: -340.258
Base-Backbone interact. energy: 0.380
local terms energy: -403.447300
where:
bonds (distance) C4'-P energy: -80.760
bonds (distance) P-C4' energy: -109.211
flat angles C4'-P-C4' energy: -89.098
flat angles P-C4'-P energy: -64.602
tors. eta vs tors. theta energy: -59.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -848.744996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.744996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.744996 (E_RNA)
where:
Base-Base interactions energy: -454.863
where: short stacking energy: -252.111
Base-Backbone interact. energy: 2.466
local terms energy: -396.348052
where:
bonds (distance) C4'-P energy: -109.788
bonds (distance) P-C4' energy: -113.973
flat angles C4'-P-C4' energy: -97.490
flat angles P-C4'-P energy: -47.557
tors. eta vs tors. theta energy: -27.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -511.249931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.249931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.249931 (E_RNA)
where:
Base-Base interactions energy: -226.021
where: short stacking energy: -123.694
Base-Backbone interact. energy: -0.760
local terms energy: -284.469161
where:
bonds (distance) C4'-P energy: -99.938
bonds (distance) P-C4' energy: -94.257
flat angles C4'-P-C4' energy: -65.226
flat angles P-C4'-P energy: -52.153
tors. eta vs tors. theta energy: 27.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -2083.823133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2083.823133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2083.823133 (E_RNA)
where:
Base-Base interactions energy: -1471.438
where: short stacking energy: -593.498
Base-Backbone interact. energy: -3.349
local terms energy: -609.035745
where:
bonds (distance) C4'-P energy: -113.927
bonds (distance) P-C4' energy: -120.780
flat angles C4'-P-C4' energy: -121.982
flat angles P-C4'-P energy: -88.376
tors. eta vs tors. theta energy: -163.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1985.216982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.216982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.216982 (E_RNA)
where:
Base-Base interactions energy: -1381.949
where: short stacking energy: -605.423
Base-Backbone interact. energy: -3.714
local terms energy: -599.554590
where:
bonds (distance) C4'-P energy: -111.604
bonds (distance) P-C4' energy: -109.811
flat angles C4'-P-C4' energy: -127.713
flat angles P-C4'-P energy: -71.047
tors. eta vs tors. theta energy: -179.379
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: 469
Temperature: 1.000000
Total energy: -1920.422233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.422233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.422233 (E_RNA)
where:
Base-Base interactions energy: -1360.855
where: short stacking energy: -555.582
Base-Backbone interact. energy: 0.968
local terms energy: -560.535562
where:
bonds (distance) C4'-P energy: -109.710
bonds (distance) P-C4' energy: -105.011
flat angles C4'-P-C4' energy: -120.784
flat angles P-C4'-P energy: -70.000
tors. eta vs tors. theta energy: -155.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1804.147208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.147208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.147208 (E_RNA)
where:
Base-Base interactions energy: -1256.182
where: short stacking energy: -532.917
Base-Backbone interact. energy: -0.333
local terms energy: -547.632518
where:
bonds (distance) C4'-P energy: -93.016
bonds (distance) P-C4' energy: -101.707
flat angles C4'-P-C4' energy: -116.671
flat angles P-C4'-P energy: -86.091
tors. eta vs tors. theta energy: -150.148
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: 1
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1728.537988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.537988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.537988 (E_RNA)
where:
Base-Base interactions energy: -1181.268
where: short stacking energy: -491.012
Base-Backbone interact. energy: 0.165
local terms energy: -547.435015
where:
bonds (distance) C4'-P energy: -97.639
bonds (distance) P-C4' energy: -125.831
flat angles C4'-P-C4' energy: -104.291
flat angles P-C4'-P energy: -88.824
tors. eta vs tors. theta energy: -130.850
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: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1630.159040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.159040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.159040 (E_RNA)
where:
Base-Base interactions energy: -1095.285
where: short stacking energy: -474.500
Base-Backbone interact. energy: -2.651
local terms energy: -532.222572
where:
bonds (distance) C4'-P energy: -97.716
bonds (distance) P-C4' energy: -96.065
flat angles C4'-P-C4' energy: -120.125
flat angles P-C4'-P energy: -78.117
tors. eta vs tors. theta energy: -140.200
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: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -1318.141834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.141834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.141834 (E_RNA)
where:
Base-Base interactions energy: -845.384
where: short stacking energy: -376.893
Base-Backbone interact. energy: -0.147
local terms energy: -472.610834
where:
bonds (distance) C4'-P energy: -98.407
bonds (distance) P-C4' energy: -98.573
flat angles C4'-P-C4' energy: -108.691
flat angles P-C4'-P energy: -68.509
tors. eta vs tors. theta energy: -98.431
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: 469
Temperature: 1.250000
Total energy: -1096.237156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.237156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.237156 (E_RNA)
where:
Base-Base interactions energy: -684.894
where: short stacking energy: -312.076
Base-Backbone interact. energy: 2.258
local terms energy: -413.601018
where:
bonds (distance) C4'-P energy: -93.565
bonds (distance) P-C4' energy: -105.522
flat angles C4'-P-C4' energy: -95.241
flat angles P-C4'-P energy: -55.350
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: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -834.874312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.874312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.874312 (E_RNA)
where:
Base-Base interactions energy: -498.066
where: short stacking energy: -240.513
Base-Backbone interact. energy: -1.865
local terms energy: -334.943518
where:
bonds (distance) C4'-P energy: -78.103
bonds (distance) P-C4' energy: -94.970
flat angles C4'-P-C4' energy: -97.773
flat angles P-C4'-P energy: -52.287
tors. eta vs tors. theta energy: -11.810
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: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -509.129475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.129475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.129475 (E_RNA)
where:
Base-Base interactions energy: -255.332
where: short stacking energy: -147.283
Base-Backbone interact. energy: 4.179
local terms energy: -257.977182
where:
bonds (distance) C4'-P energy: -102.017
bonds (distance) P-C4' energy: -100.395
flat angles C4'-P-C4' energy: -62.175
flat angles P-C4'-P energy: -17.777
tors. eta vs tors. theta energy: 24.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -2106.591297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.591297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.591297 (E_RNA)
where:
Base-Base interactions energy: -1490.199
where: short stacking energy: -608.508
Base-Backbone interact. energy: 0.058
local terms energy: -616.450921
where:
bonds (distance) C4'-P energy: -107.110
bonds (distance) P-C4' energy: -116.822
flat angles C4'-P-C4' energy: -130.888
flat angles P-C4'-P energy: -94.175
tors. eta vs tors. theta energy: -167.456
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: 6
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -1993.543296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.543296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.543296 (E_RNA)
where:
Base-Base interactions energy: -1382.102
where: short stacking energy: -593.930
Base-Backbone interact. energy: 4.523
local terms energy: -615.964251
where:
bonds (distance) C4'-P energy: -108.970
bonds (distance) P-C4' energy: -104.824
flat angles C4'-P-C4' energy: -131.335
flat angles P-C4'-P energy: -91.156
tors. eta vs tors. theta energy: -179.679
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: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1957.052805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.052805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.052805 (E_RNA)
where:
Base-Base interactions energy: -1351.829
where: short stacking energy: -545.546
Base-Backbone interact. energy: -0.975
local terms energy: -604.249214
where:
bonds (distance) C4'-P energy: -106.291
bonds (distance) P-C4' energy: -114.236
flat angles C4'-P-C4' energy: -132.073
flat angles P-C4'-P energy: -87.774
tors. eta vs tors. theta energy: -163.875
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: 8
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1832.620177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.620177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.620177 (E_RNA)
where:
Base-Base interactions energy: -1274.604
where: short stacking energy: -553.129
Base-Backbone interact. energy: 0.751
local terms energy: -558.766865
where:
bonds (distance) C4'-P energy: -101.601
bonds (distance) P-C4' energy: -107.208
flat angles C4'-P-C4' energy: -113.778
flat angles P-C4'-P energy: -67.564
tors. eta vs tors. theta energy: -168.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1699.469734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.469734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.469734 (E_RNA)
where:
Base-Base interactions energy: -1167.718
where: short stacking energy: -500.319
Base-Backbone interact. energy: -0.806
local terms energy: -530.946014
where:
bonds (distance) C4'-P energy: -102.179
bonds (distance) P-C4' energy: -118.589
flat angles C4'-P-C4' energy: -105.869
flat angles P-C4'-P energy: -66.271
tors. eta vs tors. theta energy: -138.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1684.045506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.045506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.045506 (E_RNA)
where:
Base-Base interactions energy: -1139.952
where: short stacking energy: -497.127
Base-Backbone interact. energy: -1.496
local terms energy: -542.597561
where:
bonds (distance) C4'-P energy: -97.128
bonds (distance) P-C4' energy: -97.392
flat angles C4'-P-C4' energy: -122.236
flat angles P-C4'-P energy: -74.866
tors. eta vs tors. theta energy: -150.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -1299.483988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.483988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.483988 (E_RNA)
where:
Base-Base interactions energy: -857.329
where: short stacking energy: -378.427
Base-Backbone interact. energy: 3.741
local terms energy: -445.895937
where:
bonds (distance) C4'-P energy: -102.254
bonds (distance) P-C4' energy: -104.391
flat angles C4'-P-C4' energy: -94.859
flat angles P-C4'-P energy: -56.572
tors. eta vs tors. theta energy: -87.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1110.010261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.010261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.010261 (E_RNA)
where:
Base-Base interactions energy: -710.281
where: short stacking energy: -310.812
Base-Backbone interact. energy: -0.333
local terms energy: -399.397023
where:
bonds (distance) C4'-P energy: -99.189
bonds (distance) P-C4' energy: -88.636
flat angles C4'-P-C4' energy: -102.444
flat angles P-C4'-P energy: -53.455
tors. eta vs tors. theta energy: -55.673
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: 2
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -831.667572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.667572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.667572 (E_RNA)
where:
Base-Base interactions energy: -464.560
where: short stacking energy: -227.734
Base-Backbone interact. energy: -1.016
local terms energy: -366.091219
where:
bonds (distance) C4'-P energy: -79.870
bonds (distance) P-C4' energy: -104.393
flat angles C4'-P-C4' energy: -101.449
flat angles P-C4'-P energy: -61.957
tors. eta vs tors. theta energy: -18.423
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: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -538.607389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -538.607389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -538.607389 (E_RNA)
where:
Base-Base interactions energy: -249.342
where: short stacking energy: -150.850
Base-Backbone interact. energy: -0.101
local terms energy: -289.164420
where:
bonds (distance) C4'-P energy: -92.453
bonds (distance) P-C4' energy: -101.409
flat angles C4'-P-C4' energy: -78.995
flat angles P-C4'-P energy: -38.018
tors. eta vs tors. theta energy: 21.710
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: 471
Temperature: 0.900000
Total energy: -2096.146088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.146088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.146088 (E_RNA)
where:
Base-Base interactions energy: -1480.319
where: short stacking energy: -584.863
Base-Backbone interact. energy: 1.716
local terms energy: -617.543266
where:
bonds (distance) C4'-P energy: -123.202
bonds (distance) P-C4' energy: -113.014
flat angles C4'-P-C4' energy: -131.779
flat angles P-C4'-P energy: -84.892
tors. eta vs tors. theta energy: -164.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1998.727493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.727493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.727493 (E_RNA)
where:
Base-Base interactions energy: -1382.873
where: short stacking energy: -562.791
Base-Backbone interact. energy: -1.097
local terms energy: -614.757218
where:
bonds (distance) C4'-P energy: -115.053
bonds (distance) P-C4' energy: -120.327
flat angles C4'-P-C4' energy: -132.138
flat angles P-C4'-P energy: -81.472
tors. eta vs tors. theta energy: -165.767
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: 6
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1958.137363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.137363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.137363 (E_RNA)
where:
Base-Base interactions energy: -1359.053
where: short stacking energy: -578.074
Base-Backbone interact. energy: -0.508
local terms energy: -598.576442
where:
bonds (distance) C4'-P energy: -113.335
bonds (distance) P-C4' energy: -111.487
flat angles C4'-P-C4' energy: -123.218
flat angles P-C4'-P energy: -79.804
tors. eta vs tors. theta energy: -170.732
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: 4, replica: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -1806.291761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.291761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.291761 (E_RNA)
where:
Base-Base interactions energy: -1242.572
where: short stacking energy: -505.676
Base-Backbone interact. energy: -1.146
local terms energy: -562.574149
where:
bonds (distance) C4'-P energy: -105.265
bonds (distance) P-C4' energy: -103.257
flat angles C4'-P-C4' energy: -119.055
flat angles P-C4'-P energy: -87.098
tors. eta vs tors. theta energy: -147.899
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: 1
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1721.051863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.051863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.051863 (E_RNA)
where:
Base-Base interactions energy: -1161.199
where: short stacking energy: -492.747
Base-Backbone interact. energy: -4.406
local terms energy: -555.447489
where:
bonds (distance) C4'-P energy: -114.539
bonds (distance) P-C4' energy: -106.759
flat angles C4'-P-C4' energy: -118.323
flat angles P-C4'-P energy: -82.540
tors. eta vs tors. theta energy: -133.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1632.608777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.608777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.608777 (E_RNA)
where:
Base-Base interactions energy: -1101.618
where: short stacking energy: -459.649
Base-Backbone interact. energy: 0.975
local terms energy: -531.966735
where:
bonds (distance) C4'-P energy: -95.168
bonds (distance) P-C4' energy: -94.858
flat angles C4'-P-C4' energy: -127.417
flat angles P-C4'-P energy: -83.749
tors. eta vs tors. theta energy: -130.776
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: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1347.256591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.256591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.256591 (E_RNA)
where:
Base-Base interactions energy: -866.228
where: short stacking energy: -412.527
Base-Backbone interact. energy: 4.203
local terms energy: -485.231154
where:
bonds (distance) C4'-P energy: -98.564
bonds (distance) P-C4' energy: -112.792
flat angles C4'-P-C4' energy: -114.563
flat angles P-C4'-P energy: -55.007
tors. eta vs tors. theta energy: -104.305
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: 4
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1114.321022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.321022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.321022 (E_RNA)
where:
Base-Base interactions energy: -702.850
where: short stacking energy: -328.083
Base-Backbone interact. energy: -1.736
local terms energy: -409.735097
where:
bonds (distance) C4'-P energy: -93.498
bonds (distance) P-C4' energy: -100.982
flat angles C4'-P-C4' energy: -103.335
flat angles P-C4'-P energy: -62.129
tors. eta vs tors. theta energy: -49.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -821.876861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.876861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.876861 (E_RNA)
where:
Base-Base interactions energy: -483.086
where: short stacking energy: -220.551
Base-Backbone interact. energy: 2.741
local terms energy: -341.532108
where:
bonds (distance) C4'-P energy: -96.930
bonds (distance) P-C4' energy: -110.696
flat angles C4'-P-C4' energy: -76.227
flat angles P-C4'-P energy: -39.489
tors. eta vs tors. theta energy: -18.191
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: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -533.315160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.315160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.315160 (E_RNA)
where:
Base-Base interactions energy: -235.584
where: short stacking energy: -131.154
Base-Backbone interact. energy: -0.231
local terms energy: -297.500043
where:
bonds (distance) C4'-P energy: -88.225
bonds (distance) P-C4' energy: -110.093
flat angles C4'-P-C4' energy: -67.765
flat angles P-C4'-P energy: -59.260
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: 1, replica: 9
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -2104.033512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2104.033512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2104.033512 (E_RNA)
where:
Base-Base interactions energy: -1479.209
where: short stacking energy: -591.988
Base-Backbone interact. energy: 0.875
local terms energy: -625.699633
where:
bonds (distance) C4'-P energy: -121.760
bonds (distance) P-C4' energy: -108.897
flat angles C4'-P-C4' energy: -135.093
flat angles P-C4'-P energy: -84.418
tors. eta vs tors. theta energy: -175.532
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: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -2000.485585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2000.485585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2000.485585 (E_RNA)
where:
Base-Base interactions energy: -1390.461
where: short stacking energy: -553.523
Base-Backbone interact. energy: -3.824
local terms energy: -606.200251
where:
bonds (distance) C4'-P energy: -117.641
bonds (distance) P-C4' energy: -115.006
flat angles C4'-P-C4' energy: -126.477
flat angles P-C4'-P energy: -78.570
tors. eta vs tors. theta energy: -168.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1969.072123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.072123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.072123 (E_RNA)
where:
Base-Base interactions energy: -1358.971
where: short stacking energy: -589.381
Base-Backbone interact. energy: -2.298
local terms energy: -607.802573
where:
bonds (distance) C4'-P energy: -124.965
bonds (distance) P-C4' energy: -111.054
flat angles C4'-P-C4' energy: -127.427
flat angles P-C4'-P energy: -79.028
tors. eta vs tors. theta energy: -165.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1834.451446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.451446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.451446 (E_RNA)
where:
Base-Base interactions energy: -1234.831
where: short stacking energy: -544.625
Base-Backbone interact. energy: -1.345
local terms energy: -598.275717
where:
bonds (distance) C4'-P energy: -115.302
bonds (distance) P-C4' energy: -111.107
flat angles C4'-P-C4' energy: -133.099
flat angles P-C4'-P energy: -73.718
tors. eta vs tors. theta energy: -165.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -1711.854114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.854114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.854114 (E_RNA)
where:
Base-Base interactions energy: -1168.583
where: short stacking energy: -494.827
Base-Backbone interact. energy: -4.550
local terms energy: -538.720993
where:
bonds (distance) C4'-P energy: -101.436
bonds (distance) P-C4' energy: -98.412
flat angles C4'-P-C4' energy: -107.347
flat angles P-C4'-P energy: -88.801
tors. eta vs tors. theta energy: -142.725
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: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1681.492570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.492570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.492570 (E_RNA)
where:
Base-Base interactions energy: -1110.254
where: short stacking energy: -488.883
Base-Backbone interact. energy: -3.073
local terms energy: -568.165647
where:
bonds (distance) C4'-P energy: -119.249
bonds (distance) P-C4' energy: -114.685
flat angles C4'-P-C4' energy: -106.864
flat angles P-C4'-P energy: -78.472
tors. eta vs tors. theta energy: -148.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1318.460592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.460592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.460592 (E_RNA)
where:
Base-Base interactions energy: -879.619
where: short stacking energy: -368.318
Base-Backbone interact. energy: -1.394
local terms energy: -437.448082
where:
bonds (distance) C4'-P energy: -88.798
bonds (distance) P-C4' energy: -110.426
flat angles C4'-P-C4' energy: -118.784
flat angles P-C4'-P energy: -48.488
tors. eta vs tors. theta energy: -70.953
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: 472
Temperature: 1.250000
Total energy: -1126.013614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.013614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.013614 (E_RNA)
where:
Base-Base interactions energy: -721.338
where: short stacking energy: -329.889
Base-Backbone interact. energy: 0.496
local terms energy: -405.171559
where:
bonds (distance) C4'-P energy: -88.831
bonds (distance) P-C4' energy: -103.435
flat angles C4'-P-C4' energy: -94.877
flat angles P-C4'-P energy: -58.850
tors. eta vs tors. theta energy: -59.179
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: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -745.278188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.278188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.278188 (E_RNA)
where:
Base-Base interactions energy: -400.762
where: short stacking energy: -234.184
Base-Backbone interact. energy: 2.130
local terms energy: -346.646150
where:
bonds (distance) C4'-P energy: -99.894
bonds (distance) P-C4' energy: -110.153
flat angles C4'-P-C4' energy: -72.703
flat angles P-C4'-P energy: -40.091
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -502.528215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.528215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.528215 (E_RNA)
where:
Base-Base interactions energy: -243.774
where: short stacking energy: -129.933
Base-Backbone interact. energy: 9.645
local terms energy: -268.399107
where:
bonds (distance) C4'-P energy: -95.163
bonds (distance) P-C4' energy: -85.646
flat angles C4'-P-C4' energy: -69.396
flat angles P-C4'-P energy: -35.307
tors. eta vs tors. theta energy: 17.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -2097.239048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2097.239048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2097.239048 (E_RNA)
where:
Base-Base interactions energy: -1475.208
where: short stacking energy: -606.078
Base-Backbone interact. energy: 1.716
local terms energy: -623.747737
where:
bonds (distance) C4'-P energy: -111.340
bonds (distance) P-C4' energy: -122.487
flat angles C4'-P-C4' energy: -130.091
flat angles P-C4'-P energy: -96.429
tors. eta vs tors. theta energy: -163.400
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: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -2044.336133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.336133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.336133 (E_RNA)
where:
Base-Base interactions energy: -1414.895
where: short stacking energy: -585.027
Base-Backbone interact. energy: -4.462
local terms energy: -624.979566
where:
bonds (distance) C4'-P energy: -117.181
bonds (distance) P-C4' energy: -119.862
flat angles C4'-P-C4' energy: -129.930
flat angles P-C4'-P energy: -85.748
tors. eta vs tors. theta energy: -172.259
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: 6
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1937.810822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.810822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.810822 (E_RNA)
where:
Base-Base interactions energy: -1351.035
where: short stacking energy: -574.194
Base-Backbone interact. energy: -3.303
local terms energy: -583.472725
where:
bonds (distance) C4'-P energy: -105.845
bonds (distance) P-C4' energy: -111.234
flat angles C4'-P-C4' energy: -130.979
flat angles P-C4'-P energy: -68.858
tors. eta vs tors. theta energy: -166.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1856.231930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.231930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.231930 (E_RNA)
where:
Base-Base interactions energy: -1294.733
where: short stacking energy: -543.571
Base-Backbone interact. energy: -1.673
local terms energy: -559.826271
where:
bonds (distance) C4'-P energy: -96.020
bonds (distance) P-C4' energy: -100.062
flat angles C4'-P-C4' energy: -134.013
flat angles P-C4'-P energy: -78.503
tors. eta vs tors. theta energy: -151.229
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: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1729.541046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.541046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.541046 (E_RNA)
where:
Base-Base interactions energy: -1202.345
where: short stacking energy: -517.237
Base-Backbone interact. energy: -4.735
local terms energy: -522.461216
where:
bonds (distance) C4'-P energy: -86.749
bonds (distance) P-C4' energy: -115.845
flat angles C4'-P-C4' energy: -106.558
flat angles P-C4'-P energy: -73.014
tors. eta vs tors. theta energy: -140.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1658.534891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.534891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.534891 (E_RNA)
where:
Base-Base interactions energy: -1137.636
where: short stacking energy: -482.710
Base-Backbone interact. energy: -0.940
local terms energy: -519.958461
where:
bonds (distance) C4'-P energy: -99.492
bonds (distance) P-C4' energy: -98.836
flat angles C4'-P-C4' energy: -122.436
flat angles P-C4'-P energy: -67.913
tors. eta vs tors. theta energy: -131.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1378.277744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.277744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.277744 (E_RNA)
where:
Base-Base interactions energy: -911.412
where: short stacking energy: -398.751
Base-Backbone interact. energy: -2.774
local terms energy: -464.091893
where:
bonds (distance) C4'-P energy: -98.263
bonds (distance) P-C4' energy: -90.846
flat angles C4'-P-C4' energy: -101.634
flat angles P-C4'-P energy: -71.552
tors. eta vs tors. theta energy: -101.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1109.224019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.224019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.224019 (E_RNA)
where:
Base-Base interactions energy: -688.399
where: short stacking energy: -301.498
Base-Backbone interact. energy: -3.554
local terms energy: -417.270855
where:
bonds (distance) C4'-P energy: -99.795
bonds (distance) P-C4' energy: -101.298
flat angles C4'-P-C4' energy: -100.675
flat angles P-C4'-P energy: -48.407
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: 9, replica: 2
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -843.737034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.737034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.737034 (E_RNA)
where:
Base-Base interactions energy: -465.702
where: short stacking energy: -241.702
Base-Backbone interact. energy: -1.243
local terms energy: -376.792271
where:
bonds (distance) C4'-P energy: -110.317
bonds (distance) P-C4' energy: -82.780
flat angles C4'-P-C4' energy: -84.734
flat angles P-C4'-P energy: -57.478
tors. eta vs tors. theta energy: -41.483
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: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -486.565545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.565545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.565545 (E_RNA)
where:
Base-Base interactions energy: -183.998
where: short stacking energy: -110.941
Base-Backbone interact. energy: 3.407
local terms energy: -305.974510
where:
bonds (distance) C4'-P energy: -100.827
bonds (distance) P-C4' energy: -97.111
flat angles C4'-P-C4' energy: -78.206
flat angles P-C4'-P energy: -53.417
tors. eta vs tors. theta energy: 23.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -2059.711274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.711274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.711274 (E_RNA)
where:
Base-Base interactions energy: -1417.239
where: short stacking energy: -603.051
Base-Backbone interact. energy: 0.723
local terms energy: -643.195232
where:
bonds (distance) C4'-P energy: -117.264
bonds (distance) P-C4' energy: -124.450
flat angles C4'-P-C4' energy: -131.459
flat angles P-C4'-P energy: -87.555
tors. eta vs tors. theta energy: -182.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -2047.098150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.098150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.098150 (E_RNA)
where:
Base-Base interactions energy: -1432.924
where: short stacking energy: -567.620
Base-Backbone interact. energy: 5.578
local terms energy: -619.752893
where:
bonds (distance) C4'-P energy: -114.356
bonds (distance) P-C4' energy: -121.577
flat angles C4'-P-C4' energy: -139.291
flat angles P-C4'-P energy: -87.460
tors. eta vs tors. theta energy: -157.068
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: 6
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1932.026615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.026615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.026615 (E_RNA)
where:
Base-Base interactions energy: -1349.702
where: short stacking energy: -575.969
Base-Backbone interact. energy: -3.297
local terms energy: -579.027089
where:
bonds (distance) C4'-P energy: -100.155
bonds (distance) P-C4' energy: -124.561
flat angles C4'-P-C4' energy: -124.354
flat angles P-C4'-P energy: -67.754
tors. eta vs tors. theta energy: -162.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1775.260411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.260411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.260411 (E_RNA)
where:
Base-Base interactions energy: -1248.053
where: short stacking energy: -527.099
Base-Backbone interact. energy: -1.821
local terms energy: -525.386284
where:
bonds (distance) C4'-P energy: -106.148
bonds (distance) P-C4' energy: -77.888
flat angles C4'-P-C4' energy: -116.036
flat angles P-C4'-P energy: -78.652
tors. eta vs tors. theta energy: -146.662
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: 474
Temperature: 1.100000
Total energy: -1772.715132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.715132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.715132 (E_RNA)
where:
Base-Base interactions energy: -1223.353
where: short stacking energy: -526.429
Base-Backbone interact. energy: 0.921
local terms energy: -550.283291
where:
bonds (distance) C4'-P energy: -94.615
bonds (distance) P-C4' energy: -106.321
flat angles C4'-P-C4' energy: -122.162
flat angles P-C4'-P energy: -76.397
tors. eta vs tors. theta energy: -150.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1638.196539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.196539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.196539 (E_RNA)
where:
Base-Base interactions energy: -1110.693
where: short stacking energy: -479.876
Base-Backbone interact. energy: -0.019
local terms energy: -527.483991
where:
bonds (distance) C4'-P energy: -124.081
bonds (distance) P-C4' energy: -99.316
flat angles C4'-P-C4' energy: -113.614
flat angles P-C4'-P energy: -65.604
tors. eta vs tors. theta energy: -124.870
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: 10
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1344.361558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.361558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.361558 (E_RNA)
where:
Base-Base interactions energy: -905.712
where: short stacking energy: -401.018
Base-Backbone interact. energy: -1.841
local terms energy: -436.809492
where:
bonds (distance) C4'-P energy: -96.978
bonds (distance) P-C4' energy: -97.903
flat angles C4'-P-C4' energy: -91.720
flat angles P-C4'-P energy: -64.337
tors. eta vs tors. theta energy: -85.872
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: 474
Temperature: 1.250000
Total energy: -1127.426693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.426693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.426693 (E_RNA)
where:
Base-Base interactions energy: -715.393
where: short stacking energy: -333.416
Base-Backbone interact. energy: -1.029
local terms energy: -411.004901
where:
bonds (distance) C4'-P energy: -100.173
bonds (distance) P-C4' energy: -92.439
flat angles C4'-P-C4' energy: -101.251
flat angles P-C4'-P energy: -50.897
tors. eta vs tors. theta energy: -66.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -905.568462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.568462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.568462 (E_RNA)
where:
Base-Base interactions energy: -510.341
where: short stacking energy: -258.688
Base-Backbone interact. energy: -1.060
local terms energy: -394.167608
where:
bonds (distance) C4'-P energy: -82.017
bonds (distance) P-C4' energy: -97.974
flat angles C4'-P-C4' energy: -96.374
flat angles P-C4'-P energy: -70.484
tors. eta vs tors. theta energy: -47.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -523.666090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.666090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.666090 (E_RNA)
where:
Base-Base interactions energy: -219.252
where: short stacking energy: -142.175
Base-Backbone interact. energy: -0.094
local terms energy: -304.319278
where:
bonds (distance) C4'-P energy: -73.522
bonds (distance) P-C4' energy: -117.624
flat angles C4'-P-C4' energy: -82.334
flat angles P-C4'-P energy: -56.192
tors. eta vs tors. theta energy: 25.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -2047.730585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2047.730585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2047.730585 (E_RNA)
where:
Base-Base interactions energy: -1394.979
where: short stacking energy: -584.206
Base-Backbone interact. energy: -2.568
local terms energy: -650.183689
where:
bonds (distance) C4'-P energy: -126.323
bonds (distance) P-C4' energy: -126.403
flat angles C4'-P-C4' energy: -133.273
flat angles P-C4'-P energy: -83.207
tors. eta vs tors. theta energy: -180.977
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: 9
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -2064.160756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.160756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.160756 (E_RNA)
where:
Base-Base interactions energy: -1465.772
where: short stacking energy: -586.734
Base-Backbone interact. energy: -3.329
local terms energy: -595.059924
where:
bonds (distance) C4'-P energy: -117.471
bonds (distance) P-C4' energy: -101.459
flat angles C4'-P-C4' energy: -135.977
flat angles P-C4'-P energy: -76.595
tors. eta vs tors. theta energy: -163.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1990.928438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.928438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.928438 (E_RNA)
where:
Base-Base interactions energy: -1406.618
where: short stacking energy: -605.586
Base-Backbone interact. energy: -1.580
local terms energy: -582.730424
where:
bonds (distance) C4'-P energy: -108.670
bonds (distance) P-C4' energy: -108.044
flat angles C4'-P-C4' energy: -123.062
flat angles P-C4'-P energy: -71.632
tors. eta vs tors. theta energy: -171.323
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: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1810.884723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.884723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.884723 (E_RNA)
where:
Base-Base interactions energy: -1242.355
where: short stacking energy: -534.724
Base-Backbone interact. energy: -0.257
local terms energy: -568.272283
where:
bonds (distance) C4'-P energy: -109.475
bonds (distance) P-C4' energy: -106.159
flat angles C4'-P-C4' energy: -132.634
flat angles P-C4'-P energy: -80.222
tors. eta vs tors. theta energy: -139.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1777.139741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.139741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.139741 (E_RNA)
where:
Base-Base interactions energy: -1224.739
where: short stacking energy: -547.934
Base-Backbone interact. energy: 3.361
local terms energy: -555.761927
where:
bonds (distance) C4'-P energy: -92.309
bonds (distance) P-C4' energy: -103.403
flat angles C4'-P-C4' energy: -117.743
flat angles P-C4'-P energy: -80.565
tors. eta vs tors. theta energy: -161.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1636.570435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.570435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.570435 (E_RNA)
where:
Base-Base interactions energy: -1116.112
where: short stacking energy: -492.326
Base-Backbone interact. energy: -3.047
local terms energy: -517.411247
where:
bonds (distance) C4'-P energy: -98.618
bonds (distance) P-C4' energy: -93.014
flat angles C4'-P-C4' energy: -117.318
flat angles P-C4'-P energy: -71.111
tors. eta vs tors. theta energy: -137.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1411.739534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.739534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.739534 (E_RNA)
where:
Base-Base interactions energy: -945.795
where: short stacking energy: -435.537
Base-Backbone interact. energy: -0.542
local terms energy: -465.402691
where:
bonds (distance) C4'-P energy: -104.051
bonds (distance) P-C4' energy: -93.947
flat angles C4'-P-C4' energy: -105.089
flat angles P-C4'-P energy: -50.551
tors. eta vs tors. theta energy: -111.764
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: 4
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1088.085611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.085611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.085611 (E_RNA)
where:
Base-Base interactions energy: -682.847
where: short stacking energy: -311.417
Base-Backbone interact. energy: -2.226
local terms energy: -403.012727
where:
bonds (distance) C4'-P energy: -101.764
bonds (distance) P-C4' energy: -93.722
flat angles C4'-P-C4' energy: -92.770
flat angles P-C4'-P energy: -55.590
tors. eta vs tors. theta energy: -59.167
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: 9, replica: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -950.874751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.874751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.874751 (E_RNA)
where:
Base-Base interactions energy: -538.912
where: short stacking energy: -242.134
Base-Backbone interact. energy: -1.670
local terms energy: -410.293368
where:
bonds (distance) C4'-P energy: -97.839
bonds (distance) P-C4' energy: -91.049
flat angles C4'-P-C4' energy: -115.686
flat angles P-C4'-P energy: -72.175
tors. eta vs tors. theta energy: -33.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -471.764873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.764873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.764873 (E_RNA)
where:
Base-Base interactions energy: -211.517
where: short stacking energy: -147.370
Base-Backbone interact. energy: 1.383
local terms energy: -261.630231
where:
bonds (distance) C4'-P energy: -60.423
bonds (distance) P-C4' energy: -86.237
flat angles C4'-P-C4' energy: -83.313
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: 11.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -2091.044194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.044194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.044194 (E_RNA)
where:
Base-Base interactions energy: -1454.644
where: short stacking energy: -568.710
Base-Backbone interact. energy: -0.871
local terms energy: -635.529556
where:
bonds (distance) C4'-P energy: -122.836
bonds (distance) P-C4' energy: -126.291
flat angles C4'-P-C4' energy: -129.012
flat angles P-C4'-P energy: -89.062
tors. eta vs tors. theta energy: -168.329
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: 7
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -2012.801893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2012.801893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2012.801893 (E_RNA)
where:
Base-Base interactions energy: -1409.155
where: short stacking energy: -553.400
Base-Backbone interact. energy: -0.602
local terms energy: -603.044602
where:
bonds (distance) C4'-P energy: -116.899
bonds (distance) P-C4' energy: -116.704
flat angles C4'-P-C4' energy: -126.679
flat angles P-C4'-P energy: -84.456
tors. eta vs tors. theta energy: -158.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1976.360161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.360161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.360161 (E_RNA)
where:
Base-Base interactions energy: -1380.618
where: short stacking energy: -579.015
Base-Backbone interact. energy: -1.955
local terms energy: -593.787197
where:
bonds (distance) C4'-P energy: -102.950
bonds (distance) P-C4' energy: -118.119
flat angles C4'-P-C4' energy: -126.281
flat angles P-C4'-P energy: -75.026
tors. eta vs tors. theta energy: -171.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1810.417356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.417356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.417356 (E_RNA)
where:
Base-Base interactions energy: -1250.861
where: short stacking energy: -526.439
Base-Backbone interact. energy: -1.326
local terms energy: -558.229911
where:
bonds (distance) C4'-P energy: -117.035
bonds (distance) P-C4' energy: -95.553
flat angles C4'-P-C4' energy: -120.947
flat angles P-C4'-P energy: -69.145
tors. eta vs tors. theta energy: -155.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1751.713289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.713289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.713289 (E_RNA)
where:
Base-Base interactions energy: -1208.565
where: short stacking energy: -502.862
Base-Backbone interact. energy: -0.488
local terms energy: -542.660123
where:
bonds (distance) C4'-P energy: -92.277
bonds (distance) P-C4' energy: -97.887
flat angles C4'-P-C4' energy: -120.673
flat angles P-C4'-P energy: -78.065
tors. eta vs tors. theta energy: -153.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1605.724230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.724230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.724230 (E_RNA)
where:
Base-Base interactions energy: -1098.517
where: short stacking energy: -481.849
Base-Backbone interact. energy: -0.602
local terms energy: -506.605759
where:
bonds (distance) C4'-P energy: -86.077
bonds (distance) P-C4' energy: -110.987
flat angles C4'-P-C4' energy: -113.857
flat angles P-C4'-P energy: -51.241
tors. eta vs tors. theta energy: -144.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1396.428387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.428387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.428387 (E_RNA)
where:
Base-Base interactions energy: -922.797
where: short stacking energy: -422.589
Base-Backbone interact. energy: 2.087
local terms energy: -475.717819
where:
bonds (distance) C4'-P energy: -85.109
bonds (distance) P-C4' energy: -106.768
flat angles C4'-P-C4' energy: -102.965
flat angles P-C4'-P energy: -72.534
tors. eta vs tors. theta energy: -108.341
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: 476
Temperature: 1.250000
Total energy: -1158.358643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.358643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.358643 (E_RNA)
where:
Base-Base interactions energy: -739.207
where: short stacking energy: -335.673
Base-Backbone interact. energy: -0.008
local terms energy: -419.143046
where:
bonds (distance) C4'-P energy: -80.554
bonds (distance) P-C4' energy: -117.160
flat angles C4'-P-C4' energy: -95.985
flat angles P-C4'-P energy: -64.149
tors. eta vs tors. theta energy: -61.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -868.562528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.562528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.562528 (E_RNA)
where:
Base-Base interactions energy: -518.629
where: short stacking energy: -243.865
Base-Backbone interact. energy: -1.943
local terms energy: -347.990240
where:
bonds (distance) C4'-P energy: -106.123
bonds (distance) P-C4' energy: -95.315
flat angles C4'-P-C4' energy: -85.854
flat angles P-C4'-P energy: -34.276
tors. eta vs tors. theta energy: -26.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -438.095745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.095745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.095745 (E_RNA)
where:
Base-Base interactions energy: -159.723
where: short stacking energy: -125.714
Base-Backbone interact. energy: -2.420
local terms energy: -275.952698
where:
bonds (distance) C4'-P energy: -89.412
bonds (distance) P-C4' energy: -101.188
flat angles C4'-P-C4' energy: -78.815
flat angles P-C4'-P energy: -33.599
tors. eta vs tors. theta energy: 27.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -2112.526831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.526831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.526831 (E_RNA)
where:
Base-Base interactions energy: -1477.723
where: short stacking energy: -601.319
Base-Backbone interact. energy: -0.655
local terms energy: -634.148611
where:
bonds (distance) C4'-P energy: -120.271
bonds (distance) P-C4' energy: -120.064
flat angles C4'-P-C4' energy: -135.039
flat angles P-C4'-P energy: -90.847
tors. eta vs tors. theta energy: -167.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -2043.942405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2043.942405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2043.942405 (E_RNA)
where:
Base-Base interactions energy: -1447.606
where: short stacking energy: -585.639
Base-Backbone interact. energy: -1.636
local terms energy: -594.700495
where:
bonds (distance) C4'-P energy: -107.355
bonds (distance) P-C4' energy: -115.510
flat angles C4'-P-C4' energy: -128.412
flat angles P-C4'-P energy: -72.776
tors. eta vs tors. theta energy: -170.648
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: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1933.073285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.073285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.073285 (E_RNA)
where:
Base-Base interactions energy: -1314.416
where: short stacking energy: -554.862
Base-Backbone interact. energy: -1.674
local terms energy: -616.983279
where:
bonds (distance) C4'-P energy: -119.226
bonds (distance) P-C4' energy: -111.139
flat angles C4'-P-C4' energy: -134.947
flat angles P-C4'-P energy: -88.055
tors. eta vs tors. theta energy: -163.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1799.042716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.042716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.042716 (E_RNA)
where:
Base-Base interactions energy: -1216.207
where: short stacking energy: -518.010
Base-Backbone interact. energy: -5.379
local terms energy: -577.456941
where:
bonds (distance) C4'-P energy: -102.570
bonds (distance) P-C4' energy: -120.297
flat angles C4'-P-C4' energy: -123.721
flat angles P-C4'-P energy: -74.381
tors. eta vs tors. theta energy: -156.488
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: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1764.604611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.604611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.604611 (E_RNA)
where:
Base-Base interactions energy: -1203.742
where: short stacking energy: -520.272
Base-Backbone interact. energy: -3.021
local terms energy: -557.841205
where:
bonds (distance) C4'-P energy: -100.287
bonds (distance) P-C4' energy: -100.928
flat angles C4'-P-C4' energy: -128.027
flat angles P-C4'-P energy: -78.229
tors. eta vs tors. theta energy: -150.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1662.733363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.733363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.733363 (E_RNA)
where:
Base-Base interactions energy: -1153.463
where: short stacking energy: -475.846
Base-Backbone interact. energy: -0.957
local terms energy: -508.313910
where:
bonds (distance) C4'-P energy: -78.993
bonds (distance) P-C4' energy: -102.059
flat angles C4'-P-C4' energy: -108.783
flat angles P-C4'-P energy: -84.939
tors. eta vs tors. theta energy: -133.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1414.237718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.237718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.237718 (E_RNA)
where:
Base-Base interactions energy: -928.445
where: short stacking energy: -416.242
Base-Backbone interact. energy: -1.340
local terms energy: -484.452971
where:
bonds (distance) C4'-P energy: -93.206
bonds (distance) P-C4' energy: -103.981
flat angles C4'-P-C4' energy: -99.545
flat angles P-C4'-P energy: -72.374
tors. eta vs tors. theta energy: -115.347
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: 477
Temperature: 1.250000
Total energy: -1128.674286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.674286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.674286 (E_RNA)
where:
Base-Base interactions energy: -707.239
where: short stacking energy: -317.989
Base-Backbone interact. energy: -3.757
local terms energy: -417.678068
where:
bonds (distance) C4'-P energy: -107.714
bonds (distance) P-C4' energy: -95.715
flat angles C4'-P-C4' energy: -100.659
flat angles P-C4'-P energy: -58.105
tors. eta vs tors. theta energy: -55.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -868.945941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.945941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.945941 (E_RNA)
where:
Base-Base interactions energy: -512.381
where: short stacking energy: -273.854
Base-Backbone interact. energy: -3.082
local terms energy: -353.482404
where:
bonds (distance) C4'-P energy: -83.801
bonds (distance) P-C4' energy: -90.493
flat angles C4'-P-C4' energy: -84.901
flat angles P-C4'-P energy: -52.310
tors. eta vs tors. theta energy: -41.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -458.553065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.553065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.553065 (E_RNA)
where:
Base-Base interactions energy: -155.965
where: short stacking energy: -103.837
Base-Backbone interact. energy: -2.240
local terms energy: -300.348312
where:
bonds (distance) C4'-P energy: -103.624
bonds (distance) P-C4' energy: -95.999
flat angles C4'-P-C4' energy: -76.730
flat angles P-C4'-P energy: -47.182
tors. eta vs tors. theta energy: 23.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -2102.571575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.571575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.571575 (E_RNA)
where:
Base-Base interactions energy: -1478.784
where: short stacking energy: -604.611
Base-Backbone interact. energy: -5.863
local terms energy: -617.925096
where:
bonds (distance) C4'-P energy: -109.497
bonds (distance) P-C4' energy: -117.964
flat angles C4'-P-C4' energy: -129.480
flat angles P-C4'-P energy: -86.858
tors. eta vs tors. theta energy: -174.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -2064.442983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2064.442983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2064.442983 (E_RNA)
where:
Base-Base interactions energy: -1416.357
where: short stacking energy: -564.185
Base-Backbone interact. energy: -3.971
local terms energy: -644.115680
where:
bonds (distance) C4'-P energy: -121.902
bonds (distance) P-C4' energy: -128.435
flat angles C4'-P-C4' energy: -144.230
flat angles P-C4'-P energy: -83.336
tors. eta vs tors. theta energy: -166.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1938.227107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.227107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.227107 (E_RNA)
where:
Base-Base interactions energy: -1348.305
where: short stacking energy: -560.228
Base-Backbone interact. energy: -0.049
local terms energy: -589.872730
where:
bonds (distance) C4'-P energy: -106.497
bonds (distance) P-C4' energy: -104.855
flat angles C4'-P-C4' energy: -128.198
flat angles P-C4'-P energy: -85.190
tors. eta vs tors. theta energy: -165.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1817.366392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.366392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.366392 (E_RNA)
where:
Base-Base interactions energy: -1237.594
where: short stacking energy: -504.956
Base-Backbone interact. energy: -2.883
local terms energy: -576.888965
where:
bonds (distance) C4'-P energy: -110.392
bonds (distance) P-C4' energy: -114.225
flat angles C4'-P-C4' energy: -119.196
flat angles P-C4'-P energy: -78.151
tors. eta vs tors. theta energy: -154.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1799.319782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.319782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.319782 (E_RNA)
where:
Base-Base interactions energy: -1256.550
where: short stacking energy: -512.915
Base-Backbone interact. energy: -3.988
local terms energy: -538.781737
where:
bonds (distance) C4'-P energy: -91.049
bonds (distance) P-C4' energy: -99.400
flat angles C4'-P-C4' energy: -125.159
flat angles P-C4'-P energy: -76.496
tors. eta vs tors. theta energy: -146.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1647.842021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.842021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.842021 (E_RNA)
where:
Base-Base interactions energy: -1139.236
where: short stacking energy: -472.221
Base-Backbone interact. energy: -0.977
local terms energy: -507.628843
where:
bonds (distance) C4'-P energy: -81.763
bonds (distance) P-C4' energy: -96.022
flat angles C4'-P-C4' energy: -121.615
flat angles P-C4'-P energy: -76.928
tors. eta vs tors. theta energy: -131.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1361.540335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.540335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.540335 (E_RNA)
where:
Base-Base interactions energy: -900.520
where: short stacking energy: -385.643
Base-Backbone interact. energy: 1.410
local terms energy: -462.430464
where:
bonds (distance) C4'-P energy: -84.721
bonds (distance) P-C4' energy: -111.568
flat angles C4'-P-C4' energy: -109.140
flat angles P-C4'-P energy: -74.966
tors. eta vs tors. theta energy: -82.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1102.679888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1102.679888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1102.679888 (E_RNA)
where:
Base-Base interactions energy: -676.362
where: short stacking energy: -307.506
Base-Backbone interact. energy: -0.640
local terms energy: -425.677450
where:
bonds (distance) C4'-P energy: -89.407
bonds (distance) P-C4' energy: -100.530
flat angles C4'-P-C4' energy: -98.854
flat angles P-C4'-P energy: -76.953
tors. eta vs tors. theta energy: -59.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -859.875987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.875987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.875987 (E_RNA)
where:
Base-Base interactions energy: -504.095
where: short stacking energy: -256.263
Base-Backbone interact. energy: -1.088
local terms energy: -354.692828
where:
bonds (distance) C4'-P energy: -76.733
bonds (distance) P-C4' energy: -115.083
flat angles C4'-P-C4' energy: -92.769
flat angles P-C4'-P energy: -46.124
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -446.450039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.450039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.450039 (E_RNA)
where:
Base-Base interactions energy: -166.389
where: short stacking energy: -120.464
Base-Backbone interact. energy: 3.830
local terms energy: -283.891079
where:
bonds (distance) C4'-P energy: -100.691
bonds (distance) P-C4' energy: -89.564
flat angles C4'-P-C4' energy: -85.042
flat angles P-C4'-P energy: -42.086
tors. eta vs tors. theta energy: 33.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -2059.983847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2059.983847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2059.983847 (E_RNA)
where:
Base-Base interactions energy: -1456.809
where: short stacking energy: -578.996
Base-Backbone interact. energy: -1.093
local terms energy: -602.081899
where:
bonds (distance) C4'-P energy: -105.292
bonds (distance) P-C4' energy: -111.871
flat angles C4'-P-C4' energy: -134.975
flat angles P-C4'-P energy: -82.616
tors. eta vs tors. theta energy: -167.328
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: 9
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -2046.517221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2046.517221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2046.517221 (E_RNA)
where:
Base-Base interactions energy: -1427.739
where: short stacking energy: -587.024
Base-Backbone interact. energy: 0.815
local terms energy: -619.592459
where:
bonds (distance) C4'-P energy: -112.114
bonds (distance) P-C4' energy: -115.377
flat angles C4'-P-C4' energy: -133.504
flat angles P-C4'-P energy: -88.831
tors. eta vs tors. theta energy: -169.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -1964.888054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.888054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.888054 (E_RNA)
where:
Base-Base interactions energy: -1369.369
where: short stacking energy: -585.595
Base-Backbone interact. energy: 1.550
local terms energy: -597.068981
where:
bonds (distance) C4'-P energy: -110.543
bonds (distance) P-C4' energy: -111.539
flat angles C4'-P-C4' energy: -132.102
flat angles P-C4'-P energy: -68.353
tors. eta vs tors. theta energy: -174.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1840.087423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.087423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.087423 (E_RNA)
where:
Base-Base interactions energy: -1271.149
where: short stacking energy: -538.134
Base-Backbone interact. energy: -3.409
local terms energy: -565.528522
where:
bonds (distance) C4'-P energy: -115.502
bonds (distance) P-C4' energy: -103.528
flat angles C4'-P-C4' energy: -125.224
flat angles P-C4'-P energy: -69.753
tors. eta vs tors. theta energy: -151.522
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: 8
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1770.220388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.220388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.220388 (E_RNA)
where:
Base-Base interactions energy: -1199.609
where: short stacking energy: -497.219
Base-Backbone interact. energy: -1.680
local terms energy: -568.931312
where:
bonds (distance) C4'-P energy: -91.496
bonds (distance) P-C4' energy: -113.620
flat angles C4'-P-C4' energy: -117.071
flat angles P-C4'-P energy: -84.101
tors. eta vs tors. theta energy: -162.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1654.071807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.071807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.071807 (E_RNA)
where:
Base-Base interactions energy: -1129.005
where: short stacking energy: -458.675
Base-Backbone interact. energy: -3.103
local terms energy: -521.963748
where:
bonds (distance) C4'-P energy: -94.849
bonds (distance) P-C4' energy: -111.336
flat angles C4'-P-C4' energy: -118.835
flat angles P-C4'-P energy: -67.999
tors. eta vs tors. theta energy: -128.944
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: 10
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1396.850757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.850757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.850757 (E_RNA)
where:
Base-Base interactions energy: -919.925
where: short stacking energy: -418.281
Base-Backbone interact. energy: -2.890
local terms energy: -474.035943
where:
bonds (distance) C4'-P energy: -93.406
bonds (distance) P-C4' energy: -109.734
flat angles C4'-P-C4' energy: -100.920
flat angles P-C4'-P energy: -59.438
tors. eta vs tors. theta energy: -110.539
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: 479
Temperature: 1.250000
Total energy: -1091.029212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.029212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.029212 (E_RNA)
where:
Base-Base interactions energy: -690.516
where: short stacking energy: -338.042
Base-Backbone interact. energy: -0.988
local terms energy: -399.525794
where:
bonds (distance) C4'-P energy: -98.273
bonds (distance) P-C4' energy: -100.317
flat angles C4'-P-C4' energy: -82.954
flat angles P-C4'-P energy: -59.169
tors. eta vs tors. theta energy: -58.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -885.920378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.920378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.920378 (E_RNA)
where:
Base-Base interactions energy: -523.582
where: short stacking energy: -227.332
Base-Backbone interact. energy: 5.226
local terms energy: -367.565210
where:
bonds (distance) C4'-P energy: -94.844
bonds (distance) P-C4' energy: -91.794
flat angles C4'-P-C4' energy: -97.154
flat angles P-C4'-P energy: -61.150
tors. eta vs tors. theta energy: -22.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -469.708137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.708137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.708137 (E_RNA)
where:
Base-Base interactions energy: -196.679
where: short stacking energy: -151.416
Base-Backbone interact. energy: -2.072
local terms energy: -270.957602
where:
bonds (distance) C4'-P energy: -59.505
bonds (distance) P-C4' energy: -82.423
flat angles C4'-P-C4' energy: -98.744
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: 15.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -2067.862392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2067.862392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2067.862392 (E_RNA)
where:
Base-Base interactions energy: -1430.435
where: short stacking energy: -608.053
Base-Backbone interact. energy: -1.052
local terms energy: -636.374795
where:
bonds (distance) C4'-P energy: -113.532
bonds (distance) P-C4' energy: -120.614
flat angles C4'-P-C4' energy: -130.106
flat angles P-C4'-P energy: -91.127
tors. eta vs tors. theta energy: -180.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1998.470926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.470926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.470926 (E_RNA)
where:
Base-Base interactions energy: -1380.196
where: short stacking energy: -594.204
Base-Backbone interact. energy: -4.657
local terms energy: -613.618583
where:
bonds (distance) C4'-P energy: -119.429
bonds (distance) P-C4' energy: -102.095
flat angles C4'-P-C4' energy: -137.829
flat angles P-C4'-P energy: -81.989
tors. eta vs tors. theta energy: -172.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1940.390722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.390722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.390722 (E_RNA)
where:
Base-Base interactions energy: -1332.222
where: short stacking energy: -555.930
Base-Backbone interact. energy: -0.965
local terms energy: -607.204048
where:
bonds (distance) C4'-P energy: -105.237
bonds (distance) P-C4' energy: -128.498
flat angles C4'-P-C4' energy: -124.502
flat angles P-C4'-P energy: -84.797
tors. eta vs tors. theta energy: -164.171
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: 480
Temperature: 1.050000
Total energy: -1808.256083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.256083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.256083 (E_RNA)
where:
Base-Base interactions energy: -1229.227
where: short stacking energy: -538.892
Base-Backbone interact. energy: 0.173
local terms energy: -579.201804
where:
bonds (distance) C4'-P energy: -98.065
bonds (distance) P-C4' energy: -105.943
flat angles C4'-P-C4' energy: -126.085
flat angles P-C4'-P energy: -89.851
tors. eta vs tors. theta energy: -159.256
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: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1822.555198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.555198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.555198 (E_RNA)
where:
Base-Base interactions energy: -1249.585
where: short stacking energy: -533.635
Base-Backbone interact. energy: -1.518
local terms energy: -571.452160
where:
bonds (distance) C4'-P energy: -91.329
bonds (distance) P-C4' energy: -103.192
flat angles C4'-P-C4' energy: -118.354
flat angles P-C4'-P energy: -86.718
tors. eta vs tors. theta energy: -171.859
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: 5
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1684.068073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.068073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.068073 (E_RNA)
where:
Base-Base interactions energy: -1126.192
where: short stacking energy: -471.563
Base-Backbone interact. energy: -1.204
local terms energy: -556.671964
where:
bonds (distance) C4'-P energy: -107.684
bonds (distance) P-C4' energy: -112.377
flat angles C4'-P-C4' energy: -130.900
flat angles P-C4'-P energy: -68.051
tors. eta vs tors. theta energy: -137.661
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: 10
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -1408.738172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.738172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.738172 (E_RNA)
where:
Base-Base interactions energy: -929.609
where: short stacking energy: -414.276
Base-Backbone interact. energy: -1.792
local terms energy: -477.337282
where:
bonds (distance) C4'-P energy: -100.216
bonds (distance) P-C4' energy: -112.070
flat angles C4'-P-C4' energy: -106.313
flat angles P-C4'-P energy: -65.956
tors. eta vs tors. theta energy: -92.782
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: 480
Temperature: 1.250000
Total energy: -1046.295853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.295853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.295853 (E_RNA)
where:
Base-Base interactions energy: -649.596
where: short stacking energy: -317.876
Base-Backbone interact. energy: 6.177
local terms energy: -402.877003
where:
bonds (distance) C4'-P energy: -92.001
bonds (distance) P-C4' energy: -92.661
flat angles C4'-P-C4' energy: -98.579
flat angles P-C4'-P energy: -43.628
tors. eta vs tors. theta energy: -76.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -859.061707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.061707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.061707 (E_RNA)
where:
Base-Base interactions energy: -527.487
where: short stacking energy: -223.131
Base-Backbone interact. energy: -0.973
local terms energy: -330.601423
where:
bonds (distance) C4'-P energy: -102.848
bonds (distance) P-C4' energy: -85.178
flat angles C4'-P-C4' energy: -83.634
flat angles P-C4'-P energy: -40.209
tors. eta vs tors. theta energy: -18.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -537.070314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.070314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.070314 (E_RNA)
where:
Base-Base interactions energy: -236.113
where: short stacking energy: -137.506
Base-Backbone interact. energy: 0.295
local terms energy: -301.253218
where:
bonds (distance) C4'-P energy: -81.473
bonds (distance) P-C4' energy: -86.968
flat angles C4'-P-C4' energy: -84.920
flat angles P-C4'-P energy: -51.550
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: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -2071.937535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2071.937535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2071.937535 (E_RNA)
where:
Base-Base interactions energy: -1466.031
where: short stacking energy: -578.869
Base-Backbone interact. energy: -1.074
local terms energy: -604.832877
where:
bonds (distance) C4'-P energy: -105.571
bonds (distance) P-C4' energy: -122.613
flat angles C4'-P-C4' energy: -120.916
flat angles P-C4'-P energy: -81.429
tors. eta vs tors. theta energy: -174.305
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: 9
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -2038.436548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2038.436548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2038.436548 (E_RNA)
where:
Base-Base interactions energy: -1420.251
where: short stacking energy: -588.401
Base-Backbone interact. energy: 0.816
local terms energy: -619.001498
where:
bonds (distance) C4'-P energy: -119.639
bonds (distance) P-C4' energy: -109.123
flat angles C4'-P-C4' energy: -129.507
flat angles P-C4'-P energy: -92.692
tors. eta vs tors. theta energy: -168.040
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: 6
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1963.926429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.926429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.926429 (E_RNA)
where:
Base-Base interactions energy: -1361.595
where: short stacking energy: -583.168
Base-Backbone interact. energy: -1.788
local terms energy: -600.543773
where:
bonds (distance) C4'-P energy: -107.821
bonds (distance) P-C4' energy: -99.273
flat angles C4'-P-C4' energy: -130.614
flat angles P-C4'-P energy: -93.858
tors. eta vs tors. theta energy: -168.978
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: 1
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1834.316198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.316198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.316198 (E_RNA)
where:
Base-Base interactions energy: -1271.130
where: short stacking energy: -535.385
Base-Backbone interact. energy: -2.366
local terms energy: -560.819850
where:
bonds (distance) C4'-P energy: -106.928
bonds (distance) P-C4' energy: -99.560
flat angles C4'-P-C4' energy: -128.778
flat angles P-C4'-P energy: -76.525
tors. eta vs tors. theta energy: -149.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1797.507112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.507112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.507112 (E_RNA)
where:
Base-Base interactions energy: -1241.415
where: short stacking energy: -535.820
Base-Backbone interact. energy: -1.409
local terms energy: -554.683130
where:
bonds (distance) C4'-P energy: -97.117
bonds (distance) P-C4' energy: -99.344
flat angles C4'-P-C4' energy: -126.442
flat angles P-C4'-P energy: -78.817
tors. eta vs tors. theta energy: -152.964
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: 6, replica: 5
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1622.711723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.711723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.711723 (E_RNA)
where:
Base-Base interactions energy: -1113.059
where: short stacking energy: -458.046
Base-Backbone interact. energy: 1.684
local terms energy: -511.336807
where:
bonds (distance) C4'-P energy: -94.631
bonds (distance) P-C4' energy: -103.937
flat angles C4'-P-C4' energy: -111.559
flat angles P-C4'-P energy: -76.356
tors. eta vs tors. theta energy: -124.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1374.893358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.893358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.893358 (E_RNA)
where:
Base-Base interactions energy: -899.281
where: short stacking energy: -408.670
Base-Backbone interact. energy: -0.992
local terms energy: -474.619957
where:
bonds (distance) C4'-P energy: -101.738
bonds (distance) P-C4' energy: -96.158
flat angles C4'-P-C4' energy: -110.862
flat angles P-C4'-P energy: -71.618
tors. eta vs tors. theta energy: -94.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1082.917493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1082.917493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1082.917493 (E_RNA)
where:
Base-Base interactions energy: -667.035
where: short stacking energy: -304.268
Base-Backbone interact. energy: 1.718
local terms energy: -417.601124
where:
bonds (distance) C4'-P energy: -106.252
bonds (distance) P-C4' energy: -101.314
flat angles C4'-P-C4' energy: -98.250
flat angles P-C4'-P energy: -54.574
tors. eta vs tors. theta energy: -57.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -789.523085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.523085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.523085 (E_RNA)
where:
Base-Base interactions energy: -402.747
where: short stacking energy: -214.454
Base-Backbone interact. energy: 0.369
local terms energy: -387.145032
where:
bonds (distance) C4'-P energy: -106.099
bonds (distance) P-C4' energy: -100.483
flat angles C4'-P-C4' energy: -83.907
flat angles P-C4'-P energy: -56.018
tors. eta vs tors. theta energy: -40.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -535.203474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.203474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.203474 (E_RNA)
where:
Base-Base interactions energy: -243.485
where: short stacking energy: -152.865
Base-Backbone interact. energy: 0.390
local terms energy: -292.108354
where:
bonds (distance) C4'-P energy: -67.741
bonds (distance) P-C4' energy: -109.334
flat angles C4'-P-C4' energy: -78.732
flat angles P-C4'-P energy: -38.705
tors. eta vs tors. theta energy: 2.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -2075.716481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2075.716481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2075.716481 (E_RNA)
where:
Base-Base interactions energy: -1455.280
where: short stacking energy: -574.925
Base-Backbone interact. energy: -1.519
local terms energy: -618.916837
where:
bonds (distance) C4'-P energy: -116.219
bonds (distance) P-C4' energy: -118.847
flat angles C4'-P-C4' energy: -132.378
flat angles P-C4'-P energy: -76.648
tors. eta vs tors. theta energy: -174.825
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: 2, replica: 9
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -2041.401298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2041.401298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2041.401298 (E_RNA)
where:
Base-Base interactions energy: -1440.601
where: short stacking energy: -590.897
Base-Backbone interact. energy: 1.931
local terms energy: -602.731721
where:
bonds (distance) C4'-P energy: -104.991
bonds (distance) P-C4' energy: -103.559
flat angles C4'-P-C4' energy: -133.457
flat angles P-C4'-P energy: -94.552
tors. eta vs tors. theta energy: -166.173
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: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1942.510308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.510308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.510308 (E_RNA)
where:
Base-Base interactions energy: -1376.902
where: short stacking energy: -560.994
Base-Backbone interact. energy: -0.615
local terms energy: -564.993432
where:
bonds (distance) C4'-P energy: -104.448
bonds (distance) P-C4' energy: -96.635
flat angles C4'-P-C4' energy: -128.184
flat angles P-C4'-P energy: -77.912
tors. eta vs tors. theta energy: -157.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1806.772486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.772486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.772486 (E_RNA)
where:
Base-Base interactions energy: -1243.692
where: short stacking energy: -511.882
Base-Backbone interact. energy: 6.405
local terms energy: -569.485902
where:
bonds (distance) C4'-P energy: -97.664
bonds (distance) P-C4' energy: -113.603
flat angles C4'-P-C4' energy: -125.213
flat angles P-C4'-P energy: -77.191
tors. eta vs tors. theta energy: -155.815
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: 8
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1763.249831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.249831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.249831 (E_RNA)
where:
Base-Base interactions energy: -1231.306
where: short stacking energy: -509.362
Base-Backbone interact. energy: -2.261
local terms energy: -529.683085
where:
bonds (distance) C4'-P energy: -92.144
bonds (distance) P-C4' energy: -84.030
flat angles C4'-P-C4' energy: -118.864
flat angles P-C4'-P energy: -79.214
tors. eta vs tors. theta energy: -155.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1620.401851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.401851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.401851 (E_RNA)
where:
Base-Base interactions energy: -1094.087
where: short stacking energy: -476.407
Base-Backbone interact. energy: -3.375
local terms energy: -522.939627
where:
bonds (distance) C4'-P energy: -96.770
bonds (distance) P-C4' energy: -102.613
flat angles C4'-P-C4' energy: -117.837
flat angles P-C4'-P energy: -76.664
tors. eta vs tors. theta energy: -129.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1366.261662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.261662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.261662 (E_RNA)
where:
Base-Base interactions energy: -899.914
where: short stacking energy: -395.401
Base-Backbone interact. energy: -1.629
local terms energy: -464.718786
where:
bonds (distance) C4'-P energy: -94.367
bonds (distance) P-C4' energy: -110.242
flat angles C4'-P-C4' energy: -110.710
flat angles P-C4'-P energy: -60.459
tors. eta vs tors. theta energy: -88.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1090.118241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.118241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.118241 (E_RNA)
where:
Base-Base interactions energy: -702.546
where: short stacking energy: -303.308
Base-Backbone interact. energy: 0.425
local terms energy: -387.998058
where:
bonds (distance) C4'-P energy: -92.839
bonds (distance) P-C4' energy: -92.544
flat angles C4'-P-C4' energy: -91.495
flat angles P-C4'-P energy: -61.916
tors. eta vs tors. theta energy: -49.204
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: 9, replica: 2
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -759.463757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.463757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.463757 (E_RNA)
where:
Base-Base interactions energy: -420.903
where: short stacking energy: -207.852
Base-Backbone interact. energy: 0.790
local terms energy: -339.351071
where:
bonds (distance) C4'-P energy: -89.664
bonds (distance) P-C4' energy: -95.707
flat angles C4'-P-C4' energy: -94.177
flat angles P-C4'-P energy: -54.136
tors. eta vs tors. theta energy: -5.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -536.350273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.350273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.350273 (E_RNA)
where:
Base-Base interactions energy: -232.660
where: short stacking energy: -152.057
Base-Backbone interact. energy: -0.710
local terms energy: -302.980025
where:
bonds (distance) C4'-P energy: -86.832
bonds (distance) P-C4' energy: -91.470
flat angles C4'-P-C4' energy: -96.413
flat angles P-C4'-P energy: -28.930
tors. eta vs tors. theta energy: 0.664
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: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -2091.366214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2091.366214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2091.366214 (E_RNA)
where:
Base-Base interactions energy: -1470.265
where: short stacking energy: -606.857
Base-Backbone interact. energy: -2.008
local terms energy: -619.092745
where:
bonds (distance) C4'-P energy: -106.846
bonds (distance) P-C4' energy: -117.729
flat angles C4'-P-C4' energy: -131.727
flat angles P-C4'-P energy: -85.446
tors. eta vs tors. theta energy: -177.346
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: 483
Temperature: 0.950000
Total energy: -2070.706411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2070.706411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2070.706411 (E_RNA)
where:
Base-Base interactions energy: -1458.872
where: short stacking energy: -598.367
Base-Backbone interact. energy: 1.297
local terms energy: -613.131235
where:
bonds (distance) C4'-P energy: -115.342
bonds (distance) P-C4' energy: -110.879
flat angles C4'-P-C4' energy: -126.991
flat angles P-C4'-P energy: -86.507
tors. eta vs tors. theta energy: -173.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1909.732974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.732974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.732974 (E_RNA)
where:
Base-Base interactions energy: -1326.441
where: short stacking energy: -551.576
Base-Backbone interact. energy: -3.493
local terms energy: -579.798833
where:
bonds (distance) C4'-P energy: -109.785
bonds (distance) P-C4' energy: -97.039
flat angles C4'-P-C4' energy: -121.711
flat angles P-C4'-P energy: -91.159
tors. eta vs tors. theta energy: -160.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1766.061417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.061417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.061417 (E_RNA)
where:
Base-Base interactions energy: -1226.145
where: short stacking energy: -505.934
Base-Backbone interact. energy: -0.877
local terms energy: -539.038997
where:
bonds (distance) C4'-P energy: -100.364
bonds (distance) P-C4' energy: -105.016
flat angles C4'-P-C4' energy: -116.622
flat angles P-C4'-P energy: -78.413
tors. eta vs tors. theta energy: -138.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1777.400479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.400479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.400479 (E_RNA)
where:
Base-Base interactions energy: -1216.323
where: short stacking energy: -515.171
Base-Backbone interact. energy: 0.393
local terms energy: -561.471357
where:
bonds (distance) C4'-P energy: -107.206
bonds (distance) P-C4' energy: -107.833
flat angles C4'-P-C4' energy: -121.344
flat angles P-C4'-P energy: -78.609
tors. eta vs tors. theta energy: -146.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1606.814551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.814551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.814551 (E_RNA)
where:
Base-Base interactions energy: -1080.126
where: short stacking energy: -464.570
Base-Backbone interact. energy: 0.444
local terms energy: -527.132657
where:
bonds (distance) C4'-P energy: -105.528
bonds (distance) P-C4' energy: -107.373
flat angles C4'-P-C4' energy: -115.201
flat angles P-C4'-P energy: -73.823
tors. eta vs tors. theta energy: -125.207
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: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -1407.528713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.528713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.528713 (E_RNA)
where:
Base-Base interactions energy: -915.109
where: short stacking energy: -392.259
Base-Backbone interact. energy: -1.954
local terms energy: -490.465490
where:
bonds (distance) C4'-P energy: -94.799
bonds (distance) P-C4' energy: -113.500
flat angles C4'-P-C4' energy: -118.323
flat angles P-C4'-P energy: -63.535
tors. eta vs tors. theta energy: -100.308
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: 483
Temperature: 1.250000
Total energy: -1100.960322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.960322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.960322 (E_RNA)
where:
Base-Base interactions energy: -706.844
where: short stacking energy: -344.018
Base-Backbone interact. energy: -0.518
local terms energy: -393.598852
where:
bonds (distance) C4'-P energy: -92.627
bonds (distance) P-C4' energy: -94.285
flat angles C4'-P-C4' energy: -98.858
flat angles P-C4'-P energy: -50.647
tors. eta vs tors. theta energy: -57.182
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: 2
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -790.342839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.342839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.342839 (E_RNA)
where:
Base-Base interactions energy: -426.037
where: short stacking energy: -209.885
Base-Backbone interact. energy: -0.730
local terms energy: -363.575984
where:
bonds (distance) C4'-P energy: -87.501
bonds (distance) P-C4' energy: -78.735
flat angles C4'-P-C4' energy: -97.351
flat angles P-C4'-P energy: -71.430
tors. eta vs tors. theta energy: -28.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -516.397064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.397064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.397064 (E_RNA)
where:
Base-Base interactions energy: -243.441
where: short stacking energy: -162.257
Base-Backbone interact. energy: 0.138
local terms energy: -273.093830
where:
bonds (distance) C4'-P energy: -90.910
bonds (distance) P-C4' energy: -102.494
flat angles C4'-P-C4' energy: -69.300
flat angles P-C4'-P energy: -36.388
tors. eta vs tors. theta energy: 25.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -2099.688181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2099.688181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2099.688181 (E_RNA)
where:
Base-Base interactions energy: -1462.137
where: short stacking energy: -611.250
Base-Backbone interact. energy: -0.069
local terms energy: -637.481994
where:
bonds (distance) C4'-P energy: -118.907
bonds (distance) P-C4' energy: -114.462
flat angles C4'-P-C4' energy: -138.537
flat angles P-C4'-P energy: -89.952
tors. eta vs tors. theta energy: -175.624
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: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -2025.532726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2025.532726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2025.532726 (E_RNA)
where:
Base-Base interactions energy: -1430.406
where: short stacking energy: -595.819
Base-Backbone interact. energy: -2.227
local terms energy: -592.900280
where:
bonds (distance) C4'-P energy: -116.939
bonds (distance) P-C4' energy: -96.705
flat angles C4'-P-C4' energy: -127.116
flat angles P-C4'-P energy: -74.903
tors. eta vs tors. theta energy: -177.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1930.497275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.497275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.497275 (E_RNA)
where:
Base-Base interactions energy: -1345.991
where: short stacking energy: -590.566
Base-Backbone interact. energy: -2.221
local terms energy: -582.285428
where:
bonds (distance) C4'-P energy: -102.098
bonds (distance) P-C4' energy: -101.225
flat angles C4'-P-C4' energy: -124.123
flat angles P-C4'-P energy: -84.490
tors. eta vs tors. theta energy: -170.348
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: 484
Temperature: 1.050000
Total energy: -1797.412678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.412678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.412678 (E_RNA)
where:
Base-Base interactions energy: -1219.507
where: short stacking energy: -520.684
Base-Backbone interact. energy: -2.041
local terms energy: -575.865164
where:
bonds (distance) C4'-P energy: -108.092
bonds (distance) P-C4' energy: -119.243
flat angles C4'-P-C4' energy: -118.251
flat angles P-C4'-P energy: -82.709
tors. eta vs tors. theta energy: -147.570
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: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1779.340003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.340003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.340003 (E_RNA)
where:
Base-Base interactions energy: -1220.918
where: short stacking energy: -503.597
Base-Backbone interact. energy: -3.682
local terms energy: -554.740063
where:
bonds (distance) C4'-P energy: -114.563
bonds (distance) P-C4' energy: -89.679
flat angles C4'-P-C4' energy: -117.294
flat angles P-C4'-P energy: -76.800
tors. eta vs tors. theta energy: -156.404
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: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1654.458892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.458892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.458892 (E_RNA)
where:
Base-Base interactions energy: -1123.181
where: short stacking energy: -504.735
Base-Backbone interact. energy: -1.910
local terms energy: -529.367227
where:
bonds (distance) C4'-P energy: -96.972
bonds (distance) P-C4' energy: -110.575
flat angles C4'-P-C4' energy: -102.855
flat angles P-C4'-P energy: -76.418
tors. eta vs tors. theta energy: -142.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1361.841802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.841802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.841802 (E_RNA)
where:
Base-Base interactions energy: -884.523
where: short stacking energy: -405.133
Base-Backbone interact. energy: -2.729
local terms energy: -474.589767
where:
bonds (distance) C4'-P energy: -91.630
bonds (distance) P-C4' energy: -111.457
flat angles C4'-P-C4' energy: -110.630
flat angles P-C4'-P energy: -67.219
tors. eta vs tors. theta energy: -93.653
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: 484
Temperature: 1.250000
Total energy: -1089.237939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.237939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.237939 (E_RNA)
where:
Base-Base interactions energy: -686.555
where: short stacking energy: -300.281
Base-Backbone interact. energy: 1.957
local terms energy: -404.640411
where:
bonds (distance) C4'-P energy: -80.674
bonds (distance) P-C4' energy: -110.806
flat angles C4'-P-C4' energy: -85.790
flat angles P-C4'-P energy: -81.046
tors. eta vs tors. theta energy: -46.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -797.907598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.907598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.907598 (E_RNA)
where:
Base-Base interactions energy: -447.380
where: short stacking energy: -226.064
Base-Backbone interact. energy: -3.870
local terms energy: -346.657864
where:
bonds (distance) C4'-P energy: -81.317
bonds (distance) P-C4' energy: -88.358
flat angles C4'-P-C4' energy: -102.276
flat angles P-C4'-P energy: -60.018
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -526.692490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.692490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.692490 (E_RNA)
where:
Base-Base interactions energy: -250.312
where: short stacking energy: -164.502
Base-Backbone interact. energy: 2.576
local terms energy: -278.956578
where:
bonds (distance) C4'-P energy: -105.181
bonds (distance) P-C4' energy: -76.451
flat angles C4'-P-C4' energy: -64.801
flat angles P-C4'-P energy: -46.815
tors. eta vs tors. theta energy: 14.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -2106.741937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.741937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.741937 (E_RNA)
where:
Base-Base interactions energy: -1481.884
where: short stacking energy: -628.322
Base-Backbone interact. energy: -2.263
local terms energy: -622.595198
where:
bonds (distance) C4'-P energy: -116.617
bonds (distance) P-C4' energy: -115.872
flat angles C4'-P-C4' energy: -136.170
flat angles P-C4'-P energy: -81.471
tors. eta vs tors. theta energy: -172.465
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: 2, replica: 7
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -2044.675197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2044.675197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2044.675197 (E_RNA)
where:
Base-Base interactions energy: -1413.954
where: short stacking energy: -596.697
Base-Backbone interact. energy: -1.330
local terms energy: -629.391098
where:
bonds (distance) C4'-P energy: -117.716
bonds (distance) P-C4' energy: -119.054
flat angles C4'-P-C4' energy: -130.750
flat angles P-C4'-P energy: -83.337
tors. eta vs tors. theta energy: -178.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1917.964702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.964702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.964702 (E_RNA)
where:
Base-Base interactions energy: -1333.921
where: short stacking energy: -579.328
Base-Backbone interact. energy: -2.248
local terms energy: -581.795640
where:
bonds (distance) C4'-P energy: -107.260
bonds (distance) P-C4' energy: -96.304
flat angles C4'-P-C4' energy: -135.613
flat angles P-C4'-P energy: -83.797
tors. eta vs tors. theta energy: -158.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1808.391487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.391487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.391487 (E_RNA)
where:
Base-Base interactions energy: -1260.684
where: short stacking energy: -513.495
Base-Backbone interact. energy: -0.936
local terms energy: -546.771164
where:
bonds (distance) C4'-P energy: -115.901
bonds (distance) P-C4' energy: -107.836
flat angles C4'-P-C4' energy: -116.234
flat angles P-C4'-P energy: -69.132
tors. eta vs tors. theta energy: -137.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1742.337987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.337987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.337987 (E_RNA)
where:
Base-Base interactions energy: -1198.138
where: short stacking energy: -503.756
Base-Backbone interact. energy: -4.413
local terms energy: -539.786671
where:
bonds (distance) C4'-P energy: -99.753
bonds (distance) P-C4' energy: -95.094
flat angles C4'-P-C4' energy: -117.511
flat angles P-C4'-P energy: -82.920
tors. eta vs tors. theta energy: -144.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1654.764696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.764696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.764696 (E_RNA)
where:
Base-Base interactions energy: -1106.040
where: short stacking energy: -497.337
Base-Backbone interact. energy: 0.757
local terms energy: -549.481408
where:
bonds (distance) C4'-P energy: -97.621
bonds (distance) P-C4' energy: -99.018
flat angles C4'-P-C4' energy: -124.803
flat angles P-C4'-P energy: -82.127
tors. eta vs tors. theta energy: -145.912
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: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1345.515092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.515092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.515092 (E_RNA)
where:
Base-Base interactions energy: -864.545
where: short stacking energy: -405.579
Base-Backbone interact. energy: -0.709
local terms energy: -480.260555
where:
bonds (distance) C4'-P energy: -94.162
bonds (distance) P-C4' energy: -105.113
flat angles C4'-P-C4' energy: -106.628
flat angles P-C4'-P energy: -64.608
tors. eta vs tors. theta energy: -109.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1106.589973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.589973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.589973 (E_RNA)
where:
Base-Base interactions energy: -675.190
where: short stacking energy: -324.017
Base-Backbone interact. energy: -0.949
local terms energy: -430.451119
where:
bonds (distance) C4'-P energy: -101.463
bonds (distance) P-C4' energy: -100.092
flat angles C4'-P-C4' energy: -97.221
flat angles P-C4'-P energy: -71.660
tors. eta vs tors. theta energy: -60.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -810.553354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.553354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.553354 (E_RNA)
where:
Base-Base interactions energy: -460.917
where: short stacking energy: -237.348
Base-Backbone interact. energy: -3.481
local terms energy: -346.155738
where:
bonds (distance) C4'-P energy: -83.661
bonds (distance) P-C4' energy: -101.338
flat angles C4'-P-C4' energy: -100.530
flat angles P-C4'-P energy: -43.455
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -520.553397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.553397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.553397 (E_RNA)
where:
Base-Base interactions energy: -226.449
where: short stacking energy: -133.042
Base-Backbone interact. energy: -0.082
local terms energy: -294.021931
where:
bonds (distance) C4'-P energy: -102.943
bonds (distance) P-C4' energy: -97.390
flat angles C4'-P-C4' energy: -70.970
flat angles P-C4'-P energy: -41.287
tors. eta vs tors. theta energy: 18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -2111.283181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2111.283181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2111.283181 (E_RNA)
where:
Base-Base interactions energy: -1484.100
where: short stacking energy: -610.833
Base-Backbone interact. energy: -2.554
local terms energy: -624.628667
where:
bonds (distance) C4'-P energy: -111.201
bonds (distance) P-C4' energy: -123.954
flat angles C4'-P-C4' energy: -126.679
flat angles P-C4'-P energy: -86.501
tors. eta vs tors. theta energy: -176.293
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: 2, replica: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -2019.509703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2019.509703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2019.509703 (E_RNA)
where:
Base-Base interactions energy: -1405.304
where: short stacking energy: -583.931
Base-Backbone interact. energy: -1.946
local terms energy: -612.259730
where:
bonds (distance) C4'-P energy: -113.199
bonds (distance) P-C4' energy: -102.607
flat angles C4'-P-C4' energy: -134.832
flat angles P-C4'-P energy: -81.082
tors. eta vs tors. theta energy: -180.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1920.639587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.639587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.639587 (E_RNA)
where:
Base-Base interactions energy: -1347.668
where: short stacking energy: -555.531
Base-Backbone interact. energy: -1.756
local terms energy: -571.214876
where:
bonds (distance) C4'-P energy: -104.265
bonds (distance) P-C4' energy: -105.151
flat angles C4'-P-C4' energy: -131.654
flat angles P-C4'-P energy: -66.425
tors. eta vs tors. theta energy: -163.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1828.868797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.868797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.868797 (E_RNA)
where:
Base-Base interactions energy: -1269.389
where: short stacking energy: -511.289
Base-Backbone interact. energy: -3.409
local terms energy: -556.070305
where:
bonds (distance) C4'-P energy: -96.779
bonds (distance) P-C4' energy: -110.204
flat angles C4'-P-C4' energy: -124.444
flat angles P-C4'-P energy: -74.803
tors. eta vs tors. theta energy: -149.841
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: 1
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1717.346373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.346373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.346373 (E_RNA)
where:
Base-Base interactions energy: -1171.205
where: short stacking energy: -493.257
Base-Backbone interact. energy: -2.128
local terms energy: -544.013563
where:
bonds (distance) C4'-P energy: -104.852
bonds (distance) P-C4' energy: -99.940
flat angles C4'-P-C4' energy: -118.995
flat angles P-C4'-P energy: -82.396
tors. eta vs tors. theta energy: -137.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1657.517289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.517289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.517289 (E_RNA)
where:
Base-Base interactions energy: -1111.575
where: short stacking energy: -486.613
Base-Backbone interact. energy: -2.634
local terms energy: -543.308210
where:
bonds (distance) C4'-P energy: -98.287
bonds (distance) P-C4' energy: -112.242
flat angles C4'-P-C4' energy: -119.028
flat angles P-C4'-P energy: -78.844
tors. eta vs tors. theta energy: -134.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1343.851120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.851120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.851120 (E_RNA)
where:
Base-Base interactions energy: -874.135
where: short stacking energy: -391.560
Base-Backbone interact. energy: -1.846
local terms energy: -467.870996
where:
bonds (distance) C4'-P energy: -76.311
bonds (distance) P-C4' energy: -109.706
flat angles C4'-P-C4' energy: -104.656
flat angles P-C4'-P energy: -73.414
tors. eta vs tors. theta energy: -103.784
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: 486
Temperature: 1.250000
Total energy: -1084.024313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.024313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.024313 (E_RNA)
where:
Base-Base interactions energy: -671.493
where: short stacking energy: -298.227
Base-Backbone interact. energy: 5.238
local terms energy: -417.768820
where:
bonds (distance) C4'-P energy: -97.174
bonds (distance) P-C4' energy: -95.280
flat angles C4'-P-C4' energy: -108.832
flat angles P-C4'-P energy: -66.068
tors. eta vs tors. theta energy: -50.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -750.973868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.973868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.973868 (E_RNA)
where:
Base-Base interactions energy: -393.810
where: short stacking energy: -201.844
Base-Backbone interact. energy: -2.076
local terms energy: -355.088705
where:
bonds (distance) C4'-P energy: -116.237
bonds (distance) P-C4' energy: -93.814
flat angles C4'-P-C4' energy: -85.781
flat angles P-C4'-P energy: -61.001
tors. eta vs tors. theta energy: 1.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -512.227399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.227399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.227399 (E_RNA)
where:
Base-Base interactions energy: -212.250
where: short stacking energy: -132.441
Base-Backbone interact. energy: -1.132
local terms energy: -298.846153
where:
bonds (distance) C4'-P energy: -83.239
bonds (distance) P-C4' energy: -95.125
flat angles C4'-P-C4' energy: -97.341
flat angles P-C4'-P energy: -47.826
tors. eta vs tors. theta energy: 24.685
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: 9
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -2101.569385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2101.569385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2101.569385 (E_RNA)
where:
Base-Base interactions energy: -1473.003
where: short stacking energy: -617.191
Base-Backbone interact. energy: -1.563
local terms energy: -627.003889
where:
bonds (distance) C4'-P energy: -118.814
bonds (distance) P-C4' energy: -116.579
flat angles C4'-P-C4' energy: -134.444
flat angles P-C4'-P energy: -82.067
tors. eta vs tors. theta energy: -175.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -2052.750667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2052.750667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2052.750667 (E_RNA)
where:
Base-Base interactions energy: -1421.696
where: short stacking energy: -588.497
Base-Backbone interact. energy: -1.706
local terms energy: -629.349350
where:
bonds (distance) C4'-P energy: -103.519
bonds (distance) P-C4' energy: -121.040
flat angles C4'-P-C4' energy: -133.776
flat angles P-C4'-P energy: -95.987
tors. eta vs tors. theta energy: -175.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1904.477508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.477508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.477508 (E_RNA)
where:
Base-Base interactions energy: -1288.722
where: short stacking energy: -528.415
Base-Backbone interact. energy: -3.190
local terms energy: -612.565276
where:
bonds (distance) C4'-P energy: -113.895
bonds (distance) P-C4' energy: -120.030
flat angles C4'-P-C4' energy: -134.668
flat angles P-C4'-P energy: -83.026
tors. eta vs tors. theta energy: -160.946
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: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -1824.428697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.428697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.428697 (E_RNA)
where:
Base-Base interactions energy: -1270.432
where: short stacking energy: -549.253
Base-Backbone interact. energy: 0.721
local terms energy: -554.717176
where:
bonds (distance) C4'-P energy: -100.462
bonds (distance) P-C4' energy: -112.179
flat angles C4'-P-C4' energy: -117.725
flat angles P-C4'-P energy: -65.815
tors. eta vs tors. theta energy: -158.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1727.596147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.596147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.596147 (E_RNA)
where:
Base-Base interactions energy: -1179.666
where: short stacking energy: -504.137
Base-Backbone interact. energy: -4.603
local terms energy: -543.327724
where:
bonds (distance) C4'-P energy: -83.012
bonds (distance) P-C4' energy: -113.770
flat angles C4'-P-C4' energy: -121.053
flat angles P-C4'-P energy: -87.377
tors. eta vs tors. theta energy: -138.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1597.216459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.216459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.216459 (E_RNA)
where:
Base-Base interactions energy: -1069.276
where: short stacking energy: -463.501
Base-Backbone interact. energy: -1.364
local terms energy: -526.576469
where:
bonds (distance) C4'-P energy: -103.413
bonds (distance) P-C4' energy: -110.758
flat angles C4'-P-C4' energy: -122.035
flat angles P-C4'-P energy: -65.391
tors. eta vs tors. theta energy: -124.979
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: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -1366.324720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.324720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.324720 (E_RNA)
where:
Base-Base interactions energy: -914.794
where: short stacking energy: -403.060
Base-Backbone interact. energy: 1.916
local terms energy: -453.446756
where:
bonds (distance) C4'-P energy: -93.785
bonds (distance) P-C4' energy: -93.836
flat angles C4'-P-C4' energy: -106.359
flat angles P-C4'-P energy: -68.924
tors. eta vs tors. theta energy: -90.542
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: 487
Temperature: 1.250000
Total energy: -1061.881391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.881391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.881391 (E_RNA)
where:
Base-Base interactions energy: -649.606
where: short stacking energy: -282.390
Base-Backbone interact. energy: -2.686
local terms energy: -409.589710
where:
bonds (distance) C4'-P energy: -89.878
bonds (distance) P-C4' energy: -109.789
flat angles C4'-P-C4' energy: -100.676
flat angles P-C4'-P energy: -58.166
tors. eta vs tors. theta energy: -51.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -776.430916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.430916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.430916 (E_RNA)
where:
Base-Base interactions energy: -404.370
where: short stacking energy: -222.613
Base-Backbone interact. energy: -1.305
local terms energy: -370.755720
where:
bonds (distance) C4'-P energy: -109.401
bonds (distance) P-C4' energy: -107.368
flat angles C4'-P-C4' energy: -94.148
flat angles P-C4'-P energy: -45.690
tors. eta vs tors. theta energy: -14.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -452.941333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.941333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.941333 (E_RNA)
where:
Base-Base interactions energy: -173.908
where: short stacking energy: -123.875
Base-Backbone interact. energy: 0.041
local terms energy: -279.074721
where:
bonds (distance) C4'-P energy: -81.441
bonds (distance) P-C4' energy: -95.769
flat angles C4'-P-C4' energy: -66.423
flat angles P-C4'-P energy: -59.734
tors. eta vs tors. theta energy: 24.293
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: 9
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -2113.062651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2113.062651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2113.062651 (E_RNA)
where:
Base-Base interactions energy: -1481.499
where: short stacking energy: -599.761
Base-Backbone interact. energy: -2.256
local terms energy: -629.308015
where:
bonds (distance) C4'-P energy: -115.616
bonds (distance) P-C4' energy: -113.563
flat angles C4'-P-C4' energy: -130.890
flat angles P-C4'-P energy: -91.212
tors. eta vs tors. theta energy: -178.027
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: 488
Temperature: 0.950000
Total energy: -2008.598067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.598067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.598067 (E_RNA)
where:
Base-Base interactions energy: -1405.010
where: short stacking energy: -581.661
Base-Backbone interact. energy: -0.786
local terms energy: -602.802253
where:
bonds (distance) C4'-P energy: -114.048
bonds (distance) P-C4' energy: -117.660
flat angles C4'-P-C4' energy: -125.620
flat angles P-C4'-P energy: -79.091
tors. eta vs tors. theta energy: -166.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1864.389887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.389887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.389887 (E_RNA)
where:
Base-Base interactions energy: -1283.786
where: short stacking energy: -525.502
Base-Backbone interact. energy: -0.260
local terms energy: -580.343560
where:
bonds (distance) C4'-P energy: -113.404
bonds (distance) P-C4' energy: -104.929
flat angles C4'-P-C4' energy: -133.519
flat angles P-C4'-P energy: -65.933
tors. eta vs tors. theta energy: -162.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1863.822039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.822039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.822039 (E_RNA)
where:
Base-Base interactions energy: -1276.046
where: short stacking energy: -522.807
Base-Backbone interact. energy: -2.488
local terms energy: -585.287724
where:
bonds (distance) C4'-P energy: -87.612
bonds (distance) P-C4' energy: -124.906
flat angles C4'-P-C4' energy: -122.623
flat angles P-C4'-P energy: -82.503
tors. eta vs tors. theta energy: -167.642
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: 5, replica: 1
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1696.135714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.135714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.135714 (E_RNA)
where:
Base-Base interactions energy: -1144.718
where: short stacking energy: -495.956
Base-Backbone interact. energy: 0.482
local terms energy: -551.899470
where:
bonds (distance) C4'-P energy: -109.645
bonds (distance) P-C4' energy: -108.844
flat angles C4'-P-C4' energy: -121.442
flat angles P-C4'-P energy: -83.529
tors. eta vs tors. theta energy: -128.439
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: 6, replica: 5
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1552.435807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.435807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.435807 (E_RNA)
where:
Base-Base interactions energy: -1071.062
where: short stacking energy: -449.058
Base-Backbone interact. energy: 0.883
local terms energy: -482.256787
where:
bonds (distance) C4'-P energy: -95.116
bonds (distance) P-C4' energy: -105.882
flat angles C4'-P-C4' energy: -95.916
flat angles P-C4'-P energy: -66.522
tors. eta vs tors. theta energy: -118.821
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: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1317.942035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.942035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.942035 (E_RNA)
where:
Base-Base interactions energy: -840.481
where: short stacking energy: -371.691
Base-Backbone interact. energy: -1.639
local terms energy: -475.821943
where:
bonds (distance) C4'-P energy: -107.523
bonds (distance) P-C4' energy: -116.563
flat angles C4'-P-C4' energy: -104.961
flat angles P-C4'-P energy: -67.346
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: 8, replica: 4
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1072.516558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.516558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.516558 (E_RNA)
where:
Base-Base interactions energy: -660.231
where: short stacking energy: -310.304
Base-Backbone interact. energy: -2.781
local terms energy: -409.504138
where:
bonds (distance) C4'-P energy: -105.177
bonds (distance) P-C4' energy: -98.947
flat angles C4'-P-C4' energy: -91.492
flat angles P-C4'-P energy: -64.478
tors. eta vs tors. theta energy: -49.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -776.103587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.103587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.103587 (E_RNA)
where:
Base-Base interactions energy: -416.034
where: short stacking energy: -222.294
Base-Backbone interact. energy: -0.356
local terms energy: -359.713251
where:
bonds (distance) C4'-P energy: -93.136
bonds (distance) P-C4' energy: -99.708
flat angles C4'-P-C4' energy: -90.609
flat angles P-C4'-P energy: -55.757
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: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -441.041159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.041159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.041159 (E_RNA)
where:
Base-Base interactions energy: -121.841
where: short stacking energy: -90.607
Base-Backbone interact. energy: -3.405
local terms energy: -315.794846
where:
bonds (distance) C4'-P energy: -98.224
bonds (distance) P-C4' energy: -106.190
flat angles C4'-P-C4' energy: -81.321
flat angles P-C4'-P energy: -58.083
tors. eta vs tors. theta energy: 28.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -2105.908825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2105.908825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2105.908825 (E_RNA)
where:
Base-Base interactions energy: -1488.722
where: short stacking energy: -622.302
Base-Backbone interact. energy: -3.141
local terms energy: -614.045172
where:
bonds (distance) C4'-P energy: -114.253
bonds (distance) P-C4' energy: -111.861
flat angles C4'-P-C4' energy: -118.736
flat angles P-C4'-P energy: -89.993
tors. eta vs tors. theta energy: -179.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -2017.356697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2017.356697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2017.356697 (E_RNA)
where:
Base-Base interactions energy: -1400.761
where: short stacking energy: -584.042
Base-Backbone interact. energy: -0.953
local terms energy: -615.642930
where:
bonds (distance) C4'-P energy: -115.559
bonds (distance) P-C4' energy: -121.652
flat angles C4'-P-C4' energy: -120.077
flat angles P-C4'-P energy: -83.324
tors. eta vs tors. theta energy: -175.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1895.114165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.114165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.114165 (E_RNA)
where:
Base-Base interactions energy: -1307.897
where: short stacking energy: -535.126
Base-Backbone interact. energy: 3.140
local terms energy: -590.357001
where:
bonds (distance) C4'-P energy: -107.276
bonds (distance) P-C4' energy: -102.450
flat angles C4'-P-C4' energy: -127.496
flat angles P-C4'-P energy: -91.038
tors. eta vs tors. theta energy: -162.098
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: 6
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1842.982251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.982251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.982251 (E_RNA)
where:
Base-Base interactions energy: -1274.609
where: short stacking energy: -548.571
Base-Backbone interact. energy: 1.040
local terms energy: -569.412948
where:
bonds (distance) C4'-P energy: -98.238
bonds (distance) P-C4' energy: -101.702
flat angles C4'-P-C4' energy: -130.612
flat angles P-C4'-P energy: -80.065
tors. eta vs tors. theta energy: -158.795
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: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1740.072088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.072088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.072088 (E_RNA)
where:
Base-Base interactions energy: -1212.670
where: short stacking energy: -505.992
Base-Backbone interact. energy: -2.166
local terms energy: -525.236727
where:
bonds (distance) C4'-P energy: -95.130
bonds (distance) P-C4' energy: -109.370
flat angles C4'-P-C4' energy: -114.774
flat angles P-C4'-P energy: -69.377
tors. eta vs tors. theta energy: -136.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1628.285846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.285846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.285846 (E_RNA)
where:
Base-Base interactions energy: -1122.842
where: short stacking energy: -487.765
Base-Backbone interact. energy: -2.762
local terms energy: -502.681775
where:
bonds (distance) C4'-P energy: -81.092
bonds (distance) P-C4' energy: -101.154
flat angles C4'-P-C4' energy: -113.840
flat angles P-C4'-P energy: -59.855
tors. eta vs tors. theta energy: -146.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1371.985839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.985839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.985839 (E_RNA)
where:
Base-Base interactions energy: -891.266
where: short stacking energy: -374.757
Base-Backbone interact. energy: 0.382
local terms energy: -481.102581
where:
bonds (distance) C4'-P energy: -119.864
bonds (distance) P-C4' energy: -108.999
flat angles C4'-P-C4' energy: -104.061
flat angles P-C4'-P energy: -62.141
tors. eta vs tors. theta energy: -86.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1070.476477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1070.476477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1070.476477 (E_RNA)
where:
Base-Base interactions energy: -671.573
where: short stacking energy: -290.836
Base-Backbone interact. energy: -1.749
local terms energy: -397.154824
where:
bonds (distance) C4'-P energy: -89.720
bonds (distance) P-C4' energy: -95.230
flat angles C4'-P-C4' energy: -90.229
flat angles P-C4'-P energy: -68.686
tors. eta vs tors. theta energy: -53.290
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: 2
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -783.695449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.695449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.695449 (E_RNA)
where:
Base-Base interactions energy: -398.728
where: short stacking energy: -218.051
Base-Backbone interact. energy: 4.244
local terms energy: -389.211932
where:
bonds (distance) C4'-P energy: -88.522
bonds (distance) P-C4' energy: -92.659
flat angles C4'-P-C4' energy: -102.771
flat angles P-C4'-P energy: -64.054
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: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -441.954230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.954230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.954230 (E_RNA)
where:
Base-Base interactions energy: -146.368
where: short stacking energy: -113.135
Base-Backbone interact. energy: 1.457
local terms energy: -297.042955
where:
bonds (distance) C4'-P energy: -106.550
bonds (distance) P-C4' energy: -111.401
flat angles C4'-P-C4' energy: -56.676
flat angles P-C4'-P energy: -47.877
tors. eta vs tors. theta energy: 25.462
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: 1, replica: 9
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -2126.018233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2126.018233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2126.018233 (E_RNA)
where:
Base-Base interactions energy: -1513.608
where: short stacking energy: -604.166
Base-Backbone interact. energy: 0.331
local terms energy: -612.741252
where:
bonds (distance) C4'-P energy: -107.262
bonds (distance) P-C4' energy: -112.824
flat angles C4'-P-C4' energy: -137.684
flat angles P-C4'-P energy: -78.845
tors. eta vs tors. theta energy: -176.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -2008.040201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.040201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.040201 (E_RNA)
where:
Base-Base interactions energy: -1376.321
where: short stacking energy: -573.040
Base-Backbone interact. energy: -2.935
local terms energy: -628.784380
where:
bonds (distance) C4'-P energy: -119.380
bonds (distance) P-C4' energy: -132.682
flat angles C4'-P-C4' energy: -123.440
flat angles P-C4'-P energy: -85.712
tors. eta vs tors. theta energy: -167.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1890.921645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.921645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.921645 (E_RNA)
where:
Base-Base interactions energy: -1322.610
where: short stacking energy: -531.330
Base-Backbone interact. energy: -3.055
local terms energy: -565.256493
where:
bonds (distance) C4'-P energy: -96.221
bonds (distance) P-C4' energy: -117.143
flat angles C4'-P-C4' energy: -129.637
flat angles P-C4'-P energy: -82.231
tors. eta vs tors. theta energy: -140.025
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: 6
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1844.011452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.011452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.011452 (E_RNA)
where:
Base-Base interactions energy: -1285.538
where: short stacking energy: -538.489
Base-Backbone interact. energy: 2.566
local terms energy: -561.038599
where:
bonds (distance) C4'-P energy: -100.863
bonds (distance) P-C4' energy: -111.199
flat angles C4'-P-C4' energy: -120.002
flat angles P-C4'-P energy: -74.085
tors. eta vs tors. theta energy: -154.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1671.968348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.968348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.968348 (E_RNA)
where:
Base-Base interactions energy: -1140.066
where: short stacking energy: -499.126
Base-Backbone interact. energy: -1.213
local terms energy: -530.689983
where:
bonds (distance) C4'-P energy: -85.950
bonds (distance) P-C4' energy: -100.345
flat angles C4'-P-C4' energy: -126.743
flat angles P-C4'-P energy: -73.890
tors. eta vs tors. theta energy: -143.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1604.629644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.629644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.629644 (E_RNA)
where:
Base-Base interactions energy: -1096.073
where: short stacking energy: -463.184
Base-Backbone interact. energy: -2.558
local terms energy: -505.998509
where:
bonds (distance) C4'-P energy: -92.147
bonds (distance) P-C4' energy: -106.035
flat angles C4'-P-C4' energy: -100.752
flat angles P-C4'-P energy: -67.291
tors. eta vs tors. theta energy: -139.774
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: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1363.412551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.412551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.412551 (E_RNA)
where:
Base-Base interactions energy: -921.593
where: short stacking energy: -389.337
Base-Backbone interact. energy: -1.504
local terms energy: -440.315588
where:
bonds (distance) C4'-P energy: -97.232
bonds (distance) P-C4' energy: -95.377
flat angles C4'-P-C4' energy: -107.088
flat angles P-C4'-P energy: -39.787
tors. eta vs tors. theta energy: -100.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1065.444839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.444839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.444839 (E_RNA)
where:
Base-Base interactions energy: -649.821
where: short stacking energy: -297.473
Base-Backbone interact. energy: -0.691
local terms energy: -414.933367
where:
bonds (distance) C4'-P energy: -113.078
bonds (distance) P-C4' energy: -104.005
flat angles C4'-P-C4' energy: -97.713
flat angles P-C4'-P energy: -55.341
tors. eta vs tors. theta energy: -44.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -825.575297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.575297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.575297 (E_RNA)
where:
Base-Base interactions energy: -455.838
where: short stacking energy: -228.499
Base-Backbone interact. energy: 4.571
local terms energy: -374.307738
where:
bonds (distance) C4'-P energy: -89.840
bonds (distance) P-C4' energy: -97.723
flat angles C4'-P-C4' energy: -111.421
flat angles P-C4'-P energy: -45.156
tors. eta vs tors. theta energy: -30.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -465.551094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.551094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.551094 (E_RNA)
where:
Base-Base interactions energy: -170.351
where: short stacking energy: -133.464
Base-Backbone interact. energy: -2.069
local terms energy: -293.130835
where:
bonds (distance) C4'-P energy: -77.448
bonds (distance) P-C4' energy: -98.140
flat angles C4'-P-C4' energy: -74.807
flat angles P-C4'-P energy: -46.903
tors. eta vs tors. theta energy: 4.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -2112.440718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.440718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.440718 (E_RNA)
where:
Base-Base interactions energy: -1470.283
where: short stacking energy: -592.449
Base-Backbone interact. energy: 3.142
local terms energy: -645.299983
where:
bonds (distance) C4'-P energy: -122.172
bonds (distance) P-C4' energy: -120.829
flat angles C4'-P-C4' energy: -130.012
flat angles P-C4'-P energy: -96.934
tors. eta vs tors. theta energy: -175.353
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: 491
Temperature: 0.950000
Total energy: -2011.234648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2011.234648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2011.234648 (E_RNA)
where:
Base-Base interactions energy: -1363.647
where: short stacking energy: -574.569
Base-Backbone interact. energy: -1.561
local terms energy: -646.027040
where:
bonds (distance) C4'-P energy: -121.678
bonds (distance) P-C4' energy: -123.554
flat angles C4'-P-C4' energy: -128.621
flat angles P-C4'-P energy: -98.552
tors. eta vs tors. theta energy: -173.622
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: 8
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1868.114275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.114275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.114275 (E_RNA)
where:
Base-Base interactions energy: -1273.698
where: short stacking energy: -528.963
Base-Backbone interact. energy: -3.877
local terms energy: -590.540017
where:
bonds (distance) C4'-P energy: -106.943
bonds (distance) P-C4' energy: -116.968
flat angles C4'-P-C4' energy: -132.209
flat angles P-C4'-P energy: -70.484
tors. eta vs tors. theta energy: -163.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1875.477602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.477602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.477602 (E_RNA)
where:
Base-Base interactions energy: -1295.392
where: short stacking energy: -535.726
Base-Backbone interact. energy: -0.295
local terms energy: -579.790383
where:
bonds (distance) C4'-P energy: -102.630
bonds (distance) P-C4' energy: -120.129
flat angles C4'-P-C4' energy: -126.088
flat angles P-C4'-P energy: -76.199
tors. eta vs tors. theta energy: -154.744
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: 5
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1716.482880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.482880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.482880 (E_RNA)
where:
Base-Base interactions energy: -1151.604
where: short stacking energy: -517.956
Base-Backbone interact. energy: -1.748
local terms energy: -563.130937
where:
bonds (distance) C4'-P energy: -97.354
bonds (distance) P-C4' energy: -104.828
flat angles C4'-P-C4' energy: -129.685
flat angles P-C4'-P energy: -82.426
tors. eta vs tors. theta energy: -148.837
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: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -1584.245757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.245757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.245757 (E_RNA)
where:
Base-Base interactions energy: -1096.230
where: short stacking energy: -443.668
Base-Backbone interact. energy: -1.635
local terms energy: -486.380344
where:
bonds (distance) C4'-P energy: -100.009
bonds (distance) P-C4' energy: -92.865
flat angles C4'-P-C4' energy: -101.509
flat angles P-C4'-P energy: -68.388
tors. eta vs tors. theta energy: -123.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1450.373157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.373157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.373157 (E_RNA)
where:
Base-Base interactions energy: -978.678
where: short stacking energy: -440.033
Base-Backbone interact. energy: 0.978
local terms energy: -472.673779
where:
bonds (distance) C4'-P energy: -76.223
bonds (distance) P-C4' energy: -104.061
flat angles C4'-P-C4' energy: -105.927
flat angles P-C4'-P energy: -60.250
tors. eta vs tors. theta energy: -126.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1088.813162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.813162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.813162 (E_RNA)
where:
Base-Base interactions energy: -644.967
where: short stacking energy: -310.134
Base-Backbone interact. energy: 0.243
local terms energy: -444.088955
where:
bonds (distance) C4'-P energy: -98.173
bonds (distance) P-C4' energy: -120.315
flat angles C4'-P-C4' energy: -90.902
flat angles P-C4'-P energy: -62.216
tors. eta vs tors. theta energy: -72.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -796.638942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.638942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.638942 (E_RNA)
where:
Base-Base interactions energy: -448.938
where: short stacking energy: -229.329
Base-Backbone interact. energy: 2.834
local terms energy: -350.534816
where:
bonds (distance) C4'-P energy: -95.594
bonds (distance) P-C4' energy: -95.612
flat angles C4'-P-C4' energy: -98.843
flat angles P-C4'-P energy: -39.858
tors. eta vs tors. theta energy: -20.627
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: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -496.745686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.745686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.745686 (E_RNA)
where:
Base-Base interactions energy: -212.249
where: short stacking energy: -115.800
Base-Backbone interact. energy: -0.022
local terms energy: -284.474552
where:
bonds (distance) C4'-P energy: -94.147
bonds (distance) P-C4' energy: -87.519
flat angles C4'-P-C4' energy: -90.310
flat angles P-C4'-P energy: -36.476
tors. eta vs tors. theta energy: 23.977
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: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -2096.821535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2096.821535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2096.821535 (E_RNA)
where:
Base-Base interactions energy: -1477.076
where: short stacking energy: -590.145
Base-Backbone interact. energy: 0.009
local terms energy: -619.754531
where:
bonds (distance) C4'-P energy: -108.258
bonds (distance) P-C4' energy: -113.766
flat angles C4'-P-C4' energy: -137.941
flat angles P-C4'-P energy: -90.148
tors. eta vs tors. theta energy: -169.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1996.526552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1996.526552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1996.526552 (E_RNA)
where:
Base-Base interactions energy: -1388.159
where: short stacking energy: -570.111
Base-Backbone interact. energy: -3.125
local terms energy: -605.242876
where:
bonds (distance) C4'-P energy: -117.610
bonds (distance) P-C4' energy: -116.377
flat angles C4'-P-C4' energy: -125.540
flat angles P-C4'-P energy: -77.739
tors. eta vs tors. theta energy: -167.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1876.664496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.664496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.664496 (E_RNA)
where:
Base-Base interactions energy: -1269.973
where: short stacking energy: -559.423
Base-Backbone interact. energy: 0.151
local terms energy: -606.841852
where:
bonds (distance) C4'-P energy: -103.193
bonds (distance) P-C4' energy: -113.739
flat angles C4'-P-C4' energy: -128.558
flat angles P-C4'-P energy: -88.963
tors. eta vs tors. theta energy: -172.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1863.126901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.126901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.126901 (E_RNA)
where:
Base-Base interactions energy: -1265.844
where: short stacking energy: -537.801
Base-Backbone interact. energy: -2.858
local terms energy: -594.424535
where:
bonds (distance) C4'-P energy: -115.110
bonds (distance) P-C4' energy: -119.392
flat angles C4'-P-C4' energy: -125.426
flat angles P-C4'-P energy: -71.792
tors. eta vs tors. theta energy: -162.705
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: 492
Temperature: 1.100000
Total energy: -1610.099019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.099019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.099019 (E_RNA)
where:
Base-Base interactions energy: -1074.181
where: short stacking energy: -475.760
Base-Backbone interact. energy: -2.429
local terms energy: -533.489000
where:
bonds (distance) C4'-P energy: -99.381
bonds (distance) P-C4' energy: -108.433
flat angles C4'-P-C4' energy: -115.410
flat angles P-C4'-P energy: -79.271
tors. eta vs tors. theta energy: -130.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1581.779422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.779422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.779422 (E_RNA)
where:
Base-Base interactions energy: -1071.559
where: short stacking energy: -445.276
Base-Backbone interact. energy: -3.721
local terms energy: -506.500186
where:
bonds (distance) C4'-P energy: -99.861
bonds (distance) P-C4' energy: -97.679
flat angles C4'-P-C4' energy: -105.227
flat angles P-C4'-P energy: -81.330
tors. eta vs tors. theta energy: -122.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1436.698044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.698044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.698044 (E_RNA)
where:
Base-Base interactions energy: -940.231
where: short stacking energy: -400.137
Base-Backbone interact. energy: -1.326
local terms energy: -495.141213
where:
bonds (distance) C4'-P energy: -105.289
bonds (distance) P-C4' energy: -115.834
flat angles C4'-P-C4' energy: -104.266
flat angles P-C4'-P energy: -55.571
tors. eta vs tors. theta energy: -114.181
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: 492
Temperature: 1.250000
Total energy: -1154.218481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.218481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.218481 (E_RNA)
where:
Base-Base interactions energy: -723.405
where: short stacking energy: -349.559
Base-Backbone interact. energy: -2.278
local terms energy: -428.535135
where:
bonds (distance) C4'-P energy: -98.581
bonds (distance) P-C4' energy: -108.242
flat angles C4'-P-C4' energy: -91.167
flat angles P-C4'-P energy: -52.589
tors. eta vs tors. theta energy: -77.956
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: 9, replica: 2
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -813.840346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.840346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.840346 (E_RNA)
where:
Base-Base interactions energy: -432.416
where: short stacking energy: -224.647
Base-Backbone interact. energy: -0.380
local terms energy: -381.044953
where:
bonds (distance) C4'-P energy: -99.947
bonds (distance) P-C4' energy: -98.364
flat angles C4'-P-C4' energy: -98.767
flat angles P-C4'-P energy: -53.267
tors. eta vs tors. theta energy: -30.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -473.851653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.851653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.851653 (E_RNA)
where:
Base-Base interactions energy: -214.405
where: short stacking energy: -128.120
Base-Backbone interact. energy: 8.222
local terms energy: -267.668469
where:
bonds (distance) C4'-P energy: -89.954
bonds (distance) P-C4' energy: -94.254
flat angles C4'-P-C4' energy: -65.906
flat angles P-C4'-P energy: -46.364
tors. eta vs tors. theta energy: 28.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -2098.314777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.314777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.314777 (E_RNA)
where:
Base-Base interactions energy: -1468.313
where: short stacking energy: -597.014
Base-Backbone interact. energy: 2.906
local terms energy: -632.908030
where:
bonds (distance) C4'-P energy: -120.207
bonds (distance) P-C4' energy: -115.031
flat angles C4'-P-C4' energy: -136.758
flat angles P-C4'-P energy: -93.001
tors. eta vs tors. theta energy: -167.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -2009.479631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2009.479631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2009.479631 (E_RNA)
where:
Base-Base interactions energy: -1401.831
where: short stacking energy: -591.408
Base-Backbone interact. energy: -2.895
local terms energy: -604.753544
where:
bonds (distance) C4'-P energy: -109.186
bonds (distance) P-C4' energy: -111.091
flat angles C4'-P-C4' energy: -134.782
flat angles P-C4'-P energy: -79.703
tors. eta vs tors. theta energy: -169.992
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: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1869.917252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.917252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.917252 (E_RNA)
where:
Base-Base interactions energy: -1275.091
where: short stacking energy: -541.039
Base-Backbone interact. energy: -1.338
local terms energy: -593.488977
where:
bonds (distance) C4'-P energy: -102.304
bonds (distance) P-C4' energy: -124.933
flat angles C4'-P-C4' energy: -119.922
flat angles P-C4'-P energy: -80.795
tors. eta vs tors. theta energy: -165.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1855.813152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.813152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.813152 (E_RNA)
where:
Base-Base interactions energy: -1272.714
where: short stacking energy: -546.266
Base-Backbone interact. energy: -1.813
local terms energy: -581.286309
where:
bonds (distance) C4'-P energy: -112.550
bonds (distance) P-C4' energy: -100.047
flat angles C4'-P-C4' energy: -128.421
flat angles P-C4'-P energy: -76.165
tors. eta vs tors. theta energy: -164.102
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: 5
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1639.173178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.173178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.173178 (E_RNA)
where:
Base-Base interactions energy: -1082.709
where: short stacking energy: -472.325
Base-Backbone interact. energy: -2.060
local terms energy: -554.403913
where:
bonds (distance) C4'-P energy: -105.565
bonds (distance) P-C4' energy: -114.803
flat angles C4'-P-C4' energy: -121.265
flat angles P-C4'-P energy: -76.043
tors. eta vs tors. theta energy: -136.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1607.815499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.815499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.815499 (E_RNA)
where:
Base-Base interactions energy: -1081.150
where: short stacking energy: -456.865
Base-Backbone interact. energy: -4.486
local terms energy: -522.179521
where:
bonds (distance) C4'-P energy: -104.311
bonds (distance) P-C4' energy: -114.882
flat angles C4'-P-C4' energy: -116.546
flat angles P-C4'-P energy: -67.391
tors. eta vs tors. theta energy: -119.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1314.552142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.552142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.552142 (E_RNA)
where:
Base-Base interactions energy: -897.819
where: short stacking energy: -404.424
Base-Backbone interact. energy: -1.020
local terms energy: -415.713480
where:
bonds (distance) C4'-P energy: -74.153
bonds (distance) P-C4' energy: -93.345
flat angles C4'-P-C4' energy: -111.782
flat angles P-C4'-P energy: -55.768
tors. eta vs tors. theta energy: -80.665
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: 4
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1092.283047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.283047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.283047 (E_RNA)
where:
Base-Base interactions energy: -679.417
where: short stacking energy: -310.691
Base-Backbone interact. energy: -0.613
local terms energy: -412.253576
where:
bonds (distance) C4'-P energy: -101.450
bonds (distance) P-C4' energy: -88.424
flat angles C4'-P-C4' energy: -100.778
flat angles P-C4'-P energy: -65.615
tors. eta vs tors. theta energy: -55.987
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: 9, replica: 2
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -805.153215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.153215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.153215 (E_RNA)
where:
Base-Base interactions energy: -435.976
where: short stacking energy: -243.992
Base-Backbone interact. energy: 1.143
local terms energy: -370.320389
where:
bonds (distance) C4'-P energy: -94.685
bonds (distance) P-C4' energy: -93.490
flat angles C4'-P-C4' energy: -89.806
flat angles P-C4'-P energy: -63.544
tors. eta vs tors. theta energy: -28.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -489.797098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.797098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.797098 (E_RNA)
where:
Base-Base interactions energy: -212.029
where: short stacking energy: -144.071
Base-Backbone interact. energy: 1.360
local terms energy: -279.128876
where:
bonds (distance) C4'-P energy: -89.714
bonds (distance) P-C4' energy: -90.301
flat angles C4'-P-C4' energy: -74.975
flat angles P-C4'-P energy: -41.982
tors. eta vs tors. theta energy: 17.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -2102.908700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2102.908700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2102.908700 (E_RNA)
where:
Base-Base interactions energy: -1462.174
where: short stacking energy: -592.042
Base-Backbone interact. energy: -2.191
local terms energy: -638.543496
where:
bonds (distance) C4'-P energy: -111.955
bonds (distance) P-C4' energy: -123.201
flat angles C4'-P-C4' energy: -136.925
flat angles P-C4'-P energy: -91.568
tors. eta vs tors. theta energy: -174.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -2001.297005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2001.297005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2001.297005 (E_RNA)
where:
Base-Base interactions energy: -1382.409
where: short stacking energy: -572.759
Base-Backbone interact. energy: -4.568
local terms energy: -614.320092
where:
bonds (distance) C4'-P energy: -107.512
bonds (distance) P-C4' energy: -120.768
flat angles C4'-P-C4' energy: -131.263
flat angles P-C4'-P energy: -85.548
tors. eta vs tors. theta energy: -169.229
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: 8
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1864.753168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.753168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.753168 (E_RNA)
where:
Base-Base interactions energy: -1263.057
where: short stacking energy: -540.061
Base-Backbone interact. energy: -0.337
local terms energy: -601.359302
where:
bonds (distance) C4'-P energy: -109.478
bonds (distance) P-C4' energy: -113.579
flat angles C4'-P-C4' energy: -135.942
flat angles P-C4'-P energy: -81.309
tors. eta vs tors. theta energy: -161.050
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: 4, replica: 6
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1826.552065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.552065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.552065 (E_RNA)
where:
Base-Base interactions energy: -1264.421
where: short stacking energy: -530.079
Base-Backbone interact. energy: -3.908
local terms energy: -558.222753
where:
bonds (distance) C4'-P energy: -99.918
bonds (distance) P-C4' energy: -91.137
flat angles C4'-P-C4' energy: -123.796
flat angles P-C4'-P energy: -78.645
tors. eta vs tors. theta energy: -164.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1717.588973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.588973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.588973 (E_RNA)
where:
Base-Base interactions energy: -1204.273
where: short stacking energy: -476.660
Base-Backbone interact. energy: -1.219
local terms energy: -512.096814
where:
bonds (distance) C4'-P energy: -108.096
bonds (distance) P-C4' energy: -95.667
flat angles C4'-P-C4' energy: -112.519
flat angles P-C4'-P energy: -67.112
tors. eta vs tors. theta energy: -128.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1616.999921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.999921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.999921 (E_RNA)
where:
Base-Base interactions energy: -1081.675
where: short stacking energy: -434.985
Base-Backbone interact. energy: -0.118
local terms energy: -535.207525
where:
bonds (distance) C4'-P energy: -105.918
bonds (distance) P-C4' energy: -106.623
flat angles C4'-P-C4' energy: -123.231
flat angles P-C4'-P energy: -77.993
tors. eta vs tors. theta energy: -121.443
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: 10
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1374.360181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.360181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.360181 (E_RNA)
where:
Base-Base interactions energy: -927.680
where: short stacking energy: -393.676
Base-Backbone interact. energy: -0.967
local terms energy: -445.712822
where:
bonds (distance) C4'-P energy: -110.024
bonds (distance) P-C4' energy: -100.466
flat angles C4'-P-C4' energy: -94.262
flat angles P-C4'-P energy: -41.127
tors. eta vs tors. theta energy: -99.833
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: 8, replica: 4
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1088.379054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.379054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.379054 (E_RNA)
where:
Base-Base interactions energy: -675.661
where: short stacking energy: -305.193
Base-Backbone interact. energy: -3.366
local terms energy: -409.352720
where:
bonds (distance) C4'-P energy: -100.233
bonds (distance) P-C4' energy: -92.102
flat angles C4'-P-C4' energy: -96.276
flat angles P-C4'-P energy: -61.332
tors. eta vs tors. theta energy: -59.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -766.334927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.334927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.334927 (E_RNA)
where:
Base-Base interactions energy: -451.142
where: short stacking energy: -211.696
Base-Backbone interact. energy: -3.275
local terms energy: -311.918135
where:
bonds (distance) C4'-P energy: -82.506
bonds (distance) P-C4' energy: -101.805
flat angles C4'-P-C4' energy: -81.972
flat angles P-C4'-P energy: -38.289
tors. eta vs tors. theta energy: -7.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -464.025718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.025718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.025718 (E_RNA)
where:
Base-Base interactions energy: -176.538
where: short stacking energy: -129.056
Base-Backbone interact. energy: 0.517
local terms energy: -288.005422
where:
bonds (distance) C4'-P energy: -107.750
bonds (distance) P-C4' energy: -98.164
flat angles C4'-P-C4' energy: -79.495
flat angles P-C4'-P energy: -27.659
tors. eta vs tors. theta energy: 25.062
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: 495
Temperature: 0.900000
Total energy: -2093.171524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2093.171524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2093.171524 (E_RNA)
where:
Base-Base interactions energy: -1468.308
where: short stacking energy: -580.721
Base-Backbone interact. energy: -0.682
local terms energy: -624.181902
where:
bonds (distance) C4'-P energy: -108.358
bonds (distance) P-C4' energy: -115.882
flat angles C4'-P-C4' energy: -131.491
flat angles P-C4'-P energy: -98.326
tors. eta vs tors. theta energy: -170.125
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: 7
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1992.509559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.509559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.509559 (E_RNA)
where:
Base-Base interactions energy: -1378.592
where: short stacking energy: -566.312
Base-Backbone interact. energy: -1.730
local terms energy: -612.188183
where:
bonds (distance) C4'-P energy: -124.499
bonds (distance) P-C4' energy: -111.799
flat angles C4'-P-C4' energy: -130.728
flat angles P-C4'-P energy: -88.610
tors. eta vs tors. theta energy: -156.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1867.141900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.141900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.141900 (E_RNA)
where:
Base-Base interactions energy: -1265.633
where: short stacking energy: -542.216
Base-Backbone interact. energy: -4.547
local terms energy: -596.961090
where:
bonds (distance) C4'-P energy: -121.637
bonds (distance) P-C4' energy: -116.232
flat angles C4'-P-C4' energy: -121.761
flat angles P-C4'-P energy: -81.575
tors. eta vs tors. theta energy: -155.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1819.326097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.326097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.326097 (E_RNA)
where:
Base-Base interactions energy: -1253.423
where: short stacking energy: -501.941
Base-Backbone interact. energy: -0.061
local terms energy: -565.841732
where:
bonds (distance) C4'-P energy: -94.424
bonds (distance) P-C4' energy: -100.924
flat angles C4'-P-C4' energy: -138.958
flat angles P-C4'-P energy: -74.282
tors. eta vs tors. theta energy: -157.254
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: 1
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1732.413159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.413159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.413159 (E_RNA)
where:
Base-Base interactions energy: -1198.719
where: short stacking energy: -503.257
Base-Backbone interact. energy: 1.233
local terms energy: -534.926953
where:
bonds (distance) C4'-P energy: -103.042
bonds (distance) P-C4' energy: -96.040
flat angles C4'-P-C4' energy: -116.955
flat angles P-C4'-P energy: -73.170
tors. eta vs tors. theta energy: -145.720
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: 5
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1582.905068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.905068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.905068 (E_RNA)
where:
Base-Base interactions energy: -1059.101
where: short stacking energy: -464.002
Base-Backbone interact. energy: -0.769
local terms energy: -523.035233
where:
bonds (distance) C4'-P energy: -99.502
bonds (distance) P-C4' energy: -98.094
flat angles C4'-P-C4' energy: -113.846
flat angles P-C4'-P energy: -76.738
tors. eta vs tors. theta energy: -134.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1393.824017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.824017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.824017 (E_RNA)
where:
Base-Base interactions energy: -899.304
where: short stacking energy: -394.772
Base-Backbone interact. energy: -2.506
local terms energy: -492.014698
where:
bonds (distance) C4'-P energy: -101.585
bonds (distance) P-C4' energy: -93.521
flat angles C4'-P-C4' energy: -118.517
flat angles P-C4'-P energy: -78.587
tors. eta vs tors. theta energy: -99.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1079.936417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.936417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.936417 (E_RNA)
where:
Base-Base interactions energy: -689.017
where: short stacking energy: -319.829
Base-Backbone interact. energy: 2.155
local terms energy: -393.074451
where:
bonds (distance) C4'-P energy: -88.539
bonds (distance) P-C4' energy: -95.486
flat angles C4'-P-C4' energy: -97.790
flat angles P-C4'-P energy: -55.432
tors. eta vs tors. theta energy: -55.828
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: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -823.733001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.733001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.733001 (E_RNA)
where:
Base-Base interactions energy: -495.975
where: short stacking energy: -238.580
Base-Backbone interact. energy: -2.982
local terms energy: -324.776323
where:
bonds (distance) C4'-P energy: -95.209
bonds (distance) P-C4' energy: -80.532
flat angles C4'-P-C4' energy: -81.858
flat angles P-C4'-P energy: -40.165
tors. eta vs tors. theta energy: -27.012
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: 3
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -509.826866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.826866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.826866 (E_RNA)
where:
Base-Base interactions energy: -191.159
where: short stacking energy: -140.835
Base-Backbone interact. energy: -5.692
local terms energy: -312.976299
where:
bonds (distance) C4'-P energy: -87.932
bonds (distance) P-C4' energy: -84.607
flat angles C4'-P-C4' energy: -75.933
flat angles P-C4'-P energy: -72.917
tors. eta vs tors. theta energy: 8.414
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: 496
Temperature: 0.900000
Total energy: -2103.255862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2103.255862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2103.255862 (E_RNA)
where:
Base-Base interactions energy: -1482.718
where: short stacking energy: -616.382
Base-Backbone interact. energy: -0.151
local terms energy: -620.386902
where:
bonds (distance) C4'-P energy: -113.362
bonds (distance) P-C4' energy: -128.890
flat angles C4'-P-C4' energy: -125.786
flat angles P-C4'-P energy: -78.133
tors. eta vs tors. theta energy: -174.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -2006.821461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2006.821461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2006.821461 (E_RNA)
where:
Base-Base interactions energy: -1394.306
where: short stacking energy: -583.004
Base-Backbone interact. energy: -2.498
local terms energy: -610.017749
where:
bonds (distance) C4'-P energy: -116.854
bonds (distance) P-C4' energy: -110.466
flat angles C4'-P-C4' energy: -129.444
flat angles P-C4'-P energy: -83.483
tors. eta vs tors. theta energy: -169.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1847.508291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.508291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.508291 (E_RNA)
where:
Base-Base interactions energy: -1259.493
where: short stacking energy: -545.178
Base-Backbone interact. energy: -2.137
local terms energy: -585.878216
where:
bonds (distance) C4'-P energy: -118.158
bonds (distance) P-C4' energy: -119.883
flat angles C4'-P-C4' energy: -120.618
flat angles P-C4'-P energy: -70.025
tors. eta vs tors. theta energy: -157.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1821.724436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.724436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.724436 (E_RNA)
where:
Base-Base interactions energy: -1274.048
where: short stacking energy: -513.375
Base-Backbone interact. energy: 0.454
local terms energy: -548.130174
where:
bonds (distance) C4'-P energy: -98.459
bonds (distance) P-C4' energy: -95.586
flat angles C4'-P-C4' energy: -124.525
flat angles P-C4'-P energy: -74.164
tors. eta vs tors. theta energy: -155.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1711.247349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.247349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.247349 (E_RNA)
where:
Base-Base interactions energy: -1161.107
where: short stacking energy: -499.932
Base-Backbone interact. energy: -3.822
local terms energy: -546.317939
where:
bonds (distance) C4'-P energy: -99.757
bonds (distance) P-C4' energy: -107.988
flat angles C4'-P-C4' energy: -124.841
flat angles P-C4'-P energy: -75.871
tors. eta vs tors. theta energy: -137.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1619.340321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.340321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.340321 (E_RNA)
where:
Base-Base interactions energy: -1082.696
where: short stacking energy: -468.007
Base-Backbone interact. energy: -0.844
local terms energy: -535.799676
where:
bonds (distance) C4'-P energy: -105.309
bonds (distance) P-C4' energy: -112.937
flat angles C4'-P-C4' energy: -122.359
flat angles P-C4'-P energy: -68.316
tors. eta vs tors. theta energy: -126.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1415.486660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.486660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.486660 (E_RNA)
where:
Base-Base interactions energy: -961.173
where: short stacking energy: -423.533
Base-Backbone interact. energy: -2.143
local terms energy: -452.170733
where:
bonds (distance) C4'-P energy: -94.403
bonds (distance) P-C4' energy: -96.153
flat angles C4'-P-C4' energy: -97.881
flat angles P-C4'-P energy: -61.729
tors. eta vs tors. theta energy: -102.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1087.524347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.524347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.524347 (E_RNA)
where:
Base-Base interactions energy: -679.538
where: short stacking energy: -307.136
Base-Backbone interact. energy: -0.795
local terms energy: -407.190501
where:
bonds (distance) C4'-P energy: -105.218
bonds (distance) P-C4' energy: -104.400
flat angles C4'-P-C4' energy: -91.251
flat angles P-C4'-P energy: -53.144
tors. eta vs tors. theta energy: -53.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -844.910968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.910968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.910968 (E_RNA)
where:
Base-Base interactions energy: -477.466
where: short stacking energy: -247.876
Base-Backbone interact. energy: 2.774
local terms energy: -370.219951
where:
bonds (distance) C4'-P energy: -98.758
bonds (distance) P-C4' energy: -102.865
flat angles C4'-P-C4' energy: -79.959
flat angles P-C4'-P energy: -57.624
tors. eta vs tors. theta energy: -31.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -549.213614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.213614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.213614 (E_RNA)
where:
Base-Base interactions energy: -252.318
where: short stacking energy: -167.818
Base-Backbone interact. energy: 2.770
local terms energy: -299.665675
where:
bonds (distance) C4'-P energy: -101.261
bonds (distance) P-C4' energy: -93.281
flat angles C4'-P-C4' energy: -78.088
flat angles P-C4'-P energy: -48.234
tors. eta vs tors. theta energy: 21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -2112.407609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2112.407609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2112.407609 (E_RNA)
where:
Base-Base interactions energy: -1484.181
where: short stacking energy: -617.009
Base-Backbone interact. energy: 1.757
local terms energy: -629.983269
where:
bonds (distance) C4'-P energy: -119.469
bonds (distance) P-C4' energy: -105.927
flat angles C4'-P-C4' energy: -137.952
flat angles P-C4'-P energy: -95.260
tors. eta vs tors. theta energy: -171.376
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: 7
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -2030.008943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.008943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.008943 (E_RNA)
where:
Base-Base interactions energy: -1425.927
where: short stacking energy: -600.607
Base-Backbone interact. energy: 0.219
local terms energy: -604.300663
where:
bonds (distance) C4'-P energy: -110.279
bonds (distance) P-C4' energy: -107.364
flat angles C4'-P-C4' energy: -131.096
flat angles P-C4'-P energy: -81.078
tors. eta vs tors. theta energy: -174.484
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: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1867.153839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.153839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.153839 (E_RNA)
where:
Base-Base interactions energy: -1262.474
where: short stacking energy: -555.988
Base-Backbone interact. energy: -0.908
local terms energy: -603.771799
where:
bonds (distance) C4'-P energy: -105.230
bonds (distance) P-C4' energy: -116.077
flat angles C4'-P-C4' energy: -125.282
flat angles P-C4'-P energy: -79.936
tors. eta vs tors. theta energy: -177.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1811.051540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.051540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.051540 (E_RNA)
where:
Base-Base interactions energy: -1262.088
where: short stacking energy: -535.954
Base-Backbone interact. energy: -1.111
local terms energy: -547.852001
where:
bonds (distance) C4'-P energy: -91.769
bonds (distance) P-C4' energy: -106.691
flat angles C4'-P-C4' energy: -116.632
flat angles P-C4'-P energy: -85.177
tors. eta vs tors. theta energy: -147.582
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: 1
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1752.558724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.558724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.558724 (E_RNA)
where:
Base-Base interactions energy: -1220.662
where: short stacking energy: -525.770
Base-Backbone interact. energy: -3.152
local terms energy: -528.744872
where:
bonds (distance) C4'-P energy: -95.348
bonds (distance) P-C4' energy: -111.127
flat angles C4'-P-C4' energy: -109.082
flat angles P-C4'-P energy: -68.157
tors. eta vs tors. theta energy: -145.031
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: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1595.013593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.013593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.013593 (E_RNA)
where:
Base-Base interactions energy: -1103.746
where: short stacking energy: -472.728
Base-Backbone interact. energy: -1.572
local terms energy: -489.695041
where:
bonds (distance) C4'-P energy: -85.593
bonds (distance) P-C4' energy: -105.868
flat angles C4'-P-C4' energy: -114.549
flat angles P-C4'-P energy: -54.830
tors. eta vs tors. theta energy: -128.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1450.413237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.413237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.413237 (E_RNA)
where:
Base-Base interactions energy: -970.177
where: short stacking energy: -440.641
Base-Backbone interact. energy: -0.612
local terms energy: -479.623641
where:
bonds (distance) C4'-P energy: -85.629
bonds (distance) P-C4' energy: -88.885
flat angles C4'-P-C4' energy: -122.922
flat angles P-C4'-P energy: -67.307
tors. eta vs tors. theta energy: -114.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1130.824813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.824813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.824813 (E_RNA)
where:
Base-Base interactions energy: -704.170
where: short stacking energy: -324.974
Base-Backbone interact. energy: -2.443
local terms energy: -424.211699
where:
bonds (distance) C4'-P energy: -91.220
bonds (distance) P-C4' energy: -109.719
flat angles C4'-P-C4' energy: -103.788
flat angles P-C4'-P energy: -66.026
tors. eta vs tors. theta energy: -53.458
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: 2
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -790.295747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.295747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.295747 (E_RNA)
where:
Base-Base interactions energy: -416.674
where: short stacking energy: -213.061
Base-Backbone interact. energy: -1.918
local terms energy: -371.704043
where:
bonds (distance) C4'-P energy: -105.913
bonds (distance) P-C4' energy: -105.386
flat angles C4'-P-C4' energy: -101.627
flat angles P-C4'-P energy: -48.905
tors. eta vs tors. theta energy: -9.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -493.752623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.752623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.752623 (E_RNA)
where:
Base-Base interactions energy: -181.021
where: short stacking energy: -128.529
Base-Backbone interact. energy: -4.638
local terms energy: -308.093941
where:
bonds (distance) C4'-P energy: -113.673
bonds (distance) P-C4' energy: -96.867
flat angles C4'-P-C4' energy: -93.394
flat angles P-C4'-P energy: -32.745
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: 1, replica: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -2106.679951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.679951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.679951 (E_RNA)
where:
Base-Base interactions energy: -1485.126
where: short stacking energy: -596.526
Base-Backbone interact. energy: -2.186
local terms energy: -619.368155
where:
bonds (distance) C4'-P energy: -107.186
bonds (distance) P-C4' energy: -115.649
flat angles C4'-P-C4' energy: -137.226
flat angles P-C4'-P energy: -91.243
tors. eta vs tors. theta energy: -168.065
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: 7
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -2030.023781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.023781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.023781 (E_RNA)
where:
Base-Base interactions energy: -1412.077
where: short stacking energy: -571.498
Base-Backbone interact. energy: -1.397
local terms energy: -616.550198
where:
bonds (distance) C4'-P energy: -103.801
bonds (distance) P-C4' energy: -124.049
flat angles C4'-P-C4' energy: -126.598
flat angles P-C4'-P energy: -91.817
tors. eta vs tors. theta energy: -170.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1882.303004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.303004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.303004 (E_RNA)
where:
Base-Base interactions energy: -1281.077
where: short stacking energy: -525.162
Base-Backbone interact. energy: -2.434
local terms energy: -598.792068
where:
bonds (distance) C4'-P energy: -113.647
bonds (distance) P-C4' energy: -124.874
flat angles C4'-P-C4' energy: -128.812
flat angles P-C4'-P energy: -74.699
tors. eta vs tors. theta energy: -156.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1803.438545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.438545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.438545 (E_RNA)
where:
Base-Base interactions energy: -1240.500
where: short stacking energy: -537.688
Base-Backbone interact. energy: 1.283
local terms energy: -564.221267
where:
bonds (distance) C4'-P energy: -107.315
bonds (distance) P-C4' energy: -127.265
flat angles C4'-P-C4' energy: -124.320
flat angles P-C4'-P energy: -66.383
tors. eta vs tors. theta energy: -138.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1736.641639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.641639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.641639 (E_RNA)
where:
Base-Base interactions energy: -1177.021
where: short stacking energy: -508.082
Base-Backbone interact. energy: -2.650
local terms energy: -556.971318
where:
bonds (distance) C4'-P energy: -88.034
bonds (distance) P-C4' energy: -104.224
flat angles C4'-P-C4' energy: -139.517
flat angles P-C4'-P energy: -76.805
tors. eta vs tors. theta energy: -148.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1611.737889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.737889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.737889 (E_RNA)
where:
Base-Base interactions energy: -1108.607
where: short stacking energy: -475.843
Base-Backbone interact. energy: 2.950
local terms energy: -506.080534
where:
bonds (distance) C4'-P energy: -91.736
bonds (distance) P-C4' energy: -106.130
flat angles C4'-P-C4' energy: -109.641
flat angles P-C4'-P energy: -76.409
tors. eta vs tors. theta energy: -122.163
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: 7, replica: 10
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1430.106063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.106063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.106063 (E_RNA)
where:
Base-Base interactions energy: -961.543
where: short stacking energy: -437.765
Base-Backbone interact. energy: -1.993
local terms energy: -466.570037
where:
bonds (distance) C4'-P energy: -89.347
bonds (distance) P-C4' energy: -95.345
flat angles C4'-P-C4' energy: -101.941
flat angles P-C4'-P energy: -77.613
tors. eta vs tors. theta energy: -102.324
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: 498
Temperature: 1.250000
Total energy: -1088.038307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.038307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.038307 (E_RNA)
where:
Base-Base interactions energy: -676.597
where: short stacking energy: -288.345
Base-Backbone interact. energy: 2.442
local terms energy: -413.883560
where:
bonds (distance) C4'-P energy: -88.671
bonds (distance) P-C4' energy: -95.019
flat angles C4'-P-C4' energy: -100.698
flat angles P-C4'-P energy: -70.260
tors. eta vs tors. theta energy: -59.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -767.997195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.997195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.997195 (E_RNA)
where:
Base-Base interactions energy: -405.437
where: short stacking energy: -222.025
Base-Backbone interact. energy: 2.802
local terms energy: -365.361532
where:
bonds (distance) C4'-P energy: -85.060
bonds (distance) P-C4' energy: -111.184
flat angles C4'-P-C4' energy: -95.317
flat angles P-C4'-P energy: -56.763
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -483.163580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.163580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.163580 (E_RNA)
where:
Base-Base interactions energy: -182.902
where: short stacking energy: -136.649
Base-Backbone interact. energy: 0.857
local terms energy: -301.118230
where:
bonds (distance) C4'-P energy: -99.721
bonds (distance) P-C4' energy: -84.578
flat angles C4'-P-C4' energy: -77.463
flat angles P-C4'-P energy: -52.900
tors. eta vs tors. theta energy: 13.543
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: 499
Temperature: 0.900000
Total energy: -2098.079908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2098.079908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2098.079908 (E_RNA)
where:
Base-Base interactions energy: -1486.034
where: short stacking energy: -616.088
Base-Backbone interact. energy: -0.837
local terms energy: -611.208727
where:
bonds (distance) C4'-P energy: -107.556
bonds (distance) P-C4' energy: -105.653
flat angles C4'-P-C4' energy: -140.706
flat angles P-C4'-P energy: -79.567
tors. eta vs tors. theta energy: -177.726
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: 499
Temperature: 0.950000
Total energy: -2008.244180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2008.244180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2008.244180 (E_RNA)
where:
Base-Base interactions energy: -1384.772
where: short stacking energy: -549.089
Base-Backbone interact. energy: -0.684
local terms energy: -622.788369
where:
bonds (distance) C4'-P energy: -130.588
bonds (distance) P-C4' energy: -114.774
flat angles C4'-P-C4' energy: -126.025
flat angles P-C4'-P energy: -85.699
tors. eta vs tors. theta energy: -165.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1874.901460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.901460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.901460 (E_RNA)
where:
Base-Base interactions energy: -1284.413
where: short stacking energy: -520.517
Base-Backbone interact. energy: 0.928
local terms energy: -591.416282
where:
bonds (distance) C4'-P energy: -110.140
bonds (distance) P-C4' energy: -121.267
flat angles C4'-P-C4' energy: -132.502
flat angles P-C4'-P energy: -77.368
tors. eta vs tors. theta energy: -150.139
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: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1803.242304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.242304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.242304 (E_RNA)
where:
Base-Base interactions energy: -1251.115
where: short stacking energy: -529.518
Base-Backbone interact. energy: 0.269
local terms energy: -552.396055
where:
bonds (distance) C4'-P energy: -92.126
bonds (distance) P-C4' energy: -114.950
flat angles C4'-P-C4' energy: -124.390
flat angles P-C4'-P energy: -67.104
tors. eta vs tors. theta energy: -153.827
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: 1
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1716.418488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.418488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.418488 (E_RNA)
where:
Base-Base interactions energy: -1172.654
where: short stacking energy: -495.726
Base-Backbone interact. energy: -4.794
local terms energy: -538.971007
where:
bonds (distance) C4'-P energy: -101.159
bonds (distance) P-C4' energy: -107.642
flat angles C4'-P-C4' energy: -126.101
flat angles P-C4'-P energy: -73.550
tors. eta vs tors. theta energy: -130.518
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: 5
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1636.768995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.768995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.768995 (E_RNA)
where:
Base-Base interactions energy: -1133.539
where: short stacking energy: -496.403
Base-Backbone interact. energy: -3.282
local terms energy: -499.948392
where:
bonds (distance) C4'-P energy: -85.303
bonds (distance) P-C4' energy: -104.064
flat angles C4'-P-C4' energy: -106.850
flat angles P-C4'-P energy: -71.367
tors. eta vs tors. theta energy: -132.364
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: 7, replica: 10
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1422.306742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.306742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.306742 (E_RNA)
where:
Base-Base interactions energy: -924.839
where: short stacking energy: -433.250
Base-Backbone interact. energy: -0.629
local terms energy: -496.837919
where:
bonds (distance) C4'-P energy: -97.990
bonds (distance) P-C4' energy: -113.380
flat angles C4'-P-C4' energy: -105.970
flat angles P-C4'-P energy: -70.438
tors. eta vs tors. theta energy: -109.060
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: 499
Temperature: 1.250000
Total energy: -1056.456226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.456226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.456226 (E_RNA)
where:
Base-Base interactions energy: -655.286
where: short stacking energy: -322.196
Base-Backbone interact. energy: 2.106
local terms energy: -403.275657
where:
bonds (distance) C4'-P energy: -77.694
bonds (distance) P-C4' energy: -104.020
flat angles C4'-P-C4' energy: -95.094
flat angles P-C4'-P energy: -65.896
tors. eta vs tors. theta energy: -60.573
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: 9, replica: 2
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -782.392707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.392707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.392707 (E_RNA)
where:
Base-Base interactions energy: -417.060
where: short stacking energy: -219.385
Base-Backbone interact. energy: -2.318
local terms energy: -363.015012
where:
bonds (distance) C4'-P energy: -89.049
bonds (distance) P-C4' energy: -108.993
flat angles C4'-P-C4' energy: -79.493
flat angles P-C4'-P energy: -74.058
tors. eta vs tors. theta energy: -11.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -463.396454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.396454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.396454 (E_RNA)
where:
Base-Base interactions energy: -142.716
where: short stacking energy: -118.832
Base-Backbone interact. energy: -2.235
local terms energy: -318.445385
where:
bonds (distance) C4'-P energy: -108.246
bonds (distance) P-C4' energy: -97.775
flat angles C4'-P-C4' energy: -83.435
flat angles P-C4'-P energy: -48.033
tors. eta vs tors. theta energy: 19.043
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: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -2106.057982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2106.057982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2106.057982 (E_RNA)
where:
Base-Base interactions energy: -1472.025
where: short stacking energy: -615.825
Base-Backbone interact. energy: 1.429
local terms energy: -635.462517
where:
bonds (distance) C4'-P energy: -107.564
bonds (distance) P-C4' energy: -134.827
flat angles C4'-P-C4' energy: -128.982
flat angles P-C4'-P energy: -92.380
tors. eta vs tors. theta energy: -171.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -2035.171709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.171709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.171709 (E_RNA)
where:
Base-Base interactions energy: -1427.303
where: short stacking energy: -600.812
Base-Backbone interact. energy: -2.655
local terms energy: -605.213742
where:
bonds (distance) C4'-P energy: -109.613
bonds (distance) P-C4' energy: -122.322
flat angles C4'-P-C4' energy: -133.165
flat angles P-C4'-P energy: -68.442
tors. eta vs tors. theta energy: -171.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1866.249623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.249623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.249623 (E_RNA)
where:
Base-Base interactions energy: -1258.731
where: short stacking energy: -528.304
Base-Backbone interact. energy: -2.891
local terms energy: -604.627884
where:
bonds (distance) C4'-P energy: -104.589
bonds (distance) P-C4' energy: -118.696
flat angles C4'-P-C4' energy: -128.336
flat angles P-C4'-P energy: -90.357
tors. eta vs tors. theta energy: -162.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1879.341403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.341403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.341403 (E_RNA)
where:
Base-Base interactions energy: -1282.813
where: short stacking energy: -567.930
Base-Backbone interact. energy: -2.487
local terms energy: -594.041037
where:
bonds (distance) C4'-P energy: -110.048
bonds (distance) P-C4' energy: -97.550
flat angles C4'-P-C4' energy: -124.440
flat angles P-C4'-P energy: -93.522
tors. eta vs tors. theta energy: -168.481
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: 1
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1661.030345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.030345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.030345 (E_RNA)
where:
Base-Base interactions energy: -1137.624
where: short stacking energy: -478.122
Base-Backbone interact. energy: 0.248
local terms energy: -523.655297
where:
bonds (distance) C4'-P energy: -104.031
bonds (distance) P-C4' energy: -105.942
flat angles C4'-P-C4' energy: -107.374
flat angles P-C4'-P energy: -77.057
tors. eta vs tors. theta energy: -129.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1636.310192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.310192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.310192 (E_RNA)
where:
Base-Base interactions energy: -1091.871
where: short stacking energy: -494.855
Base-Backbone interact. energy: 7.111
local terms energy: -551.550252
where:
bonds (distance) C4'-P energy: -105.886
bonds (distance) P-C4' energy: -103.713
flat angles C4'-P-C4' energy: -119.402
flat angles P-C4'-P energy: -73.620
tors. eta vs tors. theta energy: -148.929
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: 10
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1430.491531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.491531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.491531 (E_RNA)
where:
Base-Base interactions energy: -964.053
where: short stacking energy: -427.548
Base-Backbone interact. energy: -0.966
local terms energy: -465.472735
where:
bonds (distance) C4'-P energy: -104.744
bonds (distance) P-C4' energy: -83.739
flat angles C4'-P-C4' energy: -117.764
flat angles P-C4'-P energy: -57.434
tors. eta vs tors. theta energy: -101.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1076.084585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.084585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.084585 (E_RNA)
where:
Base-Base interactions energy: -699.936
where: short stacking energy: -321.801
Base-Backbone interact. energy: 1.781
local terms energy: -377.929854
where:
bonds (distance) C4'-P energy: -87.953
bonds (distance) P-C4' energy: -91.744
flat angles C4'-P-C4' energy: -85.596
flat angles P-C4'-P energy: -67.623
tors. eta vs tors. theta energy: -45.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -770.497943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.497943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.497943 (E_RNA)
where:
Base-Base interactions energy: -385.073
where: short stacking energy: -221.938
Base-Backbone interact. energy: -0.484
local terms energy: -384.941478
where:
bonds (distance) C4'-P energy: -98.827
bonds (distance) P-C4' energy: -102.805
flat angles C4'-P-C4' energy: -72.714
flat angles P-C4'-P energy: -63.653
tors. eta vs tors. theta energy: -46.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -497.077707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.077707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.077707 (E_RNA)
where:
Base-Base interactions energy: -194.681
where: short stacking energy: -154.603
Base-Backbone interact. energy: 2.479
local terms energy: -304.875846
where:
bonds (distance) C4'-P energy: -89.981
bonds (distance) P-C4' energy: -105.732
flat angles C4'-P-C4' energy: -74.610
flat angles P-C4'-P energy: -43.856
tors. eta vs tors. theta energy: 9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/U2-38c5d2db_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE