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/FSE-e361bc6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FSE-e361bc6c/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
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 88 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: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 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/FSE-e361bc6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FSE-e361bc6c/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
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 88 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: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 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/FSE-e361bc6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FSE-e361bc6c/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
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 88 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: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 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/FSE-e361bc6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FSE-e361bc6c/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
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 88 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: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 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/FSE-e361bc6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FSE-e361bc6c/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
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 88 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: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 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/FSE-e361bc6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FSE-e361bc6c/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
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 88 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: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 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/FSE-e361bc6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FSE-e361bc6c/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
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 88 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: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 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/FSE-e361bc6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FSE-e361bc6c/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
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 88 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: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 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/FSE-e361bc6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FSE-e361bc6c/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
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 88 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: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 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/FSE-e361bc6c/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/FSE-e361bc6c/inputs/seq.fa: 1
curr_seq: _GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: GUUUUUAAACGGGUUUGCGGUGUAAGUGCAGCCCGUCUUACACCGUGCGGCACAGGCACUAGUACUGAUGUCGUAUACAGGGCUUUUG
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 88 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: 445
n_atoms_counter: 445
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 88.000000 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: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -352.938673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.938673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.938673 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.766230
where:
bonds (distance) C4'-P energy: -85.499
bonds (distance) P-C4' energy: -79.624
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -73.909
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -477.938463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.938463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.938463 (E_RNA)
where:
Base-Base interactions energy: -221.095
where: short stacking energy: -185.529
Base-Backbone interact. energy: -0.115
local terms energy: -256.728809
where:
bonds (distance) C4'-P energy: -58.387
bonds (distance) P-C4' energy: -66.873
flat angles C4'-P-C4' energy: -57.056
flat angles P-C4'-P energy: -35.287
tors. eta vs tors. theta energy: -39.126
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -441.813848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.813848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.813848 (E_RNA)
where:
Base-Base interactions energy: -195.949
where: short stacking energy: -192.393
Base-Backbone interact. energy: -0.545
local terms energy: -245.319940
where:
bonds (distance) C4'-P energy: -54.076
bonds (distance) P-C4' energy: -56.714
flat angles C4'-P-C4' energy: -53.723
flat angles P-C4'-P energy: -41.666
tors. eta vs tors. theta energy: -39.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -418.893382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.893382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.893382 (E_RNA)
where:
Base-Base interactions energy: -191.227
where: short stacking energy: -168.062
Base-Backbone interact. energy: -0.465
local terms energy: -227.201871
where:
bonds (distance) C4'-P energy: -55.239
bonds (distance) P-C4' energy: -51.323
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -38.064
tors. eta vs tors. theta energy: -35.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -403.673907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.673907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.673907 (E_RNA)
where:
Base-Base interactions energy: -186.811
where: short stacking energy: -146.509
Base-Backbone interact. energy: -0.317
local terms energy: -216.545683
where:
bonds (distance) C4'-P energy: -58.923
bonds (distance) P-C4' energy: -45.626
flat angles C4'-P-C4' energy: -58.922
flat angles P-C4'-P energy: -29.428
tors. eta vs tors. theta energy: -23.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -355.064141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.064141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.064141 (E_RNA)
where:
Base-Base interactions energy: -148.010
where: short stacking energy: -113.898
Base-Backbone interact. energy: -1.015
local terms energy: -206.038867
where:
bonds (distance) C4'-P energy: -55.728
bonds (distance) P-C4' energy: -60.146
flat angles C4'-P-C4' energy: -47.187
flat angles P-C4'-P energy: -36.896
tors. eta vs tors. theta energy: -6.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -359.362631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.362631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.362631 (E_RNA)
where:
Base-Base interactions energy: -137.612
where: short stacking energy: -127.991
Base-Backbone interact. energy: -0.644
local terms energy: -221.106758
where:
bonds (distance) C4'-P energy: -46.059
bonds (distance) P-C4' energy: -53.652
flat angles C4'-P-C4' energy: -48.558
flat angles P-C4'-P energy: -41.201
tors. eta vs tors. theta energy: -31.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -352.419791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.419791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.419791 (E_RNA)
where:
Base-Base interactions energy: -10.282
where: short stacking energy: -10.282
Base-Backbone interact. energy: -0.000
local terms energy: -342.137921
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -64.027
flat angles P-C4'-P energy: -73.835
tors. eta vs tors. theta energy: -39.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -352.347606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.347606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.347606 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.175163
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -64.027
flat angles P-C4'-P energy: -73.872
tors. eta vs tors. theta energy: -39.276
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -352.347606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.347606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.347606 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.175163
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -64.027
flat angles P-C4'-P energy: -73.872
tors. eta vs tors. theta energy: -39.276
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: 2
Temperature: 1.350000
Total energy: -352.347606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.347606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.347606 (E_RNA)
where:
Base-Base interactions energy: -10.172
where: short stacking energy: -10.172
Base-Backbone interact. energy: -0.000
local terms energy: -342.175163
where:
bonds (distance) C4'-P energy: -85.383
bonds (distance) P-C4' energy: -79.617
flat angles C4'-P-C4' energy: -64.027
flat angles P-C4'-P energy: -73.872
tors. eta vs tors. theta energy: -39.276
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -495.831889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.831889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.831889 (E_RNA)
where:
Base-Base interactions energy: -219.409
where: short stacking energy: -195.199
Base-Backbone interact. energy: 0.300
local terms energy: -276.723445
where:
bonds (distance) C4'-P energy: -54.346
bonds (distance) P-C4' energy: -63.642
flat angles C4'-P-C4' energy: -59.830
flat angles P-C4'-P energy: -40.681
tors. eta vs tors. theta energy: -58.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -586.928826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.928826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.928826 (E_RNA)
where:
Base-Base interactions energy: -336.539
where: short stacking energy: -194.576
Base-Backbone interact. energy: -0.684
local terms energy: -249.706171
where:
bonds (distance) C4'-P energy: -57.904
bonds (distance) P-C4' energy: -56.006
flat angles C4'-P-C4' energy: -55.844
flat angles P-C4'-P energy: -34.984
tors. eta vs tors. theta energy: -44.969
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: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -463.240956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.240956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.240956 (E_RNA)
where:
Base-Base interactions energy: -224.672
where: short stacking energy: -183.476
Base-Backbone interact. energy: 2.228
local terms energy: -240.796591
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -59.138
flat angles C4'-P-C4' energy: -49.639
flat angles P-C4'-P energy: -32.546
tors. eta vs tors. theta energy: -51.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -422.144648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.144648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.144648 (E_RNA)
where:
Base-Base interactions energy: -229.361
where: short stacking energy: -142.066
Base-Backbone interact. energy: -1.741
local terms energy: -191.042854
where:
bonds (distance) C4'-P energy: -34.532
bonds (distance) P-C4' energy: -46.956
flat angles C4'-P-C4' energy: -51.489
flat angles P-C4'-P energy: -33.503
tors. eta vs tors. theta energy: -24.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -406.867277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.867277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.867277 (E_RNA)
where:
Base-Base interactions energy: -202.270
where: short stacking energy: -130.525
Base-Backbone interact. energy: 0.796
local terms energy: -205.392396
where:
bonds (distance) C4'-P energy: -53.092
bonds (distance) P-C4' energy: -55.179
flat angles C4'-P-C4' energy: -48.342
flat angles P-C4'-P energy: -25.038
tors. eta vs tors. theta energy: -23.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -420.697958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.697958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.697958 (E_RNA)
where:
Base-Base interactions energy: -207.868
where: short stacking energy: -145.182
Base-Backbone interact. energy: -0.611
local terms energy: -212.218326
where:
bonds (distance) C4'-P energy: -56.648
bonds (distance) P-C4' energy: -49.916
flat angles C4'-P-C4' energy: -54.203
flat angles P-C4'-P energy: -34.236
tors. eta vs tors. theta energy: -17.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -294.705764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.705764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.705764 (E_RNA)
where:
Base-Base interactions energy: -126.900
where: short stacking energy: -106.840
Base-Backbone interact. energy: 0.754
local terms energy: -168.559861
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -44.500
flat angles C4'-P-C4' energy: -47.381
flat angles P-C4'-P energy: -19.004
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -284.157533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.157533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.157533 (E_RNA)
where:
Base-Base interactions energy: -132.673
where: short stacking energy: -98.612
Base-Backbone interact. energy: 1.425
local terms energy: -152.909047
where:
bonds (distance) C4'-P energy: -47.686
bonds (distance) P-C4' energy: -44.592
flat angles C4'-P-C4' energy: -29.073
flat angles P-C4'-P energy: -29.710
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -285.984080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.984080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.984080 (E_RNA)
where:
Base-Base interactions energy: -119.582
where: short stacking energy: -112.593
Base-Backbone interact. energy: -0.422
local terms energy: -165.979456
where:
bonds (distance) C4'-P energy: -41.561
bonds (distance) P-C4' energy: -51.387
flat angles C4'-P-C4' energy: -40.090
flat angles P-C4'-P energy: -23.929
tors. eta vs tors. theta energy: -9.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -273.497459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.497459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.497459 (E_RNA)
where:
Base-Base interactions energy: -96.361
where: short stacking energy: -82.569
Base-Backbone interact. energy: -1.492
local terms energy: -175.644435
where:
bonds (distance) C4'-P energy: -52.527
bonds (distance) P-C4' energy: -47.827
flat angles C4'-P-C4' energy: -42.019
flat angles P-C4'-P energy: -26.404
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -680.878877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.878877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.878877 (E_RNA)
where:
Base-Base interactions energy: -416.221
where: short stacking energy: -206.640
Base-Backbone interact. energy: -1.376
local terms energy: -263.281592
where:
bonds (distance) C4'-P energy: -59.287
bonds (distance) P-C4' energy: -57.106
flat angles C4'-P-C4' energy: -59.039
flat angles P-C4'-P energy: -37.858
tors. eta vs tors. theta energy: -49.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -529.520169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.520169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.520169 (E_RNA)
where:
Base-Base interactions energy: -271.881
where: short stacking energy: -198.831
Base-Backbone interact. energy: -0.751
local terms energy: -256.887669
where:
bonds (distance) C4'-P energy: -56.373
bonds (distance) P-C4' energy: -61.509
flat angles C4'-P-C4' energy: -57.569
flat angles P-C4'-P energy: -31.980
tors. eta vs tors. theta energy: -49.456
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: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -528.183920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.183920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.183920 (E_RNA)
where:
Base-Base interactions energy: -283.098
where: short stacking energy: -167.964
Base-Backbone interact. energy: 2.152
local terms energy: -247.237875
where:
bonds (distance) C4'-P energy: -57.893
bonds (distance) P-C4' energy: -62.447
flat angles C4'-P-C4' energy: -57.788
flat angles P-C4'-P energy: -28.692
tors. eta vs tors. theta energy: -40.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -458.450162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.450162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.450162 (E_RNA)
where:
Base-Base interactions energy: -237.312
where: short stacking energy: -172.005
Base-Backbone interact. energy: -1.628
local terms energy: -219.509818
where:
bonds (distance) C4'-P energy: -56.852
bonds (distance) P-C4' energy: -40.731
flat angles C4'-P-C4' energy: -56.457
flat angles P-C4'-P energy: -32.802
tors. eta vs tors. theta energy: -32.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -481.930829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.930829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.930829 (E_RNA)
where:
Base-Base interactions energy: -284.606
where: short stacking energy: -129.128
Base-Backbone interact. energy: 1.843
local terms energy: -199.167834
where:
bonds (distance) C4'-P energy: -54.711
bonds (distance) P-C4' energy: -57.061
flat angles C4'-P-C4' energy: -45.315
flat angles P-C4'-P energy: -27.034
tors. eta vs tors. theta energy: -15.047
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: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -396.970621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.970621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.970621 (E_RNA)
where:
Base-Base interactions energy: -200.087
where: short stacking energy: -107.888
Base-Backbone interact. energy: 1.004
local terms energy: -197.887586
where:
bonds (distance) C4'-P energy: -54.156
bonds (distance) P-C4' energy: -51.332
flat angles C4'-P-C4' energy: -55.977
flat angles P-C4'-P energy: -29.220
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -420.183574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.183574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.183574 (E_RNA)
where:
Base-Base interactions energy: -238.455
where: short stacking energy: -136.556
Base-Backbone interact. energy: -2.891
local terms energy: -178.837778
where:
bonds (distance) C4'-P energy: -49.695
bonds (distance) P-C4' energy: -46.432
flat angles C4'-P-C4' energy: -37.985
flat angles P-C4'-P energy: -28.762
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -326.820268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.820268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.820268 (E_RNA)
where:
Base-Base interactions energy: -134.926
where: short stacking energy: -96.307
Base-Backbone interact. energy: -0.456
local terms energy: -191.438606
where:
bonds (distance) C4'-P energy: -51.007
bonds (distance) P-C4' energy: -52.090
flat angles C4'-P-C4' energy: -39.630
flat angles P-C4'-P energy: -28.942
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -260.711919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.711919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.711919 (E_RNA)
where:
Base-Base interactions energy: -92.078
where: short stacking energy: -75.097
Base-Backbone interact. energy: -1.662
local terms energy: -166.972542
where:
bonds (distance) C4'-P energy: -40.761
bonds (distance) P-C4' energy: -43.528
flat angles C4'-P-C4' energy: -51.074
flat angles P-C4'-P energy: -34.596
tors. eta vs tors. theta energy: 2.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -237.288940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.288940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.288940 (E_RNA)
where:
Base-Base interactions energy: -79.237
where: short stacking energy: -58.060
Base-Backbone interact. energy: 1.766
local terms energy: -159.818455
where:
bonds (distance) C4'-P energy: -47.334
bonds (distance) P-C4' energy: -58.180
flat angles C4'-P-C4' energy: -35.672
flat angles P-C4'-P energy: -34.161
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: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -711.687830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.687830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.687830 (E_RNA)
where:
Base-Base interactions energy: -447.110
where: short stacking energy: -218.435
Base-Backbone interact. energy: 2.280
local terms energy: -266.857421
where:
bonds (distance) C4'-P energy: -59.829
bonds (distance) P-C4' energy: -55.335
flat angles C4'-P-C4' energy: -53.661
flat angles P-C4'-P energy: -43.399
tors. eta vs tors. theta energy: -54.634
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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -651.232852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.232852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.232852 (E_RNA)
where:
Base-Base interactions energy: -384.478
where: short stacking energy: -224.389
Base-Backbone interact. energy: -1.599
local terms energy: -265.156114
where:
bonds (distance) C4'-P energy: -55.103
bonds (distance) P-C4' energy: -53.834
flat angles C4'-P-C4' energy: -57.932
flat angles P-C4'-P energy: -41.123
tors. eta vs tors. theta energy: -57.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -560.379115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.379115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.379115 (E_RNA)
where:
Base-Base interactions energy: -333.609
where: short stacking energy: -176.271
Base-Backbone interact. energy: -2.425
local terms energy: -224.345564
where:
bonds (distance) C4'-P energy: -57.180
bonds (distance) P-C4' energy: -49.244
flat angles C4'-P-C4' energy: -46.885
flat angles P-C4'-P energy: -40.276
tors. eta vs tors. theta energy: -30.760
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: 5
Temperature: 1.050000
Total energy: -516.057632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.057632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.057632 (E_RNA)
where:
Base-Base interactions energy: -296.295
where: short stacking energy: -151.676
Base-Backbone interact. energy: 3.494
local terms energy: -223.256980
where:
bonds (distance) C4'-P energy: -57.999
bonds (distance) P-C4' energy: -61.943
flat angles C4'-P-C4' energy: -44.811
flat angles P-C4'-P energy: -31.626
tors. eta vs tors. theta energy: -26.877
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: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -407.360076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.360076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.360076 (E_RNA)
where:
Base-Base interactions energy: -212.457
where: short stacking energy: -126.728
Base-Backbone interact. energy: -1.677
local terms energy: -193.225966
where:
bonds (distance) C4'-P energy: -45.577
bonds (distance) P-C4' energy: -54.114
flat angles C4'-P-C4' energy: -41.902
flat angles P-C4'-P energy: -36.548
tors. eta vs tors. theta energy: -15.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -474.160545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.160545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.160545 (E_RNA)
where:
Base-Base interactions energy: -269.877
where: short stacking energy: -168.760
Base-Backbone interact. energy: 0.132
local terms energy: -204.415297
where:
bonds (distance) C4'-P energy: -43.367
bonds (distance) P-C4' energy: -55.460
flat angles C4'-P-C4' energy: -56.635
flat angles P-C4'-P energy: -23.563
tors. eta vs tors. theta energy: -25.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -409.208957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -409.208957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -409.208957 (E_RNA)
where:
Base-Base interactions energy: -213.857
where: short stacking energy: -129.168
Base-Backbone interact. energy: 0.682
local terms energy: -196.033671
where:
bonds (distance) C4'-P energy: -54.865
bonds (distance) P-C4' energy: -49.057
flat angles C4'-P-C4' energy: -42.590
flat angles P-C4'-P energy: -26.316
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -315.923368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.923368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.923368 (E_RNA)
where:
Base-Base interactions energy: -128.820
where: short stacking energy: -103.802
Base-Backbone interact. energy: -0.480
local terms energy: -186.624052
where:
bonds (distance) C4'-P energy: -38.946
bonds (distance) P-C4' energy: -57.603
flat angles C4'-P-C4' energy: -46.110
flat angles P-C4'-P energy: -31.528
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: 9, replica: 8
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -269.093691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.093691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.093691 (E_RNA)
where:
Base-Base interactions energy: -108.552
where: short stacking energy: -102.900
Base-Backbone interact. energy: 0.834
local terms energy: -161.376132
where:
bonds (distance) C4'-P energy: -37.275
bonds (distance) P-C4' energy: -49.156
flat angles C4'-P-C4' energy: -49.720
flat angles P-C4'-P energy: -21.122
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: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -237.535800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.535800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.535800 (E_RNA)
where:
Base-Base interactions energy: -93.023
where: short stacking energy: -65.735
Base-Backbone interact. energy: 0.395
local terms energy: -144.907961
where:
bonds (distance) C4'-P energy: -25.402
bonds (distance) P-C4' energy: -50.578
flat angles C4'-P-C4' energy: -45.450
flat angles P-C4'-P energy: -40.219
tors. eta vs tors. theta energy: 16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -749.684705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.684705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.684705 (E_RNA)
where:
Base-Base interactions energy: -478.053
where: short stacking energy: -237.084
Base-Backbone interact. energy: -0.888
local terms energy: -270.743564
where:
bonds (distance) C4'-P energy: -48.427
bonds (distance) P-C4' energy: -57.515
flat angles C4'-P-C4' energy: -58.527
flat angles P-C4'-P energy: -38.025
tors. eta vs tors. theta energy: -68.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -645.683680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.683680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.683680 (E_RNA)
where:
Base-Base interactions energy: -390.069
where: short stacking energy: -225.874
Base-Backbone interact. energy: -0.531
local terms energy: -255.083231
where:
bonds (distance) C4'-P energy: -53.158
bonds (distance) P-C4' energy: -60.407
flat angles C4'-P-C4' energy: -60.781
flat angles P-C4'-P energy: -34.628
tors. eta vs tors. theta energy: -46.110
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: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -593.155746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.155746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.155746 (E_RNA)
where:
Base-Base interactions energy: -344.963
where: short stacking energy: -184.775
Base-Backbone interact. energy: -0.285
local terms energy: -247.908096
where:
bonds (distance) C4'-P energy: -59.770
bonds (distance) P-C4' energy: -55.431
flat angles C4'-P-C4' energy: -48.550
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -49.069
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: 6
Temperature: 1.050000
Total energy: -616.748947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.748947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.748947 (E_RNA)
where:
Base-Base interactions energy: -381.393
where: short stacking energy: -192.940
Base-Backbone interact. energy: -1.384
local terms energy: -233.972714
where:
bonds (distance) C4'-P energy: -56.042
bonds (distance) P-C4' energy: -50.524
flat angles C4'-P-C4' energy: -59.075
flat angles P-C4'-P energy: -37.400
tors. eta vs tors. theta energy: -30.931
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: 5
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -469.105435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.105435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.105435 (E_RNA)
where:
Base-Base interactions energy: -254.954
where: short stacking energy: -163.741
Base-Backbone interact. energy: -2.432
local terms energy: -211.719926
where:
bonds (distance) C4'-P energy: -49.404
bonds (distance) P-C4' energy: -47.473
flat angles C4'-P-C4' energy: -52.192
flat angles P-C4'-P energy: -33.184
tors. eta vs tors. theta energy: -29.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -410.348574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.348574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.348574 (E_RNA)
where:
Base-Base interactions energy: -203.937
where: short stacking energy: -126.328
Base-Backbone interact. energy: 3.577
local terms energy: -209.989388
where:
bonds (distance) C4'-P energy: -47.670
bonds (distance) P-C4' energy: -59.938
flat angles C4'-P-C4' energy: -50.789
flat angles P-C4'-P energy: -31.125
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -474.912087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.912087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.912087 (E_RNA)
where:
Base-Base interactions energy: -280.051
where: short stacking energy: -159.180
Base-Backbone interact. energy: -0.908
local terms energy: -193.953492
where:
bonds (distance) C4'-P energy: -50.142
bonds (distance) P-C4' energy: -48.410
flat angles C4'-P-C4' energy: -44.812
flat angles P-C4'-P energy: -27.144
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: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -313.897326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.897326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.897326 (E_RNA)
where:
Base-Base interactions energy: -143.645
where: short stacking energy: -109.354
Base-Backbone interact. energy: 0.025
local terms energy: -170.277392
where:
bonds (distance) C4'-P energy: -35.011
bonds (distance) P-C4' energy: -50.082
flat angles C4'-P-C4' energy: -48.176
flat angles P-C4'-P energy: -24.972
tors. eta vs tors. theta energy: -12.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -284.059410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.059410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.059410 (E_RNA)
where:
Base-Base interactions energy: -123.882
where: short stacking energy: -105.254
Base-Backbone interact. energy: -0.191
local terms energy: -159.986446
where:
bonds (distance) C4'-P energy: -41.319
bonds (distance) P-C4' energy: -45.537
flat angles C4'-P-C4' energy: -33.828
flat angles P-C4'-P energy: -25.909
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -241.659140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.659140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.659140 (E_RNA)
where:
Base-Base interactions energy: -104.921
where: short stacking energy: -85.948
Base-Backbone interact. energy: 1.493
local terms energy: -138.231708
where:
bonds (distance) C4'-P energy: -42.072
bonds (distance) P-C4' energy: -50.984
flat angles C4'-P-C4' energy: -26.658
flat angles P-C4'-P energy: -30.131
tors. eta vs tors. theta energy: 11.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -776.641642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.641642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.641642 (E_RNA)
where:
Base-Base interactions energy: -493.188
where: short stacking energy: -252.770
Base-Backbone interact. energy: -0.166
local terms energy: -283.287394
where:
bonds (distance) C4'-P energy: -62.483
bonds (distance) P-C4' energy: -56.166
flat angles C4'-P-C4' energy: -65.982
flat angles P-C4'-P energy: -26.559
tors. eta vs tors. theta energy: -72.099
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: 3
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -686.560494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.560494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.560494 (E_RNA)
where:
Base-Base interactions energy: -424.979
where: short stacking energy: -212.827
Base-Backbone interact. energy: -2.263
local terms energy: -259.318465
where:
bonds (distance) C4'-P energy: -55.724
bonds (distance) P-C4' energy: -51.274
flat angles C4'-P-C4' energy: -56.881
flat angles P-C4'-P energy: -37.518
tors. eta vs tors. theta energy: -57.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -591.726941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.726941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.726941 (E_RNA)
where:
Base-Base interactions energy: -360.323
where: short stacking energy: -183.698
Base-Backbone interact. energy: -1.350
local terms energy: -230.053567
where:
bonds (distance) C4'-P energy: -48.754
bonds (distance) P-C4' energy: -51.047
flat angles C4'-P-C4' energy: -56.812
flat angles P-C4'-P energy: -36.166
tors. eta vs tors. theta energy: -37.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -667.360312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.360312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.360312 (E_RNA)
where:
Base-Base interactions energy: -422.560
where: short stacking energy: -215.380
Base-Backbone interact. energy: -0.521
local terms energy: -244.279349
where:
bonds (distance) C4'-P energy: -44.630
bonds (distance) P-C4' energy: -57.859
flat angles C4'-P-C4' energy: -50.071
flat angles P-C4'-P energy: -36.968
tors. eta vs tors. theta energy: -54.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -495.587590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.587590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.587590 (E_RNA)
where:
Base-Base interactions energy: -280.443
where: short stacking energy: -170.191
Base-Backbone interact. energy: -1.904
local terms energy: -213.240122
where:
bonds (distance) C4'-P energy: -48.783
bonds (distance) P-C4' energy: -54.515
flat angles C4'-P-C4' energy: -45.215
flat angles P-C4'-P energy: -32.923
tors. eta vs tors. theta energy: -31.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -482.737526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.737526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.737526 (E_RNA)
where:
Base-Base interactions energy: -298.183
where: short stacking energy: -134.994
Base-Backbone interact. energy: 1.002
local terms energy: -185.556962
where:
bonds (distance) C4'-P energy: -40.345
bonds (distance) P-C4' energy: -41.593
flat angles C4'-P-C4' energy: -53.930
flat angles P-C4'-P energy: -30.882
tors. eta vs tors. theta energy: -18.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -365.340113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.340113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.340113 (E_RNA)
where:
Base-Base interactions energy: -191.960
where: short stacking energy: -107.069
Base-Backbone interact. energy: -0.745
local terms energy: -172.634713
where:
bonds (distance) C4'-P energy: -44.510
bonds (distance) P-C4' energy: -55.137
flat angles C4'-P-C4' energy: -45.977
flat angles P-C4'-P energy: -25.400
tors. eta vs tors. theta energy: -1.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -306.301283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.301283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.301283 (E_RNA)
where:
Base-Base interactions energy: -127.952
where: short stacking energy: -89.534
Base-Backbone interact. energy: -0.709
local terms energy: -177.640789
where:
bonds (distance) C4'-P energy: -50.146
bonds (distance) P-C4' energy: -54.355
flat angles C4'-P-C4' energy: -38.781
flat angles P-C4'-P energy: -27.591
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -271.717583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.717583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.717583 (E_RNA)
where:
Base-Base interactions energy: -106.730
where: short stacking energy: -66.115
Base-Backbone interact. energy: -1.726
local terms energy: -163.261398
where:
bonds (distance) C4'-P energy: -52.675
bonds (distance) P-C4' energy: -48.129
flat angles C4'-P-C4' energy: -37.464
flat angles P-C4'-P energy: -27.501
tors. eta vs tors. theta energy: 2.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -249.943982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.943982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.943982 (E_RNA)
where:
Base-Base interactions energy: -93.301
where: short stacking energy: -63.861
Base-Backbone interact. energy: 0.739
local terms energy: -157.381584
where:
bonds (distance) C4'-P energy: -43.625
bonds (distance) P-C4' energy: -51.486
flat angles C4'-P-C4' energy: -40.171
flat angles P-C4'-P energy: -28.156
tors. eta vs tors. theta energy: 6.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -774.004505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.004505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.004505 (E_RNA)
where:
Base-Base interactions energy: -484.018
where: short stacking energy: -236.604
Base-Backbone interact. energy: -0.708
local terms energy: -289.278563
where:
bonds (distance) C4'-P energy: -61.575
bonds (distance) P-C4' energy: -58.562
flat angles C4'-P-C4' energy: -59.444
flat angles P-C4'-P energy: -46.115
tors. eta vs tors. theta energy: -63.582
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: 2, replica: 3
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -703.967685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.967685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.967685 (E_RNA)
where:
Base-Base interactions energy: -448.654
where: short stacking energy: -225.434
Base-Backbone interact. energy: -1.286
local terms energy: -254.027988
where:
bonds (distance) C4'-P energy: -59.087
bonds (distance) P-C4' energy: -54.297
flat angles C4'-P-C4' energy: -53.216
flat angles P-C4'-P energy: -39.417
tors. eta vs tors. theta energy: -48.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -697.173278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.173278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.173278 (E_RNA)
where:
Base-Base interactions energy: -456.286
where: short stacking energy: -220.501
Base-Backbone interact. energy: -2.897
local terms energy: -237.989679
where:
bonds (distance) C4'-P energy: -48.911
bonds (distance) P-C4' energy: -45.511
flat angles C4'-P-C4' energy: -58.109
flat angles P-C4'-P energy: -40.907
tors. eta vs tors. theta energy: -44.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -568.799694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.799694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.799694 (E_RNA)
where:
Base-Base interactions energy: -330.492
where: short stacking energy: -176.281
Base-Backbone interact. energy: -1.251
local terms energy: -237.056984
where:
bonds (distance) C4'-P energy: -49.359
bonds (distance) P-C4' energy: -52.864
flat angles C4'-P-C4' energy: -48.848
flat angles P-C4'-P energy: -49.851
tors. eta vs tors. theta energy: -36.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -634.817255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.817255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.817255 (E_RNA)
where:
Base-Base interactions energy: -403.332
where: short stacking energy: -214.126
Base-Backbone interact. energy: 0.012
local terms energy: -231.497484
where:
bonds (distance) C4'-P energy: -53.280
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -51.963
flat angles P-C4'-P energy: -31.233
tors. eta vs tors. theta energy: -42.439
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: 8
Temperature: 1.150000
Total energy: -540.861331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.861331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.861331 (E_RNA)
where:
Base-Base interactions energy: -324.658
where: short stacking energy: -191.935
Base-Backbone interact. energy: -0.275
local terms energy: -215.928378
where:
bonds (distance) C4'-P energy: -47.002
bonds (distance) P-C4' energy: -43.619
flat angles C4'-P-C4' energy: -57.728
flat angles P-C4'-P energy: -24.371
tors. eta vs tors. theta energy: -43.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -388.975105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.975105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.975105 (E_RNA)
where:
Base-Base interactions energy: -205.882
where: short stacking energy: -106.090
Base-Backbone interact. energy: -1.762
local terms energy: -181.330579
where:
bonds (distance) C4'-P energy: -51.193
bonds (distance) P-C4' energy: -50.121
flat angles C4'-P-C4' energy: -41.335
flat angles P-C4'-P energy: -25.813
tors. eta vs tors. theta energy: -12.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -298.853773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.853773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.853773 (E_RNA)
where:
Base-Base interactions energy: -132.313
where: short stacking energy: -97.255
Base-Backbone interact. energy: -1.541
local terms energy: -164.999519
where:
bonds (distance) C4'-P energy: -48.876
bonds (distance) P-C4' energy: -58.728
flat angles C4'-P-C4' energy: -33.589
flat angles P-C4'-P energy: -30.332
tors. eta vs tors. theta energy: 6.525
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: 8
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -324.607630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -324.607630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -324.607630 (E_RNA)
where:
Base-Base interactions energy: -170.186
where: short stacking energy: -93.331
Base-Backbone interact. energy: 1.719
local terms energy: -156.140615
where:
bonds (distance) C4'-P energy: -52.287
bonds (distance) P-C4' energy: -40.028
flat angles C4'-P-C4' energy: -38.701
flat angles P-C4'-P energy: -19.151
tors. eta vs tors. theta energy: -5.974
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: 10
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -253.287774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.287774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.287774 (E_RNA)
where:
Base-Base interactions energy: -75.838
where: short stacking energy: -62.042
Base-Backbone interact. energy: -1.966
local terms energy: -175.483743
where:
bonds (distance) C4'-P energy: -54.605
bonds (distance) P-C4' energy: -48.615
flat angles C4'-P-C4' energy: -48.173
flat angles P-C4'-P energy: -21.001
tors. eta vs tors. theta energy: -3.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -778.974197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.974197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.974197 (E_RNA)
where:
Base-Base interactions energy: -504.268
where: short stacking energy: -229.841
Base-Backbone interact. energy: 1.275
local terms energy: -275.981242
where:
bonds (distance) C4'-P energy: -59.865
bonds (distance) P-C4' energy: -59.092
flat angles C4'-P-C4' energy: -58.827
flat angles P-C4'-P energy: -35.511
tors. eta vs tors. theta energy: -62.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -781.307569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.307569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.307569 (E_RNA)
where:
Base-Base interactions energy: -506.426
where: short stacking energy: -230.387
Base-Backbone interact. energy: -0.175
local terms energy: -274.706854
where:
bonds (distance) C4'-P energy: -52.510
bonds (distance) P-C4' energy: -62.082
flat angles C4'-P-C4' energy: -56.601
flat angles P-C4'-P energy: -43.051
tors. eta vs tors. theta energy: -60.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -704.802921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.802921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.802921 (E_RNA)
where:
Base-Base interactions energy: -455.201
where: short stacking energy: -212.722
Base-Backbone interact. energy: -0.016
local terms energy: -249.586014
where:
bonds (distance) C4'-P energy: -61.547
bonds (distance) P-C4' energy: -44.961
flat angles C4'-P-C4' energy: -53.222
flat angles P-C4'-P energy: -37.155
tors. eta vs tors. theta energy: -52.700
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: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -696.505906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.505906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.505906 (E_RNA)
where:
Base-Base interactions energy: -454.550
where: short stacking energy: -228.167
Base-Backbone interact. energy: 1.505
local terms energy: -243.460363
where:
bonds (distance) C4'-P energy: -49.628
bonds (distance) P-C4' energy: -52.555
flat angles C4'-P-C4' energy: -60.434
flat angles P-C4'-P energy: -32.033
tors. eta vs tors. theta energy: -48.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -540.484504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.484504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.484504 (E_RNA)
where:
Base-Base interactions energy: -320.811
where: short stacking energy: -175.715
Base-Backbone interact. energy: 1.418
local terms energy: -221.091424
where:
bonds (distance) C4'-P energy: -47.660
bonds (distance) P-C4' energy: -48.799
flat angles C4'-P-C4' energy: -47.073
flat angles P-C4'-P energy: -31.499
tors. eta vs tors. theta energy: -46.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -536.522835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.522835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.522835 (E_RNA)
where:
Base-Base interactions energy: -308.757
where: short stacking energy: -155.594
Base-Backbone interact. energy: -0.992
local terms energy: -226.773824
where:
bonds (distance) C4'-P energy: -61.624
bonds (distance) P-C4' energy: -54.351
flat angles C4'-P-C4' energy: -35.464
flat angles P-C4'-P energy: -31.240
tors. eta vs tors. theta energy: -44.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -425.522233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.522233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.522233 (E_RNA)
where:
Base-Base interactions energy: -228.631
where: short stacking energy: -138.374
Base-Backbone interact. energy: -1.475
local terms energy: -195.416869
where:
bonds (distance) C4'-P energy: -45.143
bonds (distance) P-C4' energy: -43.123
flat angles C4'-P-C4' energy: -54.505
flat angles P-C4'-P energy: -25.773
tors. eta vs tors. theta energy: -26.872
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: 8
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -360.793302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.793302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.793302 (E_RNA)
where:
Base-Base interactions energy: -189.850
where: short stacking energy: -100.373
Base-Backbone interact. energy: -2.477
local terms energy: -168.465964
where:
bonds (distance) C4'-P energy: -46.118
bonds (distance) P-C4' energy: -48.610
flat angles C4'-P-C4' energy: -41.362
flat angles P-C4'-P energy: -24.665
tors. eta vs tors. theta energy: -7.711
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: 9
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -251.401784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.401784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.401784 (E_RNA)
where:
Base-Base interactions energy: -100.440
where: short stacking energy: -72.702
Base-Backbone interact. energy: 6.945
local terms energy: -157.907028
where:
bonds (distance) C4'-P energy: -48.944
bonds (distance) P-C4' energy: -52.405
flat angles C4'-P-C4' energy: -45.486
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: 1.200
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: 10, replica: 10
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -261.251182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.251182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.251182 (E_RNA)
where:
Base-Base interactions energy: -116.912
where: short stacking energy: -82.463
Base-Backbone interact. energy: -1.782
local terms energy: -142.557603
where:
bonds (distance) C4'-P energy: -55.046
bonds (distance) P-C4' energy: -44.368
flat angles C4'-P-C4' energy: -25.044
flat angles P-C4'-P energy: -25.745
tors. eta vs tors. theta energy: 7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -818.343198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.343198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.343198 (E_RNA)
where:
Base-Base interactions energy: -544.967
where: short stacking energy: -271.005
Base-Backbone interact. energy: -0.372
local terms energy: -273.003938
where:
bonds (distance) C4'-P energy: -53.568
bonds (distance) P-C4' energy: -52.162
flat angles C4'-P-C4' energy: -59.853
flat angles P-C4'-P energy: -38.167
tors. eta vs tors. theta energy: -69.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -760.419368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.419368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.419368 (E_RNA)
where:
Base-Base interactions energy: -484.085
where: short stacking energy: -236.171
Base-Backbone interact. energy: -1.277
local terms energy: -275.057987
where:
bonds (distance) C4'-P energy: -54.777
bonds (distance) P-C4' energy: -55.385
flat angles C4'-P-C4' energy: -60.835
flat angles P-C4'-P energy: -42.937
tors. eta vs tors. theta energy: -61.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -715.349867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.349867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.349867 (E_RNA)
where:
Base-Base interactions energy: -457.414
where: short stacking energy: -223.579
Base-Backbone interact. energy: -0.603
local terms energy: -257.332310
where:
bonds (distance) C4'-P energy: -53.356
bonds (distance) P-C4' energy: -59.250
flat angles C4'-P-C4' energy: -60.507
flat angles P-C4'-P energy: -32.677
tors. eta vs tors. theta energy: -51.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -715.315469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.315469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.315469 (E_RNA)
where:
Base-Base interactions energy: -485.109
where: short stacking energy: -218.124
Base-Backbone interact. energy: -0.619
local terms energy: -229.588096
where:
bonds (distance) C4'-P energy: -52.680
bonds (distance) P-C4' energy: -46.335
flat angles C4'-P-C4' energy: -56.703
flat angles P-C4'-P energy: -31.282
tors. eta vs tors. theta energy: -42.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -548.299588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.299588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.299588 (E_RNA)
where:
Base-Base interactions energy: -344.617
where: short stacking energy: -144.257
Base-Backbone interact. energy: -1.258
local terms energy: -202.424455
where:
bonds (distance) C4'-P energy: -43.856
bonds (distance) P-C4' energy: -51.760
flat angles C4'-P-C4' energy: -51.022
flat angles P-C4'-P energy: -29.915
tors. eta vs tors. theta energy: -25.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -465.099912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.099912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.099912 (E_RNA)
where:
Base-Base interactions energy: -252.196
where: short stacking energy: -140.363
Base-Backbone interact. energy: -1.273
local terms energy: -211.630925
where:
bonds (distance) C4'-P energy: -45.941
bonds (distance) P-C4' energy: -58.799
flat angles C4'-P-C4' energy: -43.671
flat angles P-C4'-P energy: -39.505
tors. eta vs tors. theta energy: -23.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -425.430352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.430352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.430352 (E_RNA)
where:
Base-Base interactions energy: -230.416
where: short stacking energy: -149.217
Base-Backbone interact. energy: 1.241
local terms energy: -196.255950
where:
bonds (distance) C4'-P energy: -44.646
bonds (distance) P-C4' energy: -44.450
flat angles C4'-P-C4' energy: -49.570
flat angles P-C4'-P energy: -28.091
tors. eta vs tors. theta energy: -29.500
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: 4
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -416.285976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.285976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.285976 (E_RNA)
where:
Base-Base interactions energy: -214.964
where: short stacking energy: -108.367
Base-Backbone interact. energy: -0.212
local terms energy: -201.109952
where:
bonds (distance) C4'-P energy: -48.706
bonds (distance) P-C4' energy: -53.967
flat angles C4'-P-C4' energy: -49.084
flat angles P-C4'-P energy: -28.698
tors. eta vs tors. theta energy: -20.655
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: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -264.940500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.940500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.940500 (E_RNA)
where:
Base-Base interactions energy: -100.453
where: short stacking energy: -77.285
Base-Backbone interact. energy: -1.373
local terms energy: -163.114156
where:
bonds (distance) C4'-P energy: -41.736
bonds (distance) P-C4' energy: -51.388
flat angles C4'-P-C4' energy: -44.124
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -3.266
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: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -238.614670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.614670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.614670 (E_RNA)
where:
Base-Base interactions energy: -85.065
where: short stacking energy: -63.736
Base-Backbone interact. energy: 2.841
local terms energy: -156.390553
where:
bonds (distance) C4'-P energy: -51.356
bonds (distance) P-C4' energy: -56.817
flat angles C4'-P-C4' energy: -27.033
flat angles P-C4'-P energy: -23.552
tors. eta vs tors. theta energy: 2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -838.370523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.370523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.370523 (E_RNA)
where:
Base-Base interactions energy: -542.609
where: short stacking energy: -259.142
Base-Backbone interact. energy: -1.374
local terms energy: -294.387776
where:
bonds (distance) C4'-P energy: -57.599
bonds (distance) P-C4' energy: -61.538
flat angles C4'-P-C4' energy: -62.245
flat angles P-C4'-P energy: -44.140
tors. eta vs tors. theta energy: -68.866
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: 2
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -752.570752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.570752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.570752 (E_RNA)
where:
Base-Base interactions energy: -489.397
where: short stacking energy: -241.756
Base-Backbone interact. energy: -2.040
local terms energy: -261.133059
where:
bonds (distance) C4'-P energy: -48.214
bonds (distance) P-C4' energy: -51.479
flat angles C4'-P-C4' energy: -58.502
flat angles P-C4'-P energy: -34.681
tors. eta vs tors. theta energy: -68.257
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -678.467473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.467473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.467473 (E_RNA)
where:
Base-Base interactions energy: -428.349
where: short stacking energy: -188.616
Base-Backbone interact. energy: -0.429
local terms energy: -249.689469
where:
bonds (distance) C4'-P energy: -57.749
bonds (distance) P-C4' energy: -54.249
flat angles C4'-P-C4' energy: -53.043
flat angles P-C4'-P energy: -27.439
tors. eta vs tors. theta energy: -57.209
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: 11
Temperature: 1.050000
Total energy: -725.345888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.345888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.345888 (E_RNA)
where:
Base-Base interactions energy: -495.932
where: short stacking energy: -220.427
Base-Backbone interact. energy: -2.194
local terms energy: -227.220741
where:
bonds (distance) C4'-P energy: -45.695
bonds (distance) P-C4' energy: -46.053
flat angles C4'-P-C4' energy: -49.905
flat angles P-C4'-P energy: -35.061
tors. eta vs tors. theta energy: -50.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -557.964135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.964135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.964135 (E_RNA)
where:
Base-Base interactions energy: -340.600
where: short stacking energy: -165.070
Base-Backbone interact. energy: -0.763
local terms energy: -216.600434
where:
bonds (distance) C4'-P energy: -49.983
bonds (distance) P-C4' energy: -54.725
flat angles C4'-P-C4' energy: -51.740
flat angles P-C4'-P energy: -32.761
tors. eta vs tors. theta energy: -27.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -458.985567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.985567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.985567 (E_RNA)
where:
Base-Base interactions energy: -259.176
where: short stacking energy: -128.404
Base-Backbone interact. energy: -3.674
local terms energy: -196.135900
where:
bonds (distance) C4'-P energy: -53.004
bonds (distance) P-C4' energy: -44.354
flat angles C4'-P-C4' energy: -46.979
flat angles P-C4'-P energy: -31.478
tors. eta vs tors. theta energy: -20.321
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: 11
Temperature: 1.200000
Total energy: -435.213711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.213711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.213711 (E_RNA)
where:
Base-Base interactions energy: -242.139
where: short stacking energy: -146.672
Base-Backbone interact. energy: -0.121
local terms energy: -192.954465
where:
bonds (distance) C4'-P energy: -52.095
bonds (distance) P-C4' energy: -48.086
flat angles C4'-P-C4' energy: -49.002
flat angles P-C4'-P energy: -22.210
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -425.296437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.296437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.296437 (E_RNA)
where:
Base-Base interactions energy: -233.870
where: short stacking energy: -137.138
Base-Backbone interact. energy: -0.547
local terms energy: -190.879484
where:
bonds (distance) C4'-P energy: -45.036
bonds (distance) P-C4' energy: -57.002
flat angles C4'-P-C4' energy: -46.537
flat angles P-C4'-P energy: -31.218
tors. eta vs tors. theta energy: -11.087
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: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -269.578120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.578120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.578120 (E_RNA)
where:
Base-Base interactions energy: -105.121
where: short stacking energy: -77.879
Base-Backbone interact. energy: 4.859
local terms energy: -169.316308
where:
bonds (distance) C4'-P energy: -50.599
bonds (distance) P-C4' energy: -48.702
flat angles C4'-P-C4' energy: -45.641
flat angles P-C4'-P energy: -21.713
tors. eta vs tors. theta energy: -2.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -248.152253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.152253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.152253 (E_RNA)
where:
Base-Base interactions energy: -102.145
where: short stacking energy: -90.502
Base-Backbone interact. energy: -0.964
local terms energy: -145.043741
where:
bonds (distance) C4'-P energy: -40.875
bonds (distance) P-C4' energy: -44.710
flat angles C4'-P-C4' energy: -35.815
flat angles P-C4'-P energy: -20.052
tors. eta vs tors. theta energy: -3.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -859.818049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.818049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.818049 (E_RNA)
where:
Base-Base interactions energy: -561.635
where: short stacking energy: -258.567
Base-Backbone interact. energy: -2.010
local terms energy: -296.173838
where:
bonds (distance) C4'-P energy: -54.429
bonds (distance) P-C4' energy: -59.823
flat angles C4'-P-C4' energy: -67.152
flat angles P-C4'-P energy: -43.542
tors. eta vs tors. theta energy: -71.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -784.573348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.573348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.573348 (E_RNA)
where:
Base-Base interactions energy: -515.521
where: short stacking energy: -242.290
Base-Backbone interact. energy: -0.426
local terms energy: -268.626315
where:
bonds (distance) C4'-P energy: -61.514
bonds (distance) P-C4' energy: -56.042
flat angles C4'-P-C4' energy: -45.686
flat angles P-C4'-P energy: -36.260
tors. eta vs tors. theta energy: -69.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -781.186385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.186385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.186385 (E_RNA)
where:
Base-Base interactions energy: -520.894
where: short stacking energy: -219.913
Base-Backbone interact. energy: -0.786
local terms energy: -259.506278
where:
bonds (distance) C4'-P energy: -55.465
bonds (distance) P-C4' energy: -53.507
flat angles C4'-P-C4' energy: -62.009
flat angles P-C4'-P energy: -34.341
tors. eta vs tors. theta energy: -54.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -668.265937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.265937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.265937 (E_RNA)
where:
Base-Base interactions energy: -443.264
where: short stacking energy: -184.981
Base-Backbone interact. energy: -2.169
local terms energy: -222.832216
where:
bonds (distance) C4'-P energy: -50.121
bonds (distance) P-C4' energy: -47.376
flat angles C4'-P-C4' energy: -52.792
flat angles P-C4'-P energy: -36.468
tors. eta vs tors. theta energy: -36.075
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: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -532.591299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.591299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.591299 (E_RNA)
where:
Base-Base interactions energy: -324.488
where: short stacking energy: -150.472
Base-Backbone interact. energy: -2.980
local terms energy: -205.123616
where:
bonds (distance) C4'-P energy: -49.025
bonds (distance) P-C4' energy: -50.439
flat angles C4'-P-C4' energy: -51.358
flat angles P-C4'-P energy: -27.081
tors. eta vs tors. theta energy: -27.220
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: 6, replica: 5
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -498.475135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.475135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.475135 (E_RNA)
where:
Base-Base interactions energy: -278.263
where: short stacking energy: -161.597
Base-Backbone interact. energy: -1.317
local terms energy: -218.894523
where:
bonds (distance) C4'-P energy: -56.990
bonds (distance) P-C4' energy: -43.292
flat angles C4'-P-C4' energy: -42.057
flat angles P-C4'-P energy: -32.423
tors. eta vs tors. theta energy: -44.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -429.714886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.714886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.714886 (E_RNA)
where:
Base-Base interactions energy: -231.804
where: short stacking energy: -143.759
Base-Backbone interact. energy: 0.084
local terms energy: -197.995203
where:
bonds (distance) C4'-P energy: -41.939
bonds (distance) P-C4' energy: -45.486
flat angles C4'-P-C4' energy: -57.342
flat angles P-C4'-P energy: -31.549
tors. eta vs tors. theta energy: -21.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -417.578585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.578585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.578585 (E_RNA)
where:
Base-Base interactions energy: -228.247
where: short stacking energy: -153.698
Base-Backbone interact. energy: -1.294
local terms energy: -188.037969
where:
bonds (distance) C4'-P energy: -43.136
bonds (distance) P-C4' energy: -50.465
flat angles C4'-P-C4' energy: -43.822
flat angles P-C4'-P energy: -29.782
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: 9, replica: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -306.110034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -306.110034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -306.110034 (E_RNA)
where:
Base-Base interactions energy: -136.909
where: short stacking energy: -100.424
Base-Backbone interact. energy: -1.003
local terms energy: -168.198210
where:
bonds (distance) C4'-P energy: -36.188
bonds (distance) P-C4' energy: -51.973
flat angles C4'-P-C4' energy: -50.487
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -0.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -242.470541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.470541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.470541 (E_RNA)
where:
Base-Base interactions energy: -84.836
where: short stacking energy: -70.349
Base-Backbone interact. energy: 2.027
local terms energy: -159.661742
where:
bonds (distance) C4'-P energy: -44.261
bonds (distance) P-C4' energy: -53.123
flat angles C4'-P-C4' energy: -39.323
flat angles P-C4'-P energy: -20.468
tors. eta vs tors. theta energy: -2.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -875.165069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.165069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.165069 (E_RNA)
where:
Base-Base interactions energy: -581.653
where: short stacking energy: -257.310
Base-Backbone interact. energy: -0.608
local terms energy: -292.904548
where:
bonds (distance) C4'-P energy: -62.171
bonds (distance) P-C4' energy: -54.460
flat angles C4'-P-C4' energy: -62.898
flat angles P-C4'-P energy: -48.170
tors. eta vs tors. theta energy: -65.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -817.014181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.014181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.014181 (E_RNA)
where:
Base-Base interactions energy: -535.375
where: short stacking energy: -245.748
Base-Backbone interact. energy: 0.393
local terms energy: -282.032525
where:
bonds (distance) C4'-P energy: -56.750
bonds (distance) P-C4' energy: -57.741
flat angles C4'-P-C4' energy: -60.601
flat angles P-C4'-P energy: -39.803
tors. eta vs tors. theta energy: -67.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -800.176959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.176959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.176959 (E_RNA)
where:
Base-Base interactions energy: -538.859
where: short stacking energy: -226.857
Base-Backbone interact. energy: -1.784
local terms energy: -259.533787
where:
bonds (distance) C4'-P energy: -48.041
bonds (distance) P-C4' energy: -59.107
flat angles C4'-P-C4' energy: -54.884
flat angles P-C4'-P energy: -38.055
tors. eta vs tors. theta energy: -59.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -712.298080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.298080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.298080 (E_RNA)
where:
Base-Base interactions energy: -459.405
where: short stacking energy: -208.198
Base-Backbone interact. energy: -2.103
local terms energy: -250.790563
where:
bonds (distance) C4'-P energy: -55.834
bonds (distance) P-C4' energy: -56.534
flat angles C4'-P-C4' energy: -49.021
flat angles P-C4'-P energy: -34.057
tors. eta vs tors. theta energy: -55.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -518.428324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.428324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.428324 (E_RNA)
where:
Base-Base interactions energy: -299.080
where: short stacking energy: -138.436
Base-Backbone interact. energy: -0.981
local terms energy: -218.366445
where:
bonds (distance) C4'-P energy: -56.056
bonds (distance) P-C4' energy: -46.337
flat angles C4'-P-C4' energy: -58.568
flat angles P-C4'-P energy: -28.933
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: 6, replica: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -547.287623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.287623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.287623 (E_RNA)
where:
Base-Base interactions energy: -325.475
where: short stacking energy: -164.557
Base-Backbone interact. energy: -0.032
local terms energy: -221.781060
where:
bonds (distance) C4'-P energy: -47.580
bonds (distance) P-C4' energy: -59.906
flat angles C4'-P-C4' energy: -51.555
flat angles P-C4'-P energy: -34.333
tors. eta vs tors. theta energy: -28.407
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: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -465.176260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.176260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.176260 (E_RNA)
where:
Base-Base interactions energy: -273.780
where: short stacking energy: -149.892
Base-Backbone interact. energy: -1.308
local terms energy: -190.087944
where:
bonds (distance) C4'-P energy: -54.114
bonds (distance) P-C4' energy: -41.985
flat angles C4'-P-C4' energy: -38.952
flat angles P-C4'-P energy: -31.981
tors. eta vs tors. theta energy: -23.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -422.654989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.654989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.654989 (E_RNA)
where:
Base-Base interactions energy: -238.693
where: short stacking energy: -141.566
Base-Backbone interact. energy: -0.420
local terms energy: -183.541975
where:
bonds (distance) C4'-P energy: -53.944
bonds (distance) P-C4' energy: -42.515
flat angles C4'-P-C4' energy: -44.598
flat angles P-C4'-P energy: -22.288
tors. eta vs tors. theta energy: -20.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -321.135935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.135935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.135935 (E_RNA)
where:
Base-Base interactions energy: -143.000
where: short stacking energy: -85.337
Base-Backbone interact. energy: -0.433
local terms energy: -177.702827
where:
bonds (distance) C4'-P energy: -46.835
bonds (distance) P-C4' energy: -55.818
flat angles C4'-P-C4' energy: -42.338
flat angles P-C4'-P energy: -31.361
tors. eta vs tors. theta energy: -1.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -260.192350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.192350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.192350 (E_RNA)
where:
Base-Base interactions energy: -98.980
where: short stacking energy: -92.283
Base-Backbone interact. energy: -0.566
local terms energy: -160.646439
where:
bonds (distance) C4'-P energy: -53.189
bonds (distance) P-C4' energy: -46.961
flat angles C4'-P-C4' energy: -45.668
flat angles P-C4'-P energy: -15.351
tors. eta vs tors. theta energy: 0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -885.069169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.069169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.069169 (E_RNA)
where:
Base-Base interactions energy: -595.465
where: short stacking energy: -262.356
Base-Backbone interact. energy: -0.945
local terms energy: -288.659929
where:
bonds (distance) C4'-P energy: -59.598
bonds (distance) P-C4' energy: -52.242
flat angles C4'-P-C4' energy: -66.545
flat angles P-C4'-P energy: -39.077
tors. eta vs tors. theta energy: -71.197
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: 2, replica: 2
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -804.181295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.181295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.181295 (E_RNA)
where:
Base-Base interactions energy: -525.331
where: short stacking energy: -234.220
Base-Backbone interact. energy: -0.647
local terms energy: -278.203175
where:
bonds (distance) C4'-P energy: -45.104
bonds (distance) P-C4' energy: -53.382
flat angles C4'-P-C4' energy: -59.769
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -79.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -808.496880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.496880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.496880 (E_RNA)
where:
Base-Base interactions energy: -544.191
where: short stacking energy: -223.267
Base-Backbone interact. energy: -2.219
local terms energy: -262.087281
where:
bonds (distance) C4'-P energy: -54.768
bonds (distance) P-C4' energy: -54.970
flat angles C4'-P-C4' energy: -61.263
flat angles P-C4'-P energy: -38.489
tors. eta vs tors. theta energy: -52.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -698.474693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.474693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.474693 (E_RNA)
where:
Base-Base interactions energy: -450.430
where: short stacking energy: -210.496
Base-Backbone interact. energy: -1.125
local terms energy: -246.919839
where:
bonds (distance) C4'-P energy: -45.048
bonds (distance) P-C4' energy: -54.323
flat angles C4'-P-C4' energy: -57.351
flat angles P-C4'-P energy: -33.354
tors. eta vs tors. theta energy: -56.844
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: 5
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -619.214420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.214420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.214420 (E_RNA)
where:
Base-Base interactions energy: -385.607
where: short stacking energy: -200.087
Base-Backbone interact. energy: -0.778
local terms energy: -232.829849
where:
bonds (distance) C4'-P energy: -50.038
bonds (distance) P-C4' energy: -50.775
flat angles C4'-P-C4' energy: -53.727
flat angles P-C4'-P energy: -27.463
tors. eta vs tors. theta energy: -50.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -552.443601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.443601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.443601 (E_RNA)
where:
Base-Base interactions energy: -341.390
where: short stacking energy: -157.312
Base-Backbone interact. energy: 2.239
local terms energy: -213.293192
where:
bonds (distance) C4'-P energy: -47.800
bonds (distance) P-C4' energy: -54.918
flat angles C4'-P-C4' energy: -53.814
flat angles P-C4'-P energy: -33.878
tors. eta vs tors. theta energy: -22.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -499.512015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.512015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.512015 (E_RNA)
where:
Base-Base interactions energy: -293.109
where: short stacking energy: -162.591
Base-Backbone interact. energy: 2.614
local terms energy: -209.016276
where:
bonds (distance) C4'-P energy: -49.019
bonds (distance) P-C4' energy: -46.278
flat angles C4'-P-C4' energy: -52.247
flat angles P-C4'-P energy: -33.139
tors. eta vs tors. theta energy: -28.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -472.683628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.683628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.683628 (E_RNA)
where:
Base-Base interactions energy: -272.178
where: short stacking energy: -122.986
Base-Backbone interact. energy: -0.907
local terms energy: -199.598931
where:
bonds (distance) C4'-P energy: -48.226
bonds (distance) P-C4' energy: -56.798
flat angles C4'-P-C4' energy: -54.796
flat angles P-C4'-P energy: -21.904
tors. eta vs tors. theta energy: -17.875
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: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -315.762986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.762986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.762986 (E_RNA)
where:
Base-Base interactions energy: -153.324
where: short stacking energy: -96.883
Base-Backbone interact. energy: -1.419
local terms energy: -161.020919
where:
bonds (distance) C4'-P energy: -45.097
bonds (distance) P-C4' energy: -61.560
flat angles C4'-P-C4' energy: -42.250
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -1.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -248.642424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.642424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.642424 (E_RNA)
where:
Base-Base interactions energy: -84.946
where: short stacking energy: -70.136
Base-Backbone interact. energy: -0.453
local terms energy: -163.243446
where:
bonds (distance) C4'-P energy: -42.347
bonds (distance) P-C4' energy: -59.707
flat angles C4'-P-C4' energy: -46.221
flat angles P-C4'-P energy: -19.065
tors. eta vs tors. theta energy: 4.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -894.071482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.071482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.071482 (E_RNA)
where:
Base-Base interactions energy: -576.519
where: short stacking energy: -254.270
Base-Backbone interact. energy: -0.508
local terms energy: -317.044803
where:
bonds (distance) C4'-P energy: -57.888
bonds (distance) P-C4' energy: -64.898
flat angles C4'-P-C4' energy: -64.136
flat angles P-C4'-P energy: -55.416
tors. eta vs tors. theta energy: -74.706
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: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -826.349703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.349703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.349703 (E_RNA)
where:
Base-Base interactions energy: -536.410
where: short stacking energy: -234.176
Base-Backbone interact. energy: -0.611
local terms energy: -289.328616
where:
bonds (distance) C4'-P energy: -49.741
bonds (distance) P-C4' energy: -65.640
flat angles C4'-P-C4' energy: -59.571
flat angles P-C4'-P energy: -39.274
tors. eta vs tors. theta energy: -75.102
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: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -833.913382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.913382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.913382 (E_RNA)
where:
Base-Base interactions energy: -572.778
where: short stacking energy: -234.810
Base-Backbone interact. energy: 0.307
local terms energy: -261.441646
where:
bonds (distance) C4'-P energy: -43.489
bonds (distance) P-C4' energy: -55.486
flat angles C4'-P-C4' energy: -58.921
flat angles P-C4'-P energy: -46.842
tors. eta vs tors. theta energy: -56.703
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: 3
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -700.780585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.780585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.780585 (E_RNA)
where:
Base-Base interactions energy: -437.295
where: short stacking energy: -216.201
Base-Backbone interact. energy: 3.726
local terms energy: -267.211669
where:
bonds (distance) C4'-P energy: -55.907
bonds (distance) P-C4' energy: -62.559
flat angles C4'-P-C4' energy: -59.333
flat angles P-C4'-P energy: -34.951
tors. eta vs tors. theta energy: -54.463
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: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -654.489786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.489786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.489786 (E_RNA)
where:
Base-Base interactions energy: -387.700
where: short stacking energy: -229.662
Base-Backbone interact. energy: -0.940
local terms energy: -265.849503
where:
bonds (distance) C4'-P energy: -56.240
bonds (distance) P-C4' energy: -55.397
flat angles C4'-P-C4' energy: -60.454
flat angles P-C4'-P energy: -39.646
tors. eta vs tors. theta energy: -54.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -551.062690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.062690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.062690 (E_RNA)
where:
Base-Base interactions energy: -321.624
where: short stacking energy: -162.003
Base-Backbone interact. energy: 2.231
local terms energy: -231.669449
where:
bonds (distance) C4'-P energy: -49.040
bonds (distance) P-C4' energy: -54.934
flat angles C4'-P-C4' energy: -55.241
flat angles P-C4'-P energy: -36.371
tors. eta vs tors. theta energy: -36.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -502.000139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.000139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.000139 (E_RNA)
where:
Base-Base interactions energy: -308.198
where: short stacking energy: -152.647
Base-Backbone interact. energy: -0.795
local terms energy: -193.006700
where:
bonds (distance) C4'-P energy: -51.481
bonds (distance) P-C4' energy: -50.178
flat angles C4'-P-C4' energy: -41.537
flat angles P-C4'-P energy: -28.563
tors. eta vs tors. theta energy: -21.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -477.747448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.747448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.747448 (E_RNA)
where:
Base-Base interactions energy: -291.802
where: short stacking energy: -146.781
Base-Backbone interact. energy: -1.307
local terms energy: -184.638323
where:
bonds (distance) C4'-P energy: -45.051
bonds (distance) P-C4' energy: -47.459
flat angles C4'-P-C4' energy: -49.591
flat angles P-C4'-P energy: -20.777
tors. eta vs tors. theta energy: -21.760
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: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -319.002513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -319.002513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -319.002513 (E_RNA)
where:
Base-Base interactions energy: -145.028
where: short stacking energy: -104.505
Base-Backbone interact. energy: 0.168
local terms energy: -174.143127
where:
bonds (distance) C4'-P energy: -40.478
bonds (distance) P-C4' energy: -53.236
flat angles C4'-P-C4' energy: -38.458
flat angles P-C4'-P energy: -32.404
tors. eta vs tors. theta energy: -9.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -241.978128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.978128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.978128 (E_RNA)
where:
Base-Base interactions energy: -78.226
where: short stacking energy: -63.718
Base-Backbone interact. energy: -0.182
local terms energy: -163.570473
where:
bonds (distance) C4'-P energy: -50.476
bonds (distance) P-C4' energy: -57.280
flat angles C4'-P-C4' energy: -33.338
flat angles P-C4'-P energy: -27.134
tors. eta vs tors. theta energy: 4.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -889.680192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.680192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.680192 (E_RNA)
where:
Base-Base interactions energy: -599.179
where: short stacking energy: -249.311
Base-Backbone interact. energy: -1.786
local terms energy: -288.715340
where:
bonds (distance) C4'-P energy: -67.198
bonds (distance) P-C4' energy: -56.131
flat angles C4'-P-C4' energy: -60.032
flat angles P-C4'-P energy: -39.141
tors. eta vs tors. theta energy: -66.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -808.828187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.828187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.828187 (E_RNA)
where:
Base-Base interactions energy: -524.703
where: short stacking energy: -251.580
Base-Backbone interact. energy: -0.791
local terms energy: -283.334289
where:
bonds (distance) C4'-P energy: -59.193
bonds (distance) P-C4' energy: -58.826
flat angles C4'-P-C4' energy: -53.537
flat angles P-C4'-P energy: -36.762
tors. eta vs tors. theta energy: -75.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -842.464535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.464535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.464535 (E_RNA)
where:
Base-Base interactions energy: -574.997
where: short stacking energy: -228.669
Base-Backbone interact. energy: 0.325
local terms energy: -267.791582
where:
bonds (distance) C4'-P energy: -53.167
bonds (distance) P-C4' energy: -58.277
flat angles C4'-P-C4' energy: -62.123
flat angles P-C4'-P energy: -37.879
tors. eta vs tors. theta energy: -56.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -691.470115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.470115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.470115 (E_RNA)
where:
Base-Base interactions energy: -433.109
where: short stacking energy: -214.522
Base-Backbone interact. energy: -2.140
local terms energy: -256.220805
where:
bonds (distance) C4'-P energy: -43.583
bonds (distance) P-C4' energy: -63.212
flat angles C4'-P-C4' energy: -56.486
flat angles P-C4'-P energy: -38.599
tors. eta vs tors. theta energy: -54.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -602.693904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.693904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.693904 (E_RNA)
where:
Base-Base interactions energy: -363.806
where: short stacking energy: -193.178
Base-Backbone interact. energy: 3.148
local terms energy: -242.035677
where:
bonds (distance) C4'-P energy: -47.526
bonds (distance) P-C4' energy: -51.546
flat angles C4'-P-C4' energy: -62.408
flat angles P-C4'-P energy: -37.600
tors. eta vs tors. theta energy: -42.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -521.316894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.316894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.316894 (E_RNA)
where:
Base-Base interactions energy: -291.326
where: short stacking energy: -162.123
Base-Backbone interact. energy: -1.522
local terms energy: -228.469078
where:
bonds (distance) C4'-P energy: -46.761
bonds (distance) P-C4' energy: -51.033
flat angles C4'-P-C4' energy: -61.844
flat angles P-C4'-P energy: -34.922
tors. eta vs tors. theta energy: -33.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -476.838468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.838468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.838468 (E_RNA)
where:
Base-Base interactions energy: -265.675
where: short stacking energy: -134.966
Base-Backbone interact. energy: -0.677
local terms energy: -210.486343
where:
bonds (distance) C4'-P energy: -58.597
bonds (distance) P-C4' energy: -56.055
flat angles C4'-P-C4' energy: -48.179
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: -13.725
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: 1
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -392.073421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.073421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.073421 (E_RNA)
where:
Base-Base interactions energy: -234.263
where: short stacking energy: -140.169
Base-Backbone interact. energy: -0.584
local terms energy: -157.226290
where:
bonds (distance) C4'-P energy: -42.527
bonds (distance) P-C4' energy: -44.476
flat angles C4'-P-C4' energy: -33.032
flat angles P-C4'-P energy: -30.401
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -332.776282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.776282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.776282 (E_RNA)
where:
Base-Base interactions energy: -155.300
where: short stacking energy: -111.560
Base-Backbone interact. energy: -0.688
local terms energy: -176.788525
where:
bonds (distance) C4'-P energy: -45.108
bonds (distance) P-C4' energy: -47.218
flat angles C4'-P-C4' energy: -36.926
flat angles P-C4'-P energy: -30.513
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -272.301799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.301799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.301799 (E_RNA)
where:
Base-Base interactions energy: -103.872
where: short stacking energy: -66.773
Base-Backbone interact. energy: 0.866
local terms energy: -169.295858
where:
bonds (distance) C4'-P energy: -45.818
bonds (distance) P-C4' energy: -48.686
flat angles C4'-P-C4' energy: -44.189
flat angles P-C4'-P energy: -28.437
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -886.454774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.454774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.454774 (E_RNA)
where:
Base-Base interactions energy: -592.113
where: short stacking energy: -261.627
Base-Backbone interact. energy: -3.693
local terms energy: -290.648753
where:
bonds (distance) C4'-P energy: -57.292
bonds (distance) P-C4' energy: -55.284
flat angles C4'-P-C4' energy: -59.320
flat angles P-C4'-P energy: -44.322
tors. eta vs tors. theta energy: -74.430
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: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -823.932433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.932433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.932433 (E_RNA)
where:
Base-Base interactions energy: -543.986
where: short stacking energy: -256.113
Base-Backbone interact. energy: 0.377
local terms energy: -280.323205
where:
bonds (distance) C4'-P energy: -50.104
bonds (distance) P-C4' energy: -55.195
flat angles C4'-P-C4' energy: -61.778
flat angles P-C4'-P energy: -40.000
tors. eta vs tors. theta energy: -73.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -858.261578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.261578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.261578 (E_RNA)
where:
Base-Base interactions energy: -579.691
where: short stacking energy: -254.431
Base-Backbone interact. energy: -1.382
local terms energy: -277.187669
where:
bonds (distance) C4'-P energy: -48.691
bonds (distance) P-C4' energy: -49.491
flat angles C4'-P-C4' energy: -64.666
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -68.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -697.706086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.706086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.706086 (E_RNA)
where:
Base-Base interactions energy: -443.191
where: short stacking energy: -222.775
Base-Backbone interact. energy: 0.100
local terms energy: -254.614847
where:
bonds (distance) C4'-P energy: -50.892
bonds (distance) P-C4' energy: -51.773
flat angles C4'-P-C4' energy: -53.034
flat angles P-C4'-P energy: -39.224
tors. eta vs tors. theta energy: -59.692
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: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -614.555123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.555123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.555123 (E_RNA)
where:
Base-Base interactions energy: -367.237
where: short stacking energy: -186.676
Base-Backbone interact. energy: -1.081
local terms energy: -246.237235
where:
bonds (distance) C4'-P energy: -53.251
bonds (distance) P-C4' energy: -49.176
flat angles C4'-P-C4' energy: -62.760
flat angles P-C4'-P energy: -32.112
tors. eta vs tors. theta energy: -48.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -531.229510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.229510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.229510 (E_RNA)
where:
Base-Base interactions energy: -317.872
where: short stacking energy: -170.462
Base-Backbone interact. energy: -3.010
local terms energy: -210.346962
where:
bonds (distance) C4'-P energy: -53.542
bonds (distance) P-C4' energy: -47.411
flat angles C4'-P-C4' energy: -48.067
flat angles P-C4'-P energy: -33.104
tors. eta vs tors. theta energy: -28.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -526.725352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.725352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.725352 (E_RNA)
where:
Base-Base interactions energy: -324.615
where: short stacking energy: -167.523
Base-Backbone interact. energy: 1.390
local terms energy: -203.500345
where:
bonds (distance) C4'-P energy: -50.519
bonds (distance) P-C4' energy: -50.650
flat angles C4'-P-C4' energy: -42.080
flat angles P-C4'-P energy: -30.941
tors. eta vs tors. theta energy: -29.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -416.834745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.834745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.834745 (E_RNA)
where:
Base-Base interactions energy: -227.974
where: short stacking energy: -133.218
Base-Backbone interact. energy: -0.904
local terms energy: -187.957096
where:
bonds (distance) C4'-P energy: -42.681
bonds (distance) P-C4' energy: -50.587
flat angles C4'-P-C4' energy: -50.271
flat angles P-C4'-P energy: -26.624
tors. eta vs tors. theta energy: -17.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -313.931462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -313.931462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -313.931462 (E_RNA)
where:
Base-Base interactions energy: -138.167
where: short stacking energy: -100.938
Base-Backbone interact. energy: 0.486
local terms energy: -176.250160
where:
bonds (distance) C4'-P energy: -53.034
bonds (distance) P-C4' energy: -49.817
flat angles C4'-P-C4' energy: -45.026
flat angles P-C4'-P energy: -18.592
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -291.829058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.829058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.829058 (E_RNA)
where:
Base-Base interactions energy: -153.304
where: short stacking energy: -89.090
Base-Backbone interact. energy: 3.260
local terms energy: -141.785436
where:
bonds (distance) C4'-P energy: -44.700
bonds (distance) P-C4' energy: -38.633
flat angles C4'-P-C4' energy: -39.137
flat angles P-C4'-P energy: -27.005
tors. eta vs tors. theta energy: 7.690
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: 2
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -881.374130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.374130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.374130 (E_RNA)
where:
Base-Base interactions energy: -578.174
where: short stacking energy: -274.611
Base-Backbone interact. energy: -0.960
local terms energy: -302.240298
where:
bonds (distance) C4'-P energy: -52.463
bonds (distance) P-C4' energy: -57.308
flat angles C4'-P-C4' energy: -62.064
flat angles P-C4'-P energy: -47.141
tors. eta vs tors. theta energy: -83.264
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: 6
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -864.176829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.176829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.176829 (E_RNA)
where:
Base-Base interactions energy: -577.896
where: short stacking energy: -248.078
Base-Backbone interact. energy: 0.429
local terms energy: -286.710401
where:
bonds (distance) C4'-P energy: -53.812
bonds (distance) P-C4' energy: -58.884
flat angles C4'-P-C4' energy: -65.153
flat angles P-C4'-P energy: -38.046
tors. eta vs tors. theta energy: -70.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -860.906403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.906403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.906403 (E_RNA)
where:
Base-Base interactions energy: -600.884
where: short stacking energy: -250.848
Base-Backbone interact. energy: -1.566
local terms energy: -258.456617
where:
bonds (distance) C4'-P energy: -47.413
bonds (distance) P-C4' energy: -55.752
flat angles C4'-P-C4' energy: -59.859
flat angles P-C4'-P energy: -33.201
tors. eta vs tors. theta energy: -62.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -686.445705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.445705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.445705 (E_RNA)
where:
Base-Base interactions energy: -446.494
where: short stacking energy: -217.136
Base-Backbone interact. energy: 0.872
local terms energy: -240.823540
where:
bonds (distance) C4'-P energy: -47.099
bonds (distance) P-C4' energy: -53.146
flat angles C4'-P-C4' energy: -58.461
flat angles P-C4'-P energy: -33.318
tors. eta vs tors. theta energy: -48.800
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: 18
Temperature: 1.100000
Total energy: -621.645653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.645653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.645653 (E_RNA)
where:
Base-Base interactions energy: -397.057
where: short stacking energy: -189.285
Base-Backbone interact. energy: -0.630
local terms energy: -223.958715
where:
bonds (distance) C4'-P energy: -49.541
bonds (distance) P-C4' energy: -59.244
flat angles C4'-P-C4' energy: -38.084
flat angles P-C4'-P energy: -38.324
tors. eta vs tors. theta energy: -38.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -500.731428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.731428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.731428 (E_RNA)
where:
Base-Base interactions energy: -301.746
where: short stacking energy: -144.641
Base-Backbone interact. energy: -1.053
local terms energy: -197.932597
where:
bonds (distance) C4'-P energy: -40.555
bonds (distance) P-C4' energy: -47.769
flat angles C4'-P-C4' energy: -57.545
flat angles P-C4'-P energy: -28.124
tors. eta vs tors. theta energy: -23.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -565.506276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.506276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.506276 (E_RNA)
where:
Base-Base interactions energy: -367.974
where: short stacking energy: -164.904
Base-Backbone interact. energy: 5.030
local terms energy: -202.562819
where:
bonds (distance) C4'-P energy: -42.692
bonds (distance) P-C4' energy: -44.982
flat angles C4'-P-C4' energy: -43.660
flat angles P-C4'-P energy: -35.911
tors. eta vs tors. theta energy: -35.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -401.991793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.991793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.991793 (E_RNA)
where:
Base-Base interactions energy: -215.641
where: short stacking energy: -127.393
Base-Backbone interact. energy: -0.067
local terms energy: -186.283249
where:
bonds (distance) C4'-P energy: -51.851
bonds (distance) P-C4' energy: -49.133
flat angles C4'-P-C4' energy: -52.547
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -17.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -385.680829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.680829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.680829 (E_RNA)
where:
Base-Base interactions energy: -212.852
where: short stacking energy: -125.234
Base-Backbone interact. energy: 1.464
local terms energy: -174.293216
where:
bonds (distance) C4'-P energy: -54.431
bonds (distance) P-C4' energy: -47.930
flat angles C4'-P-C4' energy: -40.803
flat angles P-C4'-P energy: -24.490
tors. eta vs tors. theta energy: -6.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -327.951334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.951334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.951334 (E_RNA)
where:
Base-Base interactions energy: -155.414
where: short stacking energy: -109.936
Base-Backbone interact. energy: 1.584
local terms energy: -174.121393
where:
bonds (distance) C4'-P energy: -46.327
bonds (distance) P-C4' energy: -38.507
flat angles C4'-P-C4' energy: -45.990
flat angles P-C4'-P energy: -25.304
tors. eta vs tors. theta energy: -17.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -882.767256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.767256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.767256 (E_RNA)
where:
Base-Base interactions energy: -577.289
where: short stacking energy: -245.136
Base-Backbone interact. energy: 0.952
local terms energy: -306.429668
where:
bonds (distance) C4'-P energy: -57.014
bonds (distance) P-C4' energy: -64.121
flat angles C4'-P-C4' energy: -61.460
flat angles P-C4'-P energy: -45.745
tors. eta vs tors. theta energy: -78.089
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: 2, replica: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -905.042739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.042739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.042739 (E_RNA)
where:
Base-Base interactions energy: -631.469
where: short stacking energy: -255.111
Base-Backbone interact. energy: -2.352
local terms energy: -271.221638
where:
bonds (distance) C4'-P energy: -48.410
bonds (distance) P-C4' energy: -58.942
flat angles C4'-P-C4' energy: -58.039
flat angles P-C4'-P energy: -37.728
tors. eta vs tors. theta energy: -68.103
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: 6
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -824.870607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.870607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.870607 (E_RNA)
where:
Base-Base interactions energy: -545.706
where: short stacking energy: -235.138
Base-Backbone interact. energy: -3.164
local terms energy: -276.000566
where:
bonds (distance) C4'-P energy: -51.324
bonds (distance) P-C4' energy: -60.342
flat angles C4'-P-C4' energy: -55.986
flat angles P-C4'-P energy: -43.887
tors. eta vs tors. theta energy: -64.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -689.669862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.669862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.669862 (E_RNA)
where:
Base-Base interactions energy: -435.466
where: short stacking energy: -218.747
Base-Backbone interact. energy: 3.576
local terms energy: -257.779260
where:
bonds (distance) C4'-P energy: -52.760
bonds (distance) P-C4' energy: -54.832
flat angles C4'-P-C4' energy: -56.525
flat angles P-C4'-P energy: -39.010
tors. eta vs tors. theta energy: -54.652
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: 19
Temperature: 1.100000
Total energy: -640.198013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.198013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.198013 (E_RNA)
where:
Base-Base interactions energy: -394.006
where: short stacking energy: -193.065
Base-Backbone interact. energy: -0.756
local terms energy: -245.436557
where:
bonds (distance) C4'-P energy: -43.826
bonds (distance) P-C4' energy: -58.541
flat angles C4'-P-C4' energy: -54.006
flat angles P-C4'-P energy: -33.544
tors. eta vs tors. theta energy: -55.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -565.441902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.441902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.441902 (E_RNA)
where:
Base-Base interactions energy: -347.504
where: short stacking energy: -173.941
Base-Backbone interact. energy: -0.945
local terms energy: -216.992355
where:
bonds (distance) C4'-P energy: -46.180
bonds (distance) P-C4' energy: -46.011
flat angles C4'-P-C4' energy: -57.719
flat angles P-C4'-P energy: -32.781
tors. eta vs tors. theta energy: -34.302
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: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -496.212671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.212671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.212671 (E_RNA)
where:
Base-Base interactions energy: -298.253
where: short stacking energy: -142.562
Base-Backbone interact. energy: -2.144
local terms energy: -195.815955
where:
bonds (distance) C4'-P energy: -44.982
bonds (distance) P-C4' energy: -58.714
flat angles C4'-P-C4' energy: -46.699
flat angles P-C4'-P energy: -22.781
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -400.277149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.277149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.277149 (E_RNA)
where:
Base-Base interactions energy: -229.507
where: short stacking energy: -131.312
Base-Backbone interact. energy: -0.963
local terms energy: -169.807080
where:
bonds (distance) C4'-P energy: -42.854
bonds (distance) P-C4' energy: -38.412
flat angles C4'-P-C4' energy: -46.379
flat angles P-C4'-P energy: -25.527
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -403.454981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.454981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.454981 (E_RNA)
where:
Base-Base interactions energy: -240.834
where: short stacking energy: -118.656
Base-Backbone interact. energy: 3.157
local terms energy: -165.777874
where:
bonds (distance) C4'-P energy: -59.468
bonds (distance) P-C4' energy: -41.185
flat angles C4'-P-C4' energy: -30.833
flat angles P-C4'-P energy: -20.534
tors. eta vs tors. theta energy: -13.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -280.343526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.343526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.343526 (E_RNA)
where:
Base-Base interactions energy: -115.511
where: short stacking energy: -73.351
Base-Backbone interact. energy: 0.206
local terms energy: -165.038111
where:
bonds (distance) C4'-P energy: -54.939
bonds (distance) P-C4' energy: -52.417
flat angles C4'-P-C4' energy: -28.097
flat angles P-C4'-P energy: -29.137
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -943.006466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.006466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.006466 (E_RNA)
where:
Base-Base interactions energy: -650.099
where: short stacking energy: -266.803
Base-Backbone interact. energy: -1.601
local terms energy: -291.306140
where:
bonds (distance) C4'-P energy: -59.164
bonds (distance) P-C4' energy: -59.920
flat angles C4'-P-C4' energy: -65.150
flat angles P-C4'-P energy: -37.655
tors. eta vs tors. theta energy: -69.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -858.742023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.742023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.742023 (E_RNA)
where:
Base-Base interactions energy: -570.332
where: short stacking energy: -270.702
Base-Backbone interact. energy: -0.712
local terms energy: -287.698015
where:
bonds (distance) C4'-P energy: -51.555
bonds (distance) P-C4' energy: -54.204
flat angles C4'-P-C4' energy: -64.044
flat angles P-C4'-P energy: -35.805
tors. eta vs tors. theta energy: -82.091
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: 20
Temperature: 1.000000
Total energy: -827.524541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.524541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.524541 (E_RNA)
where:
Base-Base interactions energy: -555.158
where: short stacking energy: -230.942
Base-Backbone interact. energy: -1.614
local terms energy: -270.752377
where:
bonds (distance) C4'-P energy: -53.956
bonds (distance) P-C4' energy: -55.061
flat angles C4'-P-C4' energy: -57.106
flat angles P-C4'-P energy: -41.518
tors. eta vs tors. theta energy: -63.111
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: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -686.949411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.949411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.949411 (E_RNA)
where:
Base-Base interactions energy: -431.155
where: short stacking energy: -223.061
Base-Backbone interact. energy: -1.265
local terms energy: -254.528774
where:
bonds (distance) C4'-P energy: -54.575
bonds (distance) P-C4' energy: -51.826
flat angles C4'-P-C4' energy: -45.213
flat angles P-C4'-P energy: -48.298
tors. eta vs tors. theta energy: -54.617
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: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -640.105700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.105700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.105700 (E_RNA)
where:
Base-Base interactions energy: -416.633
where: short stacking energy: -194.714
Base-Backbone interact. energy: -1.482
local terms energy: -221.990976
where:
bonds (distance) C4'-P energy: -42.431
bonds (distance) P-C4' energy: -53.212
flat angles C4'-P-C4' energy: -52.359
flat angles P-C4'-P energy: -35.134
tors. eta vs tors. theta energy: -38.855
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: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -551.971402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.971402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.971402 (E_RNA)
where:
Base-Base interactions energy: -319.687
where: short stacking energy: -168.163
Base-Backbone interact. energy: -0.658
local terms energy: -231.626035
where:
bonds (distance) C4'-P energy: -50.878
bonds (distance) P-C4' energy: -57.748
flat angles C4'-P-C4' energy: -50.461
flat angles P-C4'-P energy: -33.178
tors. eta vs tors. theta energy: -39.361
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: 8
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -575.257028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.257028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.257028 (E_RNA)
where:
Base-Base interactions energy: -361.749
where: short stacking energy: -168.278
Base-Backbone interact. energy: 0.062
local terms energy: -213.570796
where:
bonds (distance) C4'-P energy: -52.031
bonds (distance) P-C4' energy: -55.161
flat angles C4'-P-C4' energy: -43.665
flat angles P-C4'-P energy: -32.546
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: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -420.122084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.122084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.122084 (E_RNA)
where:
Base-Base interactions energy: -251.461
where: short stacking energy: -139.495
Base-Backbone interact. energy: 2.354
local terms energy: -171.014438
where:
bonds (distance) C4'-P energy: -44.738
bonds (distance) P-C4' energy: -44.427
flat angles C4'-P-C4' energy: -38.152
flat angles P-C4'-P energy: -26.322
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -417.188312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.188312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.188312 (E_RNA)
where:
Base-Base interactions energy: -237.884
where: short stacking energy: -114.779
Base-Backbone interact. energy: -0.865
local terms energy: -178.439456
where:
bonds (distance) C4'-P energy: -45.159
bonds (distance) P-C4' energy: -47.359
flat angles C4'-P-C4' energy: -39.362
flat angles P-C4'-P energy: -35.892
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: 9
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -247.981579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.981579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.981579 (E_RNA)
where:
Base-Base interactions energy: -120.934
where: short stacking energy: -83.842
Base-Backbone interact. energy: 4.950
local terms energy: -131.997542
where:
bonds (distance) C4'-P energy: -36.949
bonds (distance) P-C4' energy: -41.980
flat angles C4'-P-C4' energy: -40.235
flat angles P-C4'-P energy: -21.739
tors. eta vs tors. theta energy: 8.905
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: 1, replica: 7
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -925.858914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.858914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.858914 (E_RNA)
where:
Base-Base interactions energy: -639.841
where: short stacking energy: -262.106
Base-Backbone interact. energy: -3.583
local terms energy: -282.435272
where:
bonds (distance) C4'-P energy: -56.182
bonds (distance) P-C4' energy: -52.783
flat angles C4'-P-C4' energy: -60.232
flat angles P-C4'-P energy: -40.353
tors. eta vs tors. theta energy: -72.885
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: 2
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -850.710430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.710430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.710430 (E_RNA)
where:
Base-Base interactions energy: -558.667
where: short stacking energy: -262.552
Base-Backbone interact. energy: -1.519
local terms energy: -290.524773
where:
bonds (distance) C4'-P energy: -55.207
bonds (distance) P-C4' energy: -51.499
flat angles C4'-P-C4' energy: -64.185
flat angles P-C4'-P energy: -44.697
tors. eta vs tors. theta energy: -74.937
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: 6
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -850.319218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.319218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.319218 (E_RNA)
where:
Base-Base interactions energy: -597.514
where: short stacking energy: -255.575
Base-Backbone interact. energy: -0.141
local terms energy: -252.663770
where:
bonds (distance) C4'-P energy: -46.316
bonds (distance) P-C4' energy: -49.607
flat angles C4'-P-C4' energy: -52.927
flat angles P-C4'-P energy: -29.976
tors. eta vs tors. theta energy: -73.837
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: 4, replica: 3
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -709.713242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.713242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.713242 (E_RNA)
where:
Base-Base interactions energy: -443.060
where: short stacking energy: -227.131
Base-Backbone interact. energy: -1.096
local terms energy: -265.557481
where:
bonds (distance) C4'-P energy: -46.103
bonds (distance) P-C4' energy: -55.479
flat angles C4'-P-C4' energy: -57.662
flat angles P-C4'-P energy: -44.571
tors. eta vs tors. theta energy: -61.742
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: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -633.320131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.320131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.320131 (E_RNA)
where:
Base-Base interactions energy: -409.952
where: short stacking energy: -202.626
Base-Backbone interact. energy: -0.508
local terms energy: -222.859956
where:
bonds (distance) C4'-P energy: -41.237
bonds (distance) P-C4' energy: -48.364
flat angles C4'-P-C4' energy: -54.070
flat angles P-C4'-P energy: -22.926
tors. eta vs tors. theta energy: -56.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -584.483051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.483051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.483051 (E_RNA)
where:
Base-Base interactions energy: -357.103
where: short stacking energy: -168.487
Base-Backbone interact. energy: -0.917
local terms energy: -226.462681
where:
bonds (distance) C4'-P energy: -52.280
bonds (distance) P-C4' energy: -45.602
flat angles C4'-P-C4' energy: -59.372
flat angles P-C4'-P energy: -39.616
tors. eta vs tors. theta energy: -29.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -572.987383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.987383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.987383 (E_RNA)
where:
Base-Base interactions energy: -339.050
where: short stacking energy: -169.308
Base-Backbone interact. energy: -0.422
local terms energy: -233.515246
where:
bonds (distance) C4'-P energy: -50.112
bonds (distance) P-C4' energy: -55.226
flat angles C4'-P-C4' energy: -44.419
flat angles P-C4'-P energy: -41.458
tors. eta vs tors. theta energy: -42.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -375.419767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.419767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.419767 (E_RNA)
where:
Base-Base interactions energy: -186.392
where: short stacking energy: -113.872
Base-Backbone interact. energy: 0.270
local terms energy: -189.297691
where:
bonds (distance) C4'-P energy: -46.980
bonds (distance) P-C4' energy: -48.192
flat angles C4'-P-C4' energy: -53.608
flat angles P-C4'-P energy: -29.177
tors. eta vs tors. theta energy: -11.341
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: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -345.094301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.094301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.094301 (E_RNA)
where:
Base-Base interactions energy: -181.257
where: short stacking energy: -100.493
Base-Backbone interact. energy: -1.495
local terms energy: -162.341655
where:
bonds (distance) C4'-P energy: -47.421
bonds (distance) P-C4' energy: -45.257
flat angles C4'-P-C4' energy: -40.945
flat angles P-C4'-P energy: -21.235
tors. eta vs tors. theta energy: -7.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -230.377424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.377424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.377424 (E_RNA)
where:
Base-Base interactions energy: -91.485
where: short stacking energy: -77.729
Base-Backbone interact. energy: -0.397
local terms energy: -138.495467
where:
bonds (distance) C4'-P energy: -49.642
bonds (distance) P-C4' energy: -48.617
flat angles C4'-P-C4' energy: -37.577
flat angles P-C4'-P energy: -15.384
tors. eta vs tors. theta energy: 12.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -924.617569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.617569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.617569 (E_RNA)
where:
Base-Base interactions energy: -631.663
where: short stacking energy: -273.599
Base-Backbone interact. energy: -3.157
local terms energy: -289.797385
where:
bonds (distance) C4'-P energy: -49.476
bonds (distance) P-C4' energy: -59.198
flat angles C4'-P-C4' energy: -58.238
flat angles P-C4'-P energy: -45.289
tors. eta vs tors. theta energy: -77.596
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: 2, replica: 2
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -843.519558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.519558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.519558 (E_RNA)
where:
Base-Base interactions energy: -558.885
where: short stacking energy: -248.434
Base-Backbone interact. energy: -0.981
local terms energy: -283.653656
where:
bonds (distance) C4'-P energy: -58.043
bonds (distance) P-C4' energy: -55.092
flat angles C4'-P-C4' energy: -63.736
flat angles P-C4'-P energy: -37.568
tors. eta vs tors. theta energy: -69.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -833.914074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.914074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.914074 (E_RNA)
where:
Base-Base interactions energy: -552.282
where: short stacking energy: -240.950
Base-Backbone interact. energy: -1.186
local terms energy: -280.446398
where:
bonds (distance) C4'-P energy: -47.199
bonds (distance) P-C4' energy: -57.191
flat angles C4'-P-C4' energy: -61.111
flat angles P-C4'-P energy: -46.027
tors. eta vs tors. theta energy: -68.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -775.740208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.740208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.740208 (E_RNA)
where:
Base-Base interactions energy: -518.372
where: short stacking energy: -230.054
Base-Backbone interact. energy: -0.700
local terms energy: -256.668179
where:
bonds (distance) C4'-P energy: -57.229
bonds (distance) P-C4' energy: -55.617
flat angles C4'-P-C4' energy: -52.875
flat angles P-C4'-P energy: -23.564
tors. eta vs tors. theta energy: -67.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -625.691015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.691015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.691015 (E_RNA)
where:
Base-Base interactions energy: -388.587
where: short stacking energy: -185.965
Base-Backbone interact. energy: -1.535
local terms energy: -235.568683
where:
bonds (distance) C4'-P energy: -48.406
bonds (distance) P-C4' energy: -56.524
flat angles C4'-P-C4' energy: -57.146
flat angles P-C4'-P energy: -35.736
tors. eta vs tors. theta energy: -37.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -612.018102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.018102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.018102 (E_RNA)
where:
Base-Base interactions energy: -387.386
where: short stacking energy: -176.922
Base-Backbone interact. energy: -2.499
local terms energy: -222.133582
where:
bonds (distance) C4'-P energy: -52.556
bonds (distance) P-C4' energy: -49.487
flat angles C4'-P-C4' energy: -55.739
flat angles P-C4'-P energy: -34.759
tors. eta vs tors. theta energy: -29.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -605.404673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.404673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.404673 (E_RNA)
where:
Base-Base interactions energy: -389.603
where: short stacking energy: -171.722
Base-Backbone interact. energy: -0.885
local terms energy: -214.916378
where:
bonds (distance) C4'-P energy: -45.359
bonds (distance) P-C4' energy: -36.604
flat angles C4'-P-C4' energy: -53.997
flat angles P-C4'-P energy: -32.885
tors. eta vs tors. theta energy: -46.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -370.195925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.195925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.195925 (E_RNA)
where:
Base-Base interactions energy: -192.021
where: short stacking energy: -98.308
Base-Backbone interact. energy: -0.383
local terms energy: -177.792240
where:
bonds (distance) C4'-P energy: -44.271
bonds (distance) P-C4' energy: -50.986
flat angles C4'-P-C4' energy: -44.744
flat angles P-C4'-P energy: -30.910
tors. eta vs tors. theta energy: -6.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -323.871319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.871319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.871319 (E_RNA)
where:
Base-Base interactions energy: -186.957
where: short stacking energy: -120.427
Base-Backbone interact. energy: -1.567
local terms energy: -135.347158
where:
bonds (distance) C4'-P energy: -38.874
bonds (distance) P-C4' energy: -30.531
flat angles C4'-P-C4' energy: -36.086
flat angles P-C4'-P energy: -28.314
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -244.573261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.573261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.573261 (E_RNA)
where:
Base-Base interactions energy: -103.946
where: short stacking energy: -88.029
Base-Backbone interact. energy: -0.620
local terms energy: -140.007044
where:
bonds (distance) C4'-P energy: -47.678
bonds (distance) P-C4' energy: -43.639
flat angles C4'-P-C4' energy: -32.087
flat angles P-C4'-P energy: -17.404
tors. eta vs tors. theta energy: 0.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -937.441597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.441597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.441597 (E_RNA)
where:
Base-Base interactions energy: -644.934
where: short stacking energy: -261.786
Base-Backbone interact. energy: -2.427
local terms energy: -290.080360
where:
bonds (distance) C4'-P energy: -50.765
bonds (distance) P-C4' energy: -62.890
flat angles C4'-P-C4' energy: -58.309
flat angles P-C4'-P energy: -42.007
tors. eta vs tors. theta energy: -76.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -843.466059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.466059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.466059 (E_RNA)
where:
Base-Base interactions energy: -566.096
where: short stacking energy: -258.822
Base-Backbone interact. energy: 0.336
local terms energy: -277.705571
where:
bonds (distance) C4'-P energy: -40.337
bonds (distance) P-C4' energy: -58.867
flat angles C4'-P-C4' energy: -68.701
flat angles P-C4'-P energy: -40.954
tors. eta vs tors. theta energy: -68.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -820.199473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.199473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.199473 (E_RNA)
where:
Base-Base interactions energy: -547.422
where: short stacking energy: -239.816
Base-Backbone interact. energy: -2.495
local terms energy: -270.281765
where:
bonds (distance) C4'-P energy: -50.269
bonds (distance) P-C4' energy: -58.799
flat angles C4'-P-C4' energy: -63.061
flat angles P-C4'-P energy: -38.226
tors. eta vs tors. theta energy: -59.928
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: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -773.833227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.833227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.833227 (E_RNA)
where:
Base-Base interactions energy: -507.113
where: short stacking energy: -221.288
Base-Backbone interact. energy: -2.024
local terms energy: -264.696384
where:
bonds (distance) C4'-P energy: -52.794
bonds (distance) P-C4' energy: -47.253
flat angles C4'-P-C4' energy: -54.536
flat angles P-C4'-P energy: -46.987
tors. eta vs tors. theta energy: -63.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -648.145220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.145220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.145220 (E_RNA)
where:
Base-Base interactions energy: -400.420
where: short stacking energy: -214.998
Base-Backbone interact. energy: -1.050
local terms energy: -246.675786
where:
bonds (distance) C4'-P energy: -46.277
bonds (distance) P-C4' energy: -46.471
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -28.131
tors. eta vs tors. theta energy: -65.182
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: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -637.999608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.999608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.999608 (E_RNA)
where:
Base-Base interactions energy: -407.072
where: short stacking energy: -193.606
Base-Backbone interact. energy: -0.504
local terms energy: -230.423176
where:
bonds (distance) C4'-P energy: -47.160
bonds (distance) P-C4' energy: -47.474
flat angles C4'-P-C4' energy: -57.937
flat angles P-C4'-P energy: -30.989
tors. eta vs tors. theta energy: -46.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -622.423960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.423960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.423960 (E_RNA)
where:
Base-Base interactions energy: -395.795
where: short stacking energy: -217.000
Base-Backbone interact. energy: 0.465
local terms energy: -227.094073
where:
bonds (distance) C4'-P energy: -54.437
bonds (distance) P-C4' energy: -44.110
flat angles C4'-P-C4' energy: -51.768
flat angles P-C4'-P energy: -27.569
tors. eta vs tors. theta energy: -49.210
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: 23
Temperature: 1.250000
Total energy: -334.546833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.546833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.546833 (E_RNA)
where:
Base-Base interactions energy: -162.443
where: short stacking energy: -100.865
Base-Backbone interact. energy: -0.104
local terms energy: -171.999295
where:
bonds (distance) C4'-P energy: -44.021
bonds (distance) P-C4' energy: -43.944
flat angles C4'-P-C4' energy: -53.746
flat angles P-C4'-P energy: -16.818
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -326.446349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.446349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.446349 (E_RNA)
where:
Base-Base interactions energy: -157.330
where: short stacking energy: -76.874
Base-Backbone interact. energy: -2.312
local terms energy: -166.804127
where:
bonds (distance) C4'-P energy: -41.289
bonds (distance) P-C4' energy: -46.168
flat angles C4'-P-C4' energy: -47.364
flat angles P-C4'-P energy: -32.683
tors. eta vs tors. theta energy: 0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -245.128473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.128473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.128473 (E_RNA)
where:
Base-Base interactions energy: -100.415
where: short stacking energy: -84.766
Base-Backbone interact. energy: 4.276
local terms energy: -148.990048
where:
bonds (distance) C4'-P energy: -51.157
bonds (distance) P-C4' energy: -48.656
flat angles C4'-P-C4' energy: -31.704
flat angles P-C4'-P energy: -18.914
tors. eta vs tors. theta energy: 1.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -948.281847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.281847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.281847 (E_RNA)
where:
Base-Base interactions energy: -660.539
where: short stacking energy: -271.479
Base-Backbone interact. energy: -3.772
local terms energy: -283.970006
where:
bonds (distance) C4'-P energy: -62.348
bonds (distance) P-C4' energy: -54.080
flat angles C4'-P-C4' energy: -60.079
flat angles P-C4'-P energy: -33.458
tors. eta vs tors. theta energy: -74.005
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: 2
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -848.215610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.215610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.215610 (E_RNA)
where:
Base-Base interactions energy: -564.272
where: short stacking energy: -249.236
Base-Backbone interact. energy: -1.570
local terms energy: -282.373483
where:
bonds (distance) C4'-P energy: -50.498
bonds (distance) P-C4' energy: -57.423
flat angles C4'-P-C4' energy: -60.074
flat angles P-C4'-P energy: -47.843
tors. eta vs tors. theta energy: -66.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -827.168728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.168728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.168728 (E_RNA)
where:
Base-Base interactions energy: -558.491
where: short stacking energy: -278.134
Base-Backbone interact. energy: 2.424
local terms energy: -271.101193
where:
bonds (distance) C4'-P energy: -48.703
bonds (distance) P-C4' energy: -49.458
flat angles C4'-P-C4' energy: -65.004
flat angles P-C4'-P energy: -36.969
tors. eta vs tors. theta energy: -70.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -794.376694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.376694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.376694 (E_RNA)
where:
Base-Base interactions energy: -541.074
where: short stacking energy: -243.869
Base-Backbone interact. energy: 1.635
local terms energy: -254.937877
where:
bonds (distance) C4'-P energy: -50.487
bonds (distance) P-C4' energy: -48.275
flat angles C4'-P-C4' energy: -62.458
flat angles P-C4'-P energy: -36.663
tors. eta vs tors. theta energy: -57.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -668.805491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.805491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.805491 (E_RNA)
where:
Base-Base interactions energy: -441.501
where: short stacking energy: -213.223
Base-Backbone interact. energy: -1.139
local terms energy: -226.165777
where:
bonds (distance) C4'-P energy: -54.786
bonds (distance) P-C4' energy: -51.459
flat angles C4'-P-C4' energy: -42.661
flat angles P-C4'-P energy: -24.977
tors. eta vs tors. theta energy: -52.283
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: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -582.666489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.666489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.666489 (E_RNA)
where:
Base-Base interactions energy: -352.595
where: short stacking energy: -189.427
Base-Backbone interact. energy: -0.885
local terms energy: -229.186675
where:
bonds (distance) C4'-P energy: -54.410
bonds (distance) P-C4' energy: -45.675
flat angles C4'-P-C4' energy: -53.262
flat angles P-C4'-P energy: -38.389
tors. eta vs tors. theta energy: -37.452
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: 4
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -591.227884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.227884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.227884 (E_RNA)
where:
Base-Base interactions energy: -387.282
where: short stacking energy: -186.133
Base-Backbone interact. energy: -1.579
local terms energy: -202.366959
where:
bonds (distance) C4'-P energy: -40.771
bonds (distance) P-C4' energy: -47.531
flat angles C4'-P-C4' energy: -38.389
flat angles P-C4'-P energy: -26.844
tors. eta vs tors. theta energy: -48.831
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: 10
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -374.757614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.757614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.757614 (E_RNA)
where:
Base-Base interactions energy: -189.551
where: short stacking energy: -121.141
Base-Backbone interact. energy: -1.290
local terms energy: -183.915770
where:
bonds (distance) C4'-P energy: -46.439
bonds (distance) P-C4' energy: -44.031
flat angles C4'-P-C4' energy: -51.242
flat angles P-C4'-P energy: -24.096
tors. eta vs tors. theta energy: -18.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -349.063164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.063164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.063164 (E_RNA)
where:
Base-Base interactions energy: -172.008
where: short stacking energy: -98.982
Base-Backbone interact. energy: -1.345
local terms energy: -175.709298
where:
bonds (distance) C4'-P energy: -47.554
bonds (distance) P-C4' energy: -46.206
flat angles C4'-P-C4' energy: -44.738
flat angles P-C4'-P energy: -32.093
tors. eta vs tors. theta energy: -5.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -237.811351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.811351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.811351 (E_RNA)
where:
Base-Base interactions energy: -84.830
where: short stacking energy: -58.983
Base-Backbone interact. energy: -1.933
local terms energy: -151.048542
where:
bonds (distance) C4'-P energy: -52.331
bonds (distance) P-C4' energy: -51.269
flat angles C4'-P-C4' energy: -40.638
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: 6.810
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: 7
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -930.766360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.766360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.766360 (E_RNA)
where:
Base-Base interactions energy: -637.425
where: short stacking energy: -249.981
Base-Backbone interact. energy: -2.444
local terms energy: -290.897381
where:
bonds (distance) C4'-P energy: -54.947
bonds (distance) P-C4' energy: -57.358
flat angles C4'-P-C4' energy: -63.779
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: -70.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -860.480693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.480693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.480693 (E_RNA)
where:
Base-Base interactions energy: -564.620
where: short stacking energy: -264.926
Base-Backbone interact. energy: 1.228
local terms energy: -297.088159
where:
bonds (distance) C4'-P energy: -53.099
bonds (distance) P-C4' energy: -60.758
flat angles C4'-P-C4' energy: -58.070
flat angles P-C4'-P energy: -48.277
tors. eta vs tors. theta energy: -76.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -808.345514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.345514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.345514 (E_RNA)
where:
Base-Base interactions energy: -552.529
where: short stacking energy: -255.714
Base-Backbone interact. energy: 1.679
local terms energy: -257.495754
where:
bonds (distance) C4'-P energy: -62.289
bonds (distance) P-C4' energy: -43.766
flat angles C4'-P-C4' energy: -48.007
flat angles P-C4'-P energy: -29.634
tors. eta vs tors. theta energy: -73.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -786.199541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.199541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.199541 (E_RNA)
where:
Base-Base interactions energy: -513.915
where: short stacking energy: -249.797
Base-Backbone interact. energy: 0.650
local terms energy: -272.934194
where:
bonds (distance) C4'-P energy: -55.023
bonds (distance) P-C4' energy: -48.232
flat angles C4'-P-C4' energy: -63.210
flat angles P-C4'-P energy: -30.099
tors. eta vs tors. theta energy: -76.371
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: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -677.300324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.300324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.300324 (E_RNA)
where:
Base-Base interactions energy: -432.897
where: short stacking energy: -208.719
Base-Backbone interact. energy: 4.190
local terms energy: -248.592828
where:
bonds (distance) C4'-P energy: -39.973
bonds (distance) P-C4' energy: -53.775
flat angles C4'-P-C4' energy: -60.387
flat angles P-C4'-P energy: -41.471
tors. eta vs tors. theta energy: -52.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -578.289104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.289104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.289104 (E_RNA)
where:
Base-Base interactions energy: -354.613
where: short stacking energy: -190.066
Base-Backbone interact. energy: -0.507
local terms energy: -223.168829
where:
bonds (distance) C4'-P energy: -48.410
bonds (distance) P-C4' energy: -41.386
flat angles C4'-P-C4' energy: -48.909
flat angles P-C4'-P energy: -44.537
tors. eta vs tors. theta energy: -39.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -564.428481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.428481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.428481 (E_RNA)
where:
Base-Base interactions energy: -337.472
where: short stacking energy: -169.265
Base-Backbone interact. energy: 1.536
local terms energy: -228.492886
where:
bonds (distance) C4'-P energy: -50.519
bonds (distance) P-C4' energy: -51.445
flat angles C4'-P-C4' energy: -47.473
flat angles P-C4'-P energy: -30.787
tors. eta vs tors. theta energy: -48.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -355.785353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.785353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.785353 (E_RNA)
where:
Base-Base interactions energy: -181.604
where: short stacking energy: -125.757
Base-Backbone interact. energy: 2.702
local terms energy: -176.884021
where:
bonds (distance) C4'-P energy: -41.811
bonds (distance) P-C4' energy: -59.320
flat angles C4'-P-C4' energy: -36.827
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -338.033957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.033957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.033957 (E_RNA)
where:
Base-Base interactions energy: -155.596
where: short stacking energy: -110.726
Base-Backbone interact. energy: -0.875
local terms energy: -181.563133
where:
bonds (distance) C4'-P energy: -44.329
bonds (distance) P-C4' energy: -44.204
flat angles C4'-P-C4' energy: -53.785
flat angles P-C4'-P energy: -24.782
tors. eta vs tors. theta energy: -14.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -245.137543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.137543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.137543 (E_RNA)
where:
Base-Base interactions energy: -74.741
where: short stacking energy: -72.364
Base-Backbone interact. energy: -0.415
local terms energy: -169.982239
where:
bonds (distance) C4'-P energy: -43.195
bonds (distance) P-C4' energy: -49.033
flat angles C4'-P-C4' energy: -50.634
flat angles P-C4'-P energy: -25.324
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -922.551129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.551129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.551129 (E_RNA)
where:
Base-Base interactions energy: -630.031
where: short stacking energy: -263.415
Base-Backbone interact. energy: -2.470
local terms energy: -290.050490
where:
bonds (distance) C4'-P energy: -57.563
bonds (distance) P-C4' energy: -53.057
flat angles C4'-P-C4' energy: -57.839
flat angles P-C4'-P energy: -52.056
tors. eta vs tors. theta energy: -69.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -875.703011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.703011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.703011 (E_RNA)
where:
Base-Base interactions energy: -580.976
where: short stacking energy: -260.079
Base-Backbone interact. energy: -0.034
local terms energy: -294.692940
where:
bonds (distance) C4'-P energy: -53.694
bonds (distance) P-C4' energy: -56.243
flat angles C4'-P-C4' energy: -59.032
flat angles P-C4'-P energy: -45.440
tors. eta vs tors. theta energy: -80.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -807.887462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.887462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.887462 (E_RNA)
where:
Base-Base interactions energy: -516.306
where: short stacking energy: -237.437
Base-Backbone interact. energy: -0.792
local terms energy: -290.789353
where:
bonds (distance) C4'-P energy: -55.608
bonds (distance) P-C4' energy: -58.032
flat angles C4'-P-C4' energy: -66.197
flat angles P-C4'-P energy: -43.314
tors. eta vs tors. theta energy: -67.640
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: 6
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -782.476295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.476295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.476295 (E_RNA)
where:
Base-Base interactions energy: -523.905
where: short stacking energy: -220.962
Base-Backbone interact. energy: 1.461
local terms energy: -260.032830
where:
bonds (distance) C4'-P energy: -58.328
bonds (distance) P-C4' energy: -49.669
flat angles C4'-P-C4' energy: -54.393
flat angles P-C4'-P energy: -44.008
tors. eta vs tors. theta energy: -53.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -660.235555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.235555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.235555 (E_RNA)
where:
Base-Base interactions energy: -404.471
where: short stacking energy: -203.937
Base-Backbone interact. energy: 0.411
local terms energy: -256.175925
where:
bonds (distance) C4'-P energy: -47.894
bonds (distance) P-C4' energy: -57.740
flat angles C4'-P-C4' energy: -58.700
flat angles P-C4'-P energy: -38.040
tors. eta vs tors. theta energy: -53.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -638.135270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.135270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.135270 (E_RNA)
where:
Base-Base interactions energy: -419.294
where: short stacking energy: -190.544
Base-Backbone interact. energy: -0.687
local terms energy: -218.153647
where:
bonds (distance) C4'-P energy: -47.429
bonds (distance) P-C4' energy: -55.451
flat angles C4'-P-C4' energy: -43.218
flat angles P-C4'-P energy: -29.577
tors. eta vs tors. theta energy: -42.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -575.091300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.091300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.091300 (E_RNA)
where:
Base-Base interactions energy: -340.102
where: short stacking energy: -185.821
Base-Backbone interact. energy: -1.670
local terms energy: -233.319842
where:
bonds (distance) C4'-P energy: -54.033
bonds (distance) P-C4' energy: -54.596
flat angles C4'-P-C4' energy: -49.327
flat angles P-C4'-P energy: -33.043
tors. eta vs tors. theta energy: -42.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -331.916236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.916236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.916236 (E_RNA)
where:
Base-Base interactions energy: -157.658
where: short stacking energy: -103.553
Base-Backbone interact. energy: 0.190
local terms energy: -174.448564
where:
bonds (distance) C4'-P energy: -44.361
bonds (distance) P-C4' energy: -47.056
flat angles C4'-P-C4' energy: -47.581
flat angles P-C4'-P energy: -30.532
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -321.951231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -321.951231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -321.951231 (E_RNA)
where:
Base-Base interactions energy: -152.830
where: short stacking energy: -103.107
Base-Backbone interact. energy: 0.266
local terms energy: -169.387585
where:
bonds (distance) C4'-P energy: -45.945
bonds (distance) P-C4' energy: -51.262
flat angles C4'-P-C4' energy: -35.561
flat angles P-C4'-P energy: -22.450
tors. eta vs tors. theta energy: -14.170
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: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -259.881444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.881444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.881444 (E_RNA)
where:
Base-Base interactions energy: -94.551
where: short stacking energy: -70.492
Base-Backbone interact. energy: -1.029
local terms energy: -164.302145
where:
bonds (distance) C4'-P energy: -54.212
bonds (distance) P-C4' energy: -53.410
flat angles C4'-P-C4' energy: -42.771
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: 1.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -914.741088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.741088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.741088 (E_RNA)
where:
Base-Base interactions energy: -630.662
where: short stacking energy: -255.735
Base-Backbone interact. energy: -1.578
local terms energy: -282.501666
where:
bonds (distance) C4'-P energy: -52.634
bonds (distance) P-C4' energy: -60.055
flat angles C4'-P-C4' energy: -62.917
flat angles P-C4'-P energy: -38.327
tors. eta vs tors. theta energy: -68.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -888.287133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.287133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.287133 (E_RNA)
where:
Base-Base interactions energy: -607.278
where: short stacking energy: -278.902
Base-Backbone interact. energy: -1.137
local terms energy: -279.872723
where:
bonds (distance) C4'-P energy: -51.698
bonds (distance) P-C4' energy: -55.810
flat angles C4'-P-C4' energy: -63.354
flat angles P-C4'-P energy: -32.392
tors. eta vs tors. theta energy: -76.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -808.174686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.174686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.174686 (E_RNA)
where:
Base-Base interactions energy: -537.115
where: short stacking energy: -242.769
Base-Backbone interact. energy: -1.725
local terms energy: -269.335419
where:
bonds (distance) C4'-P energy: -55.309
bonds (distance) P-C4' energy: -52.885
flat angles C4'-P-C4' energy: -56.062
flat angles P-C4'-P energy: -33.067
tors. eta vs tors. theta energy: -72.012
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: 4, replica: 6
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -787.951238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.951238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.951238 (E_RNA)
where:
Base-Base interactions energy: -527.149
where: short stacking energy: -223.940
Base-Backbone interact. energy: -0.529
local terms energy: -260.272879
where:
bonds (distance) C4'-P energy: -49.800
bonds (distance) P-C4' energy: -54.547
flat angles C4'-P-C4' energy: -56.506
flat angles P-C4'-P energy: -36.530
tors. eta vs tors. theta energy: -62.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -671.722401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.722401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.722401 (E_RNA)
where:
Base-Base interactions energy: -431.103
where: short stacking energy: -209.256
Base-Backbone interact. energy: 0.000
local terms energy: -240.619663
where:
bonds (distance) C4'-P energy: -43.879
bonds (distance) P-C4' energy: -50.559
flat angles C4'-P-C4' energy: -51.838
flat angles P-C4'-P energy: -37.697
tors. eta vs tors. theta energy: -56.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -649.830299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.830299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.830299 (E_RNA)
where:
Base-Base interactions energy: -417.597
where: short stacking energy: -195.287
Base-Backbone interact. energy: -0.687
local terms energy: -231.546896
where:
bonds (distance) C4'-P energy: -40.716
bonds (distance) P-C4' energy: -59.734
flat angles C4'-P-C4' energy: -56.625
flat angles P-C4'-P energy: -32.225
tors. eta vs tors. theta energy: -42.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -527.600603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.600603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.600603 (E_RNA)
where:
Base-Base interactions energy: -308.096
where: short stacking energy: -152.778
Base-Backbone interact. energy: -0.764
local terms energy: -218.740948
where:
bonds (distance) C4'-P energy: -53.726
bonds (distance) P-C4' energy: -50.509
flat angles C4'-P-C4' energy: -48.314
flat angles P-C4'-P energy: -36.621
tors. eta vs tors. theta energy: -29.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -415.675188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.675188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.675188 (E_RNA)
where:
Base-Base interactions energy: -235.857
where: short stacking energy: -145.840
Base-Backbone interact. energy: -1.340
local terms energy: -178.477963
where:
bonds (distance) C4'-P energy: -43.388
bonds (distance) P-C4' energy: -53.975
flat angles C4'-P-C4' energy: -37.874
flat angles P-C4'-P energy: -31.557
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -322.967914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.967914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.967914 (E_RNA)
where:
Base-Base interactions energy: -140.099
where: short stacking energy: -97.014
Base-Backbone interact. energy: -0.024
local terms energy: -182.844549
where:
bonds (distance) C4'-P energy: -54.277
bonds (distance) P-C4' energy: -54.702
flat angles C4'-P-C4' energy: -43.166
flat angles P-C4'-P energy: -30.241
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: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -242.357354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.357354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.357354 (E_RNA)
where:
Base-Base interactions energy: -83.786
where: short stacking energy: -71.433
Base-Backbone interact. energy: 1.020
local terms energy: -159.591278
where:
bonds (distance) C4'-P energy: -44.271
bonds (distance) P-C4' energy: -55.683
flat angles C4'-P-C4' energy: -32.814
flat angles P-C4'-P energy: -32.288
tors. eta vs tors. theta energy: 5.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -897.789686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.789686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.789686 (E_RNA)
where:
Base-Base interactions energy: -613.144
where: short stacking energy: -285.005
Base-Backbone interact. energy: 0.802
local terms energy: -285.447887
where:
bonds (distance) C4'-P energy: -49.315
bonds (distance) P-C4' energy: -48.609
flat angles C4'-P-C4' energy: -67.376
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: -81.020
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: 7
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -892.038754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.038754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.038754 (E_RNA)
where:
Base-Base interactions energy: -608.581
where: short stacking energy: -259.739
Base-Backbone interact. energy: -1.531
local terms energy: -281.926093
where:
bonds (distance) C4'-P energy: -62.950
bonds (distance) P-C4' energy: -49.730
flat angles C4'-P-C4' energy: -64.383
flat angles P-C4'-P energy: -40.005
tors. eta vs tors. theta energy: -64.858
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: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -816.659743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.659743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.659743 (E_RNA)
where:
Base-Base interactions energy: -536.273
where: short stacking energy: -258.165
Base-Backbone interact. energy: -1.079
local terms energy: -279.308344
where:
bonds (distance) C4'-P energy: -46.992
bonds (distance) P-C4' energy: -55.221
flat angles C4'-P-C4' energy: -61.695
flat angles P-C4'-P energy: -48.908
tors. eta vs tors. theta energy: -66.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -762.808044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.808044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.808044 (E_RNA)
where:
Base-Base interactions energy: -498.901
where: short stacking energy: -225.361
Base-Backbone interact. energy: 0.779
local terms energy: -264.685926
where:
bonds (distance) C4'-P energy: -56.590
bonds (distance) P-C4' energy: -50.073
flat angles C4'-P-C4' energy: -61.015
flat angles P-C4'-P energy: -35.025
tors. eta vs tors. theta energy: -61.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -666.353975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.353975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.353975 (E_RNA)
where:
Base-Base interactions energy: -444.092
where: short stacking energy: -190.945
Base-Backbone interact. energy: -1.996
local terms energy: -220.266863
where:
bonds (distance) C4'-P energy: -50.205
bonds (distance) P-C4' energy: -54.892
flat angles C4'-P-C4' energy: -45.788
flat angles P-C4'-P energy: -25.153
tors. eta vs tors. theta energy: -44.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -599.132340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.132340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.132340 (E_RNA)
where:
Base-Base interactions energy: -362.943
where: short stacking energy: -182.089
Base-Backbone interact. energy: 3.477
local terms energy: -239.666315
where:
bonds (distance) C4'-P energy: -55.197
bonds (distance) P-C4' energy: -56.155
flat angles C4'-P-C4' energy: -52.602
flat angles P-C4'-P energy: -30.992
tors. eta vs tors. theta energy: -44.721
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: 10
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -457.223962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.223962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.223962 (E_RNA)
where:
Base-Base interactions energy: -275.877
where: short stacking energy: -117.716
Base-Backbone interact. energy: -1.374
local terms energy: -179.973183
where:
bonds (distance) C4'-P energy: -44.216
bonds (distance) P-C4' energy: -59.580
flat angles C4'-P-C4' energy: -41.053
flat angles P-C4'-P energy: -29.816
tors. eta vs tors. theta energy: -5.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -500.079120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.079120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.079120 (E_RNA)
where:
Base-Base interactions energy: -293.655
where: short stacking energy: -152.443
Base-Backbone interact. energy: -1.044
local terms energy: -205.380473
where:
bonds (distance) C4'-P energy: -53.424
bonds (distance) P-C4' energy: -54.996
flat angles C4'-P-C4' energy: -48.483
flat angles P-C4'-P energy: -19.762
tors. eta vs tors. theta energy: -28.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -326.558625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -326.558625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -326.558625 (E_RNA)
where:
Base-Base interactions energy: -145.217
where: short stacking energy: -107.747
Base-Backbone interact. energy: 2.328
local terms energy: -183.669339
where:
bonds (distance) C4'-P energy: -46.510
bonds (distance) P-C4' energy: -54.952
flat angles C4'-P-C4' energy: -47.953
flat angles P-C4'-P energy: -26.954
tors. eta vs tors. theta energy: -7.301
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: 9
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -231.210834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.210834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.210834 (E_RNA)
where:
Base-Base interactions energy: -78.686
where: short stacking energy: -73.119
Base-Backbone interact. energy: 0.731
local terms energy: -153.255702
where:
bonds (distance) C4'-P energy: -39.859
bonds (distance) P-C4' energy: -46.046
flat angles C4'-P-C4' energy: -40.421
flat angles P-C4'-P energy: -24.297
tors. eta vs tors. theta energy: -2.632
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: 3
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -891.883760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.883760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.883760 (E_RNA)
where:
Base-Base interactions energy: -602.315
where: short stacking energy: -273.434
Base-Backbone interact. energy: -0.978
local terms energy: -288.591013
where:
bonds (distance) C4'-P energy: -56.044
bonds (distance) P-C4' energy: -52.476
flat angles C4'-P-C4' energy: -63.227
flat angles P-C4'-P energy: -41.774
tors. eta vs tors. theta energy: -75.070
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: 29
Temperature: 0.950000
Total energy: -902.417827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.417827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.417827 (E_RNA)
where:
Base-Base interactions energy: -614.798
where: short stacking energy: -266.937
Base-Backbone interact. energy: -0.417
local terms energy: -287.202572
where:
bonds (distance) C4'-P energy: -52.506
bonds (distance) P-C4' energy: -57.244
flat angles C4'-P-C4' energy: -61.538
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -73.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -816.199574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.199574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.199574 (E_RNA)
where:
Base-Base interactions energy: -542.050
where: short stacking energy: -247.978
Base-Backbone interact. energy: -2.091
local terms energy: -272.057785
where:
bonds (distance) C4'-P energy: -42.871
bonds (distance) P-C4' energy: -49.969
flat angles C4'-P-C4' energy: -63.860
flat angles P-C4'-P energy: -42.768
tors. eta vs tors. theta energy: -72.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -816.051133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.051133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.051133 (E_RNA)
where:
Base-Base interactions energy: -541.959
where: short stacking energy: -242.391
Base-Backbone interact. energy: 0.413
local terms energy: -274.505504
where:
bonds (distance) C4'-P energy: -54.076
bonds (distance) P-C4' energy: -53.352
flat angles C4'-P-C4' energy: -59.751
flat angles P-C4'-P energy: -39.525
tors. eta vs tors. theta energy: -67.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -674.558911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.558911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.558911 (E_RNA)
where:
Base-Base interactions energy: -421.190
where: short stacking energy: -201.478
Base-Backbone interact. energy: -0.591
local terms energy: -252.777141
where:
bonds (distance) C4'-P energy: -52.722
bonds (distance) P-C4' energy: -56.255
flat angles C4'-P-C4' energy: -56.851
flat angles P-C4'-P energy: -39.156
tors. eta vs tors. theta energy: -47.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -613.299614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.299614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.299614 (E_RNA)
where:
Base-Base interactions energy: -385.520
where: short stacking energy: -181.287
Base-Backbone interact. energy: -0.148
local terms energy: -227.630797
where:
bonds (distance) C4'-P energy: -50.488
bonds (distance) P-C4' energy: -50.370
flat angles C4'-P-C4' energy: -53.895
flat angles P-C4'-P energy: -22.066
tors. eta vs tors. theta energy: -50.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -447.347426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.347426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.347426 (E_RNA)
where:
Base-Base interactions energy: -261.983
where: short stacking energy: -126.771
Base-Backbone interact. energy: 0.663
local terms energy: -186.027872
where:
bonds (distance) C4'-P energy: -42.216
bonds (distance) P-C4' energy: -59.703
flat angles C4'-P-C4' energy: -44.504
flat angles P-C4'-P energy: -22.095
tors. eta vs tors. theta energy: -17.510
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: 5
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -487.294447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.294447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.294447 (E_RNA)
where:
Base-Base interactions energy: -298.626
where: short stacking energy: -140.785
Base-Backbone interact. energy: -1.490
local terms energy: -187.178657
where:
bonds (distance) C4'-P energy: -50.851
bonds (distance) P-C4' energy: -42.520
flat angles C4'-P-C4' energy: -46.256
flat angles P-C4'-P energy: -30.239
tors. eta vs tors. theta energy: -17.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -363.205003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.205003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.205003 (E_RNA)
where:
Base-Base interactions energy: -169.565
where: short stacking energy: -100.443
Base-Backbone interact. energy: -0.073
local terms energy: -193.567591
where:
bonds (distance) C4'-P energy: -51.275
bonds (distance) P-C4' energy: -55.961
flat angles C4'-P-C4' energy: -39.428
flat angles P-C4'-P energy: -32.635
tors. eta vs tors. theta energy: -14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -237.691117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.691117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.691117 (E_RNA)
where:
Base-Base interactions energy: -96.484
where: short stacking energy: -81.967
Base-Backbone interact. energy: -0.737
local terms energy: -140.469830
where:
bonds (distance) C4'-P energy: -52.142
bonds (distance) P-C4' energy: -53.178
flat angles C4'-P-C4' energy: -41.005
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: 21.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -913.157324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.157324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.157324 (E_RNA)
where:
Base-Base interactions energy: -618.422
where: short stacking energy: -238.002
Base-Backbone interact. energy: -1.231
local terms energy: -293.503908
where:
bonds (distance) C4'-P energy: -59.577
bonds (distance) P-C4' energy: -63.082
flat angles C4'-P-C4' energy: -61.922
flat angles P-C4'-P energy: -43.997
tors. eta vs tors. theta energy: -64.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -909.948298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.948298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.948298 (E_RNA)
where:
Base-Base interactions energy: -609.923
where: short stacking energy: -274.040
Base-Backbone interact. energy: -1.288
local terms energy: -298.737850
where:
bonds (distance) C4'-P energy: -57.988
bonds (distance) P-C4' energy: -52.300
flat angles C4'-P-C4' energy: -60.607
flat angles P-C4'-P energy: -39.194
tors. eta vs tors. theta energy: -88.649
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: 3, replica: 6
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -840.584985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.584985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.584985 (E_RNA)
where:
Base-Base interactions energy: -579.731
where: short stacking energy: -235.304
Base-Backbone interact. energy: -2.143
local terms energy: -258.711535
where:
bonds (distance) C4'-P energy: -31.252
bonds (distance) P-C4' energy: -57.650
flat angles C4'-P-C4' energy: -57.739
flat angles P-C4'-P energy: -42.653
tors. eta vs tors. theta energy: -69.417
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: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -799.122674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.122674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.122674 (E_RNA)
where:
Base-Base interactions energy: -516.191
where: short stacking energy: -240.272
Base-Backbone interact. energy: 0.216
local terms energy: -283.147337
where:
bonds (distance) C4'-P energy: -57.159
bonds (distance) P-C4' energy: -58.872
flat angles C4'-P-C4' energy: -52.683
flat angles P-C4'-P energy: -42.869
tors. eta vs tors. theta energy: -71.564
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: 5, replica: 8
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -672.501335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.501335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.501335 (E_RNA)
where:
Base-Base interactions energy: -409.848
where: short stacking energy: -204.482
Base-Backbone interact. energy: 0.405
local terms energy: -263.058753
where:
bonds (distance) C4'-P energy: -54.833
bonds (distance) P-C4' energy: -51.993
flat angles C4'-P-C4' energy: -58.847
flat angles P-C4'-P energy: -38.832
tors. eta vs tors. theta energy: -58.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -628.063097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.063097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.063097 (E_RNA)
where:
Base-Base interactions energy: -396.708
where: short stacking energy: -175.619
Base-Backbone interact. energy: -2.150
local terms energy: -229.205373
where:
bonds (distance) C4'-P energy: -47.622
bonds (distance) P-C4' energy: -48.754
flat angles C4'-P-C4' energy: -59.137
flat angles P-C4'-P energy: -32.738
tors. eta vs tors. theta energy: -40.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -525.045800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.045800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.045800 (E_RNA)
where:
Base-Base interactions energy: -304.910
where: short stacking energy: -166.486
Base-Backbone interact. energy: -0.664
local terms energy: -219.472421
where:
bonds (distance) C4'-P energy: -57.614
bonds (distance) P-C4' energy: -55.887
flat angles C4'-P-C4' energy: -44.033
flat angles P-C4'-P energy: -22.270
tors. eta vs tors. theta energy: -39.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -446.633671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.633671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.633671 (E_RNA)
where:
Base-Base interactions energy: -253.229
where: short stacking energy: -127.877
Base-Backbone interact. energy: -1.733
local terms energy: -191.671833
where:
bonds (distance) C4'-P energy: -43.481
bonds (distance) P-C4' energy: -53.251
flat angles C4'-P-C4' energy: -49.978
flat angles P-C4'-P energy: -36.473
tors. eta vs tors. theta energy: -8.489
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: 1
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -424.804496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.804496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.804496 (E_RNA)
where:
Base-Base interactions energy: -253.059
where: short stacking energy: -127.171
Base-Backbone interact. energy: -1.695
local terms energy: -170.050799
where:
bonds (distance) C4'-P energy: -47.035
bonds (distance) P-C4' energy: -39.044
flat angles C4'-P-C4' energy: -47.613
flat angles P-C4'-P energy: -26.218
tors. eta vs tors. theta energy: -10.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -230.514208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.514208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.514208 (E_RNA)
where:
Base-Base interactions energy: -84.909
where: short stacking energy: -66.328
Base-Backbone interact. energy: -0.204
local terms energy: -145.401233
where:
bonds (distance) C4'-P energy: -49.501
bonds (distance) P-C4' energy: -49.218
flat angles C4'-P-C4' energy: -37.430
flat angles P-C4'-P energy: -22.824
tors. eta vs tors. theta energy: 13.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -946.262671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.262671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.262671 (E_RNA)
where:
Base-Base interactions energy: -662.661
where: short stacking energy: -269.566
Base-Backbone interact. energy: -5.084
local terms energy: -278.517974
where:
bonds (distance) C4'-P energy: -50.734
bonds (distance) P-C4' energy: -55.712
flat angles C4'-P-C4' energy: -53.043
flat angles P-C4'-P energy: -46.597
tors. eta vs tors. theta energy: -72.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -898.509399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.509399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.509399 (E_RNA)
where:
Base-Base interactions energy: -609.198
where: short stacking energy: -279.580
Base-Backbone interact. energy: -2.339
local terms energy: -286.972277
where:
bonds (distance) C4'-P energy: -55.233
bonds (distance) P-C4' energy: -52.336
flat angles C4'-P-C4' energy: -60.037
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -82.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -839.725296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.725296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.725296 (E_RNA)
where:
Base-Base interactions energy: -569.649
where: short stacking energy: -246.830
Base-Backbone interact. energy: -1.070
local terms energy: -269.006823
where:
bonds (distance) C4'-P energy: -51.925
bonds (distance) P-C4' energy: -49.804
flat angles C4'-P-C4' energy: -59.941
flat angles P-C4'-P energy: -37.122
tors. eta vs tors. theta energy: -70.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -825.477611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.477611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.477611 (E_RNA)
where:
Base-Base interactions energy: -546.140
where: short stacking energy: -249.531
Base-Backbone interact. energy: -1.780
local terms energy: -277.558516
where:
bonds (distance) C4'-P energy: -44.091
bonds (distance) P-C4' energy: -52.894
flat angles C4'-P-C4' energy: -57.977
flat angles P-C4'-P energy: -47.593
tors. eta vs tors. theta energy: -75.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -702.939180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.939180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.939180 (E_RNA)
where:
Base-Base interactions energy: -428.609
where: short stacking energy: -234.479
Base-Backbone interact. energy: -0.994
local terms energy: -273.335942
where:
bonds (distance) C4'-P energy: -52.632
bonds (distance) P-C4' energy: -61.995
flat angles C4'-P-C4' energy: -54.205
flat angles P-C4'-P energy: -36.648
tors. eta vs tors. theta energy: -67.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -653.569881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.569881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.569881 (E_RNA)
where:
Base-Base interactions energy: -414.408
where: short stacking energy: -180.127
Base-Backbone interact. energy: -0.891
local terms energy: -238.271304
where:
bonds (distance) C4'-P energy: -59.878
bonds (distance) P-C4' energy: -53.131
flat angles C4'-P-C4' energy: -50.577
flat angles P-C4'-P energy: -34.918
tors. eta vs tors. theta energy: -39.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -525.867710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.867710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.867710 (E_RNA)
where:
Base-Base interactions energy: -296.164
where: short stacking energy: -148.793
Base-Backbone interact. energy: 0.433
local terms energy: -230.136726
where:
bonds (distance) C4'-P energy: -51.532
bonds (distance) P-C4' energy: -54.604
flat angles C4'-P-C4' energy: -61.538
flat angles P-C4'-P energy: -36.494
tors. eta vs tors. theta energy: -25.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -540.203653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.203653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.203653 (E_RNA)
where:
Base-Base interactions energy: -334.316
where: short stacking energy: -172.261
Base-Backbone interact. energy: -0.620
local terms energy: -205.267427
where:
bonds (distance) C4'-P energy: -45.675
bonds (distance) P-C4' energy: -54.258
flat angles C4'-P-C4' energy: -52.849
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -37.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -408.897595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.897595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.897595 (E_RNA)
where:
Base-Base interactions energy: -222.662
where: short stacking energy: -126.346
Base-Backbone interact. energy: -1.162
local terms energy: -185.073719
where:
bonds (distance) C4'-P energy: -41.908
bonds (distance) P-C4' energy: -54.256
flat angles C4'-P-C4' energy: -43.972
flat angles P-C4'-P energy: -24.164
tors. eta vs tors. theta energy: -20.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -224.996340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.996340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.996340 (E_RNA)
where:
Base-Base interactions energy: -72.680
where: short stacking energy: -56.862
Base-Backbone interact. energy: -0.752
local terms energy: -151.564088
where:
bonds (distance) C4'-P energy: -42.883
bonds (distance) P-C4' energy: -52.399
flat angles C4'-P-C4' energy: -46.149
flat angles P-C4'-P energy: -21.442
tors. eta vs tors. theta energy: 11.309
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: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -916.131052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.131052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.131052 (E_RNA)
where:
Base-Base interactions energy: -630.882
where: short stacking energy: -281.029
Base-Backbone interact. energy: 0.088
local terms energy: -285.336795
where:
bonds (distance) C4'-P energy: -63.308
bonds (distance) P-C4' energy: -56.105
flat angles C4'-P-C4' energy: -54.380
flat angles P-C4'-P energy: -34.543
tors. eta vs tors. theta energy: -77.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -887.168516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.168516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.168516 (E_RNA)
where:
Base-Base interactions energy: -604.867
where: short stacking energy: -273.565
Base-Backbone interact. energy: -0.459
local terms energy: -281.843230
where:
bonds (distance) C4'-P energy: -49.050
bonds (distance) P-C4' energy: -52.517
flat angles C4'-P-C4' energy: -59.285
flat angles P-C4'-P energy: -45.098
tors. eta vs tors. theta energy: -75.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -859.315610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.315610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.315610 (E_RNA)
where:
Base-Base interactions energy: -572.215
where: short stacking energy: -269.633
Base-Backbone interact. energy: -1.103
local terms energy: -285.996964
where:
bonds (distance) C4'-P energy: -46.310
bonds (distance) P-C4' energy: -55.783
flat angles C4'-P-C4' energy: -60.466
flat angles P-C4'-P energy: -36.943
tors. eta vs tors. theta energy: -86.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -814.016854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.016854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.016854 (E_RNA)
where:
Base-Base interactions energy: -550.500
where: short stacking energy: -229.143
Base-Backbone interact. energy: -1.597
local terms energy: -261.920182
where:
bonds (distance) C4'-P energy: -53.392
bonds (distance) P-C4' energy: -48.728
flat angles C4'-P-C4' energy: -54.420
flat angles P-C4'-P energy: -42.563
tors. eta vs tors. theta energy: -62.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -636.548724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.548724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.548724 (E_RNA)
where:
Base-Base interactions energy: -387.649
where: short stacking energy: -189.217
Base-Backbone interact. energy: 1.223
local terms energy: -250.122628
where:
bonds (distance) C4'-P energy: -44.772
bonds (distance) P-C4' energy: -61.070
flat angles C4'-P-C4' energy: -58.288
flat angles P-C4'-P energy: -40.026
tors. eta vs tors. theta energy: -45.967
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: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -590.979320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.979320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.979320 (E_RNA)
where:
Base-Base interactions energy: -338.650
where: short stacking energy: -167.806
Base-Backbone interact. energy: -0.500
local terms energy: -251.830069
where:
bonds (distance) C4'-P energy: -47.818
bonds (distance) P-C4' energy: -59.299
flat angles C4'-P-C4' energy: -56.967
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: -46.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -540.360642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.360642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.360642 (E_RNA)
where:
Base-Base interactions energy: -357.630
where: short stacking energy: -168.390
Base-Backbone interact. energy: -0.804
local terms energy: -181.926646
where:
bonds (distance) C4'-P energy: -43.421
bonds (distance) P-C4' energy: -44.655
flat angles C4'-P-C4' energy: -46.744
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -34.341
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: 5
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -506.283412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.283412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.283412 (E_RNA)
where:
Base-Base interactions energy: -303.135
where: short stacking energy: -139.252
Base-Backbone interact. energy: -1.111
local terms energy: -202.036707
where:
bonds (distance) C4'-P energy: -48.006
bonds (distance) P-C4' energy: -50.608
flat angles C4'-P-C4' energy: -40.247
flat angles P-C4'-P energy: -32.306
tors. eta vs tors. theta energy: -30.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -361.062702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.062702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.062702 (E_RNA)
where:
Base-Base interactions energy: -211.934
where: short stacking energy: -114.623
Base-Backbone interact. energy: -1.407
local terms energy: -147.722062
where:
bonds (distance) C4'-P energy: -42.088
bonds (distance) P-C4' energy: -36.361
flat angles C4'-P-C4' energy: -37.651
flat angles P-C4'-P energy: -31.476
tors. eta vs tors. theta energy: -0.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -242.761134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.761134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.761134 (E_RNA)
where:
Base-Base interactions energy: -101.780
where: short stacking energy: -86.980
Base-Backbone interact. energy: -0.585
local terms energy: -140.396269
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -44.113
flat angles C4'-P-C4' energy: -38.554
flat angles P-C4'-P energy: -15.774
tors. eta vs tors. theta energy: 10.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -949.371509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.371509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.371509 (E_RNA)
where:
Base-Base interactions energy: -648.560
where: short stacking energy: -265.063
Base-Backbone interact. energy: -2.750
local terms energy: -298.061781
where:
bonds (distance) C4'-P energy: -55.309
bonds (distance) P-C4' energy: -58.120
flat angles C4'-P-C4' energy: -63.198
flat angles P-C4'-P energy: -47.087
tors. eta vs tors. theta energy: -74.348
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: 2, replica: 2
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -888.052514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.052514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.052514 (E_RNA)
where:
Base-Base interactions energy: -582.376
where: short stacking energy: -270.402
Base-Backbone interact. energy: 0.460
local terms energy: -306.136051
where:
bonds (distance) C4'-P energy: -60.678
bonds (distance) P-C4' energy: -55.584
flat angles C4'-P-C4' energy: -68.091
flat angles P-C4'-P energy: -45.066
tors. eta vs tors. theta energy: -76.717
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: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -865.523014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.523014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.523014 (E_RNA)
where:
Base-Base interactions energy: -586.304
where: short stacking energy: -266.299
Base-Backbone interact. energy: -1.566
local terms energy: -277.653281
where:
bonds (distance) C4'-P energy: -53.371
bonds (distance) P-C4' energy: -49.615
flat angles C4'-P-C4' energy: -58.247
flat angles P-C4'-P energy: -39.894
tors. eta vs tors. theta energy: -76.527
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: 33
Temperature: 1.050000
Total energy: -834.632301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.632301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.632301 (E_RNA)
where:
Base-Base interactions energy: -574.083
where: short stacking energy: -237.811
Base-Backbone interact. energy: -0.975
local terms energy: -259.574163
where:
bonds (distance) C4'-P energy: -51.724
bonds (distance) P-C4' energy: -38.479
flat angles C4'-P-C4' energy: -59.082
flat angles P-C4'-P energy: -38.240
tors. eta vs tors. theta energy: -72.049
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: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -677.669061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.669061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.669061 (E_RNA)
where:
Base-Base interactions energy: -456.569
where: short stacking energy: -215.293
Base-Backbone interact. energy: 1.169
local terms energy: -222.268483
where:
bonds (distance) C4'-P energy: -41.959
bonds (distance) P-C4' energy: -46.132
flat angles C4'-P-C4' energy: -61.629
flat angles P-C4'-P energy: -29.768
tors. eta vs tors. theta energy: -42.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -606.668726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.668726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.668726 (E_RNA)
where:
Base-Base interactions energy: -400.927
where: short stacking energy: -167.395
Base-Backbone interact. energy: -0.663
local terms energy: -205.078710
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -51.795
flat angles C4'-P-C4' energy: -43.523
flat angles P-C4'-P energy: -31.643
tors. eta vs tors. theta energy: -25.429
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: 1
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -592.385307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.385307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.385307 (E_RNA)
where:
Base-Base interactions energy: -374.483
where: short stacking energy: -170.515
Base-Backbone interact. energy: -0.928
local terms energy: -216.974066
where:
bonds (distance) C4'-P energy: -45.994
bonds (distance) P-C4' energy: -46.472
flat angles C4'-P-C4' energy: -43.372
flat angles P-C4'-P energy: -34.568
tors. eta vs tors. theta energy: -46.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -477.334131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.334131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.334131 (E_RNA)
where:
Base-Base interactions energy: -277.076
where: short stacking energy: -130.549
Base-Backbone interact. energy: -0.673
local terms energy: -199.584881
where:
bonds (distance) C4'-P energy: -45.893
bonds (distance) P-C4' energy: -62.812
flat angles C4'-P-C4' energy: -34.190
flat angles P-C4'-P energy: -30.495
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -367.620260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.620260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.620260 (E_RNA)
where:
Base-Base interactions energy: -188.851
where: short stacking energy: -117.066
Base-Backbone interact. energy: -1.413
local terms energy: -177.356888
where:
bonds (distance) C4'-P energy: -33.679
bonds (distance) P-C4' energy: -46.194
flat angles C4'-P-C4' energy: -45.058
flat angles P-C4'-P energy: -31.526
tors. eta vs tors. theta energy: -20.900
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: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -273.237754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.237754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.237754 (E_RNA)
where:
Base-Base interactions energy: -114.542
where: short stacking energy: -82.909
Base-Backbone interact. energy: 1.875
local terms energy: -160.571133
where:
bonds (distance) C4'-P energy: -53.025
bonds (distance) P-C4' energy: -46.427
flat angles C4'-P-C4' energy: -34.942
flat angles P-C4'-P energy: -16.860
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: 1, replica: 7
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -939.351357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.351357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.351357 (E_RNA)
where:
Base-Base interactions energy: -640.955
where: short stacking energy: -275.347
Base-Backbone interact. energy: -1.695
local terms energy: -296.701212
where:
bonds (distance) C4'-P energy: -54.809
bonds (distance) P-C4' energy: -55.216
flat angles C4'-P-C4' energy: -63.792
flat angles P-C4'-P energy: -45.851
tors. eta vs tors. theta energy: -77.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -903.945496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.945496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.945496 (E_RNA)
where:
Base-Base interactions energy: -608.474
where: short stacking energy: -274.642
Base-Backbone interact. energy: -0.890
local terms energy: -294.581462
where:
bonds (distance) C4'-P energy: -49.114
bonds (distance) P-C4' energy: -56.113
flat angles C4'-P-C4' energy: -64.677
flat angles P-C4'-P energy: -38.829
tors. eta vs tors. theta energy: -85.849
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: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -853.929989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.929989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.929989 (E_RNA)
where:
Base-Base interactions energy: -576.625
where: short stacking energy: -274.315
Base-Backbone interact. energy: -0.428
local terms energy: -276.877739
where:
bonds (distance) C4'-P energy: -56.034
bonds (distance) P-C4' energy: -54.389
flat angles C4'-P-C4' energy: -46.058
flat angles P-C4'-P energy: -38.946
tors. eta vs tors. theta energy: -81.451
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: 4, replica: 6
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -830.315675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.315675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.315675 (E_RNA)
where:
Base-Base interactions energy: -557.093
where: short stacking energy: -227.419
Base-Backbone interact. energy: 1.408
local terms energy: -274.630715
where:
bonds (distance) C4'-P energy: -51.908
bonds (distance) P-C4' energy: -65.050
flat angles C4'-P-C4' energy: -58.982
flat angles P-C4'-P energy: -33.979
tors. eta vs tors. theta energy: -64.712
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: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -710.872849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.872849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.872849 (E_RNA)
where:
Base-Base interactions energy: -437.960
where: short stacking energy: -216.069
Base-Backbone interact. energy: -0.907
local terms energy: -272.005375
where:
bonds (distance) C4'-P energy: -60.769
bonds (distance) P-C4' energy: -55.975
flat angles C4'-P-C4' energy: -55.368
flat angles P-C4'-P energy: -38.362
tors. eta vs tors. theta energy: -61.530
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: 6, replica: 4
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -665.125814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.125814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.125814 (E_RNA)
where:
Base-Base interactions energy: -425.026
where: short stacking energy: -202.456
Base-Backbone interact. energy: -1.033
local terms energy: -239.066076
where:
bonds (distance) C4'-P energy: -46.966
bonds (distance) P-C4' energy: -52.507
flat angles C4'-P-C4' energy: -58.356
flat angles P-C4'-P energy: -31.845
tors. eta vs tors. theta energy: -49.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -562.561900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.561900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.561900 (E_RNA)
where:
Base-Base interactions energy: -352.973
where: short stacking energy: -179.279
Base-Backbone interact. energy: -2.562
local terms energy: -207.026633
where:
bonds (distance) C4'-P energy: -44.816
bonds (distance) P-C4' energy: -41.915
flat angles C4'-P-C4' energy: -49.435
flat angles P-C4'-P energy: -32.113
tors. eta vs tors. theta energy: -38.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -491.351538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.351538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.351538 (E_RNA)
where:
Base-Base interactions energy: -291.119
where: short stacking energy: -143.912
Base-Backbone interact. energy: 0.280
local terms energy: -200.512781
where:
bonds (distance) C4'-P energy: -49.809
bonds (distance) P-C4' energy: -51.343
flat angles C4'-P-C4' energy: -41.823
flat angles P-C4'-P energy: -24.391
tors. eta vs tors. theta energy: -33.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -351.219274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.219274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.219274 (E_RNA)
where:
Base-Base interactions energy: -191.051
where: short stacking energy: -124.030
Base-Backbone interact. energy: 0.928
local terms energy: -161.096276
where:
bonds (distance) C4'-P energy: -43.134
bonds (distance) P-C4' energy: -40.109
flat angles C4'-P-C4' energy: -41.040
flat angles P-C4'-P energy: -18.802
tors. eta vs tors. theta energy: -18.011
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: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -250.791242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.791242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.791242 (E_RNA)
where:
Base-Base interactions energy: -77.681
where: short stacking energy: -65.748
Base-Backbone interact. energy: -1.024
local terms energy: -172.086710
where:
bonds (distance) C4'-P energy: -48.486
bonds (distance) P-C4' energy: -50.367
flat angles C4'-P-C4' energy: -41.617
flat angles P-C4'-P energy: -37.846
tors. eta vs tors. theta energy: 6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -919.949535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.949535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.949535 (E_RNA)
where:
Base-Base interactions energy: -616.512
where: short stacking energy: -247.150
Base-Backbone interact. energy: 4.898
local terms energy: -308.335594
where:
bonds (distance) C4'-P energy: -60.209
bonds (distance) P-C4' energy: -65.308
flat angles C4'-P-C4' energy: -62.604
flat angles P-C4'-P energy: -49.068
tors. eta vs tors. theta energy: -71.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -896.268264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.268264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.268264 (E_RNA)
where:
Base-Base interactions energy: -581.940
where: short stacking energy: -277.918
Base-Backbone interact. energy: -1.093
local terms energy: -313.234820
where:
bonds (distance) C4'-P energy: -56.018
bonds (distance) P-C4' energy: -67.549
flat angles C4'-P-C4' energy: -66.483
flat angles P-C4'-P energy: -44.385
tors. eta vs tors. theta energy: -78.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -869.833548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.833548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.833548 (E_RNA)
where:
Base-Base interactions energy: -583.791
where: short stacking energy: -249.806
Base-Backbone interact. energy: -1.577
local terms energy: -284.465396
where:
bonds (distance) C4'-P energy: -50.130
bonds (distance) P-C4' energy: -58.613
flat angles C4'-P-C4' energy: -59.229
flat angles P-C4'-P energy: -50.759
tors. eta vs tors. theta energy: -65.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -830.887863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.887863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.887863 (E_RNA)
where:
Base-Base interactions energy: -565.045
where: short stacking energy: -235.743
Base-Backbone interact. energy: 4.617
local terms energy: -270.460567
where:
bonds (distance) C4'-P energy: -59.419
bonds (distance) P-C4' energy: -56.113
flat angles C4'-P-C4' energy: -52.596
flat angles P-C4'-P energy: -38.631
tors. eta vs tors. theta energy: -63.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -706.338536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.338536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.338536 (E_RNA)
where:
Base-Base interactions energy: -451.243
where: short stacking energy: -211.565
Base-Backbone interact. energy: -1.788
local terms energy: -253.307372
where:
bonds (distance) C4'-P energy: -41.956
bonds (distance) P-C4' energy: -55.826
flat angles C4'-P-C4' energy: -46.044
flat angles P-C4'-P energy: -38.325
tors. eta vs tors. theta energy: -71.156
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: 4
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -690.867621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.867621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.867621 (E_RNA)
where:
Base-Base interactions energy: -447.902
where: short stacking energy: -204.619
Base-Backbone interact. energy: -0.499
local terms energy: -242.467067
where:
bonds (distance) C4'-P energy: -53.666
bonds (distance) P-C4' energy: -48.819
flat angles C4'-P-C4' energy: -45.465
flat angles P-C4'-P energy: -37.627
tors. eta vs tors. theta energy: -56.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -495.333552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.333552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.333552 (E_RNA)
where:
Base-Base interactions energy: -296.535
where: short stacking energy: -131.743
Base-Backbone interact. energy: -2.054
local terms energy: -196.744306
where:
bonds (distance) C4'-P energy: -47.220
bonds (distance) P-C4' energy: -59.012
flat angles C4'-P-C4' energy: -42.641
flat angles P-C4'-P energy: -23.633
tors. eta vs tors. theta energy: -24.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -478.166301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.166301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.166301 (E_RNA)
where:
Base-Base interactions energy: -269.601
where: short stacking energy: -140.109
Base-Backbone interact. energy: -0.332
local terms energy: -208.233627
where:
bonds (distance) C4'-P energy: -62.044
bonds (distance) P-C4' energy: -47.902
flat angles C4'-P-C4' energy: -47.034
flat angles P-C4'-P energy: -27.275
tors. eta vs tors. theta energy: -23.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -366.200030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.200030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.200030 (E_RNA)
where:
Base-Base interactions energy: -188.921
where: short stacking energy: -105.163
Base-Backbone interact. energy: 2.635
local terms energy: -179.914703
where:
bonds (distance) C4'-P energy: -49.004
bonds (distance) P-C4' energy: -45.098
flat angles C4'-P-C4' energy: -40.828
flat angles P-C4'-P energy: -28.356
tors. eta vs tors. theta energy: -16.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -250.909823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.909823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.909823 (E_RNA)
where:
Base-Base interactions energy: -75.541
where: short stacking energy: -65.237
Base-Backbone interact. energy: -0.299
local terms energy: -175.070006
where:
bonds (distance) C4'-P energy: -51.233
bonds (distance) P-C4' energy: -57.216
flat angles C4'-P-C4' energy: -53.571
flat angles P-C4'-P energy: -23.505
tors. eta vs tors. theta energy: 10.455
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: 1, replica: 7
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -906.354718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.354718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.354718 (E_RNA)
where:
Base-Base interactions energy: -609.396
where: short stacking energy: -260.618
Base-Backbone interact. energy: -2.839
local terms energy: -294.119967
where:
bonds (distance) C4'-P energy: -60.016
bonds (distance) P-C4' energy: -60.582
flat angles C4'-P-C4' energy: -64.489
flat angles P-C4'-P energy: -35.273
tors. eta vs tors. theta energy: -73.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -873.381331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.381331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.381331 (E_RNA)
where:
Base-Base interactions energy: -579.337
where: short stacking energy: -269.340
Base-Backbone interact. energy: -1.036
local terms energy: -293.008146
where:
bonds (distance) C4'-P energy: -50.006
bonds (distance) P-C4' energy: -53.507
flat angles C4'-P-C4' energy: -62.588
flat angles P-C4'-P energy: -46.446
tors. eta vs tors. theta energy: -80.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -863.311566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.311566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.311566 (E_RNA)
where:
Base-Base interactions energy: -574.613
where: short stacking energy: -254.928
Base-Backbone interact. energy: -1.377
local terms energy: -287.321782
where:
bonds (distance) C4'-P energy: -53.120
bonds (distance) P-C4' energy: -58.793
flat angles C4'-P-C4' energy: -63.689
flat angles P-C4'-P energy: -42.761
tors. eta vs tors. theta energy: -68.959
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: 4, replica: 6
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -848.845050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.845050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.845050 (E_RNA)
where:
Base-Base interactions energy: -572.451
where: short stacking energy: -253.175
Base-Backbone interact. energy: 0.889
local terms energy: -277.283208
where:
bonds (distance) C4'-P energy: -46.436
bonds (distance) P-C4' energy: -52.601
flat angles C4'-P-C4' energy: -60.692
flat angles P-C4'-P energy: -41.864
tors. eta vs tors. theta energy: -75.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -669.825642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.825642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.825642 (E_RNA)
where:
Base-Base interactions energy: -424.225
where: short stacking energy: -211.925
Base-Backbone interact. energy: -0.830
local terms energy: -244.771418
where:
bonds (distance) C4'-P energy: -51.030
bonds (distance) P-C4' energy: -48.256
flat angles C4'-P-C4' energy: -56.301
flat angles P-C4'-P energy: -46.380
tors. eta vs tors. theta energy: -42.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -679.923501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.923501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.923501 (E_RNA)
where:
Base-Base interactions energy: -444.964
where: short stacking energy: -208.965
Base-Backbone interact. energy: -1.916
local terms energy: -233.043112
where:
bonds (distance) C4'-P energy: -51.327
bonds (distance) P-C4' energy: -50.344
flat angles C4'-P-C4' energy: -48.336
flat angles P-C4'-P energy: -30.244
tors. eta vs tors. theta energy: -52.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -504.573764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.573764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.573764 (E_RNA)
where:
Base-Base interactions energy: -321.943
where: short stacking energy: -166.688
Base-Backbone interact. energy: 0.659
local terms energy: -183.290110
where:
bonds (distance) C4'-P energy: -37.637
bonds (distance) P-C4' energy: -46.283
flat angles C4'-P-C4' energy: -37.796
flat angles P-C4'-P energy: -28.551
tors. eta vs tors. theta energy: -33.023
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: 1
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -505.131386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.131386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.131386 (E_RNA)
where:
Base-Base interactions energy: -310.485
where: short stacking energy: -160.627
Base-Backbone interact. energy: -1.779
local terms energy: -192.867796
where:
bonds (distance) C4'-P energy: -44.043
bonds (distance) P-C4' energy: -48.956
flat angles C4'-P-C4' energy: -49.240
flat angles P-C4'-P energy: -26.768
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -358.030889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.030889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.030889 (E_RNA)
where:
Base-Base interactions energy: -178.261
where: short stacking energy: -118.200
Base-Backbone interact. energy: -0.935
local terms energy: -178.834961
where:
bonds (distance) C4'-P energy: -39.520
bonds (distance) P-C4' energy: -50.842
flat angles C4'-P-C4' energy: -50.445
flat angles P-C4'-P energy: -35.151
tors. eta vs tors. theta energy: -2.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -244.947885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.947885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.947885 (E_RNA)
where:
Base-Base interactions energy: -84.555
where: short stacking energy: -70.920
Base-Backbone interact. energy: -0.879
local terms energy: -159.512983
where:
bonds (distance) C4'-P energy: -53.013
bonds (distance) P-C4' energy: -45.358
flat angles C4'-P-C4' energy: -42.675
flat angles P-C4'-P energy: -25.594
tors. eta vs tors. theta energy: 7.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -918.815275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.815275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.815275 (E_RNA)
where:
Base-Base interactions energy: -642.423
where: short stacking energy: -277.061
Base-Backbone interact. energy: 0.712
local terms energy: -277.104675
where:
bonds (distance) C4'-P energy: -54.701
bonds (distance) P-C4' energy: -54.518
flat angles C4'-P-C4' energy: -61.379
flat angles P-C4'-P energy: -33.685
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: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -900.471492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.471492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.471492 (E_RNA)
where:
Base-Base interactions energy: -599.962
where: short stacking energy: -281.511
Base-Backbone interact. energy: 0.535
local terms energy: -301.044343
where:
bonds (distance) C4'-P energy: -58.908
bonds (distance) P-C4' energy: -51.172
flat angles C4'-P-C4' energy: -67.146
flat angles P-C4'-P energy: -43.359
tors. eta vs tors. theta energy: -80.460
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: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -834.753762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.753762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.753762 (E_RNA)
where:
Base-Base interactions energy: -569.109
where: short stacking energy: -254.088
Base-Backbone interact. energy: -0.660
local terms energy: -264.984213
where:
bonds (distance) C4'-P energy: -48.353
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -60.845
flat angles P-C4'-P energy: -38.729
tors. eta vs tors. theta energy: -66.288
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: 37
Temperature: 1.050000
Total energy: -839.925401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.925401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.925401 (E_RNA)
where:
Base-Base interactions energy: -586.455
where: short stacking energy: -233.674
Base-Backbone interact. energy: -0.319
local terms energy: -253.151814
where:
bonds (distance) C4'-P energy: -51.791
bonds (distance) P-C4' energy: -50.658
flat angles C4'-P-C4' energy: -54.074
flat angles P-C4'-P energy: -30.544
tors. eta vs tors. theta energy: -66.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -676.488969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.488969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.488969 (E_RNA)
where:
Base-Base interactions energy: -450.153
where: short stacking energy: -207.799
Base-Backbone interact. energy: -0.708
local terms energy: -225.627598
where:
bonds (distance) C4'-P energy: -54.361
bonds (distance) P-C4' energy: -32.152
flat angles C4'-P-C4' energy: -50.554
flat angles P-C4'-P energy: -40.406
tors. eta vs tors. theta energy: -48.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -669.190760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.190760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.190760 (E_RNA)
where:
Base-Base interactions energy: -423.492
where: short stacking energy: -198.510
Base-Backbone interact. energy: -2.801
local terms energy: -242.897814
where:
bonds (distance) C4'-P energy: -48.980
bonds (distance) P-C4' energy: -49.971
flat angles C4'-P-C4' energy: -55.115
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -51.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -549.765815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.765815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.765815 (E_RNA)
where:
Base-Base interactions energy: -354.434
where: short stacking energy: -163.316
Base-Backbone interact. energy: -0.289
local terms energy: -195.042996
where:
bonds (distance) C4'-P energy: -49.131
bonds (distance) P-C4' energy: -40.904
flat angles C4'-P-C4' energy: -41.044
flat angles P-C4'-P energy: -26.532
tors. eta vs tors. theta energy: -37.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -478.668229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.668229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.668229 (E_RNA)
where:
Base-Base interactions energy: -291.657
where: short stacking energy: -137.926
Base-Backbone interact. energy: 1.881
local terms energy: -188.892435
where:
bonds (distance) C4'-P energy: -45.895
bonds (distance) P-C4' energy: -45.620
flat angles C4'-P-C4' energy: -38.844
flat angles P-C4'-P energy: -25.404
tors. eta vs tors. theta energy: -33.129
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: 9, replica: 10
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -358.758154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.758154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.758154 (E_RNA)
where:
Base-Base interactions energy: -198.364
where: short stacking energy: -113.731
Base-Backbone interact. energy: -0.946
local terms energy: -159.448300
where:
bonds (distance) C4'-P energy: -37.547
bonds (distance) P-C4' energy: -51.083
flat angles C4'-P-C4' energy: -38.226
flat angles P-C4'-P energy: -19.559
tors. eta vs tors. theta energy: -13.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -277.763041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.763041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.763041 (E_RNA)
where:
Base-Base interactions energy: -126.143
where: short stacking energy: -101.888
Base-Backbone interact. energy: 1.378
local terms energy: -152.998116
where:
bonds (distance) C4'-P energy: -52.854
bonds (distance) P-C4' energy: -42.880
flat angles C4'-P-C4' energy: -42.186
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -3.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -910.772104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.772104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.772104 (E_RNA)
where:
Base-Base interactions energy: -601.390
where: short stacking energy: -266.389
Base-Backbone interact. energy: -1.586
local terms energy: -307.795405
where:
bonds (distance) C4'-P energy: -53.525
bonds (distance) P-C4' energy: -65.950
flat angles C4'-P-C4' energy: -67.865
flat angles P-C4'-P energy: -45.418
tors. eta vs tors. theta energy: -75.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -901.654023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.654023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.654023 (E_RNA)
where:
Base-Base interactions energy: -613.181
where: short stacking energy: -281.222
Base-Backbone interact. energy: -0.446
local terms energy: -288.027536
where:
bonds (distance) C4'-P energy: -48.970
bonds (distance) P-C4' energy: -53.671
flat angles C4'-P-C4' energy: -61.239
flat angles P-C4'-P energy: -47.247
tors. eta vs tors. theta energy: -76.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -891.356144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.356144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.356144 (E_RNA)
where:
Base-Base interactions energy: -630.895
where: short stacking energy: -266.946
Base-Backbone interact. energy: -0.356
local terms energy: -260.105464
where:
bonds (distance) C4'-P energy: -49.976
bonds (distance) P-C4' energy: -38.256
flat angles C4'-P-C4' energy: -62.431
flat angles P-C4'-P energy: -38.649
tors. eta vs tors. theta energy: -70.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -808.486968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.486968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.486968 (E_RNA)
where:
Base-Base interactions energy: -524.400
where: short stacking energy: -238.379
Base-Backbone interact. energy: -0.996
local terms energy: -283.091757
where:
bonds (distance) C4'-P energy: -53.065
bonds (distance) P-C4' energy: -57.107
flat angles C4'-P-C4' energy: -57.899
flat angles P-C4'-P energy: -42.286
tors. eta vs tors. theta energy: -72.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -689.454638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.454638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.454638 (E_RNA)
where:
Base-Base interactions energy: -442.077
where: short stacking energy: -202.433
Base-Backbone interact. energy: -0.636
local terms energy: -246.741058
where:
bonds (distance) C4'-P energy: -52.770
bonds (distance) P-C4' energy: -55.730
flat angles C4'-P-C4' energy: -53.493
flat angles P-C4'-P energy: -31.611
tors. eta vs tors. theta energy: -53.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -624.921385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.921385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.921385 (E_RNA)
where:
Base-Base interactions energy: -401.658
where: short stacking energy: -187.720
Base-Backbone interact. energy: -1.081
local terms energy: -222.182024
where:
bonds (distance) C4'-P energy: -50.459
bonds (distance) P-C4' energy: -47.534
flat angles C4'-P-C4' energy: -48.520
flat angles P-C4'-P energy: -33.740
tors. eta vs tors. theta energy: -41.928
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: 7, replica: 5
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -565.293705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.293705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.293705 (E_RNA)
where:
Base-Base interactions energy: -356.728
where: short stacking energy: -165.580
Base-Backbone interact. energy: -1.104
local terms energy: -207.461220
where:
bonds (distance) C4'-P energy: -55.429
bonds (distance) P-C4' energy: -44.330
flat angles C4'-P-C4' energy: -46.019
flat angles P-C4'-P energy: -29.366
tors. eta vs tors. theta energy: -32.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -476.176101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.176101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.176101 (E_RNA)
where:
Base-Base interactions energy: -283.229
where: short stacking energy: -144.143
Base-Backbone interact. energy: -2.008
local terms energy: -190.938548
where:
bonds (distance) C4'-P energy: -43.132
bonds (distance) P-C4' energy: -46.195
flat angles C4'-P-C4' energy: -54.955
flat angles P-C4'-P energy: -19.658
tors. eta vs tors. theta energy: -26.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -381.916751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.916751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.916751 (E_RNA)
where:
Base-Base interactions energy: -216.503
where: short stacking energy: -123.849
Base-Backbone interact. energy: 5.306
local terms energy: -170.720274
where:
bonds (distance) C4'-P energy: -38.204
bonds (distance) P-C4' energy: -52.681
flat angles C4'-P-C4' energy: -44.964
flat angles P-C4'-P energy: -25.839
tors. eta vs tors. theta energy: -9.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -270.506132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.506132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.506132 (E_RNA)
where:
Base-Base interactions energy: -103.239
where: short stacking energy: -70.843
Base-Backbone interact. energy: -0.887
local terms energy: -166.380618
where:
bonds (distance) C4'-P energy: -39.166
bonds (distance) P-C4' energy: -54.398
flat angles C4'-P-C4' energy: -45.305
flat angles P-C4'-P energy: -30.588
tors. eta vs tors. theta energy: 3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -930.835003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.835003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.835003 (E_RNA)
where:
Base-Base interactions energy: -628.675
where: short stacking energy: -266.100
Base-Backbone interact. energy: -2.877
local terms energy: -299.282796
where:
bonds (distance) C4'-P energy: -61.752
bonds (distance) P-C4' energy: -55.996
flat angles C4'-P-C4' energy: -60.919
flat angles P-C4'-P energy: -39.138
tors. eta vs tors. theta energy: -81.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -901.805266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.805266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.805266 (E_RNA)
where:
Base-Base interactions energy: -603.426
where: short stacking energy: -263.245
Base-Backbone interact. energy: 0.324
local terms energy: -298.703122
where:
bonds (distance) C4'-P energy: -56.071
bonds (distance) P-C4' energy: -53.265
flat angles C4'-P-C4' energy: -62.853
flat angles P-C4'-P energy: -46.256
tors. eta vs tors. theta energy: -80.258
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: 6
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -898.853014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.853014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.853014 (E_RNA)
where:
Base-Base interactions energy: -616.557
where: short stacking energy: -258.145
Base-Backbone interact. energy: -1.420
local terms energy: -280.875857
where:
bonds (distance) C4'-P energy: -44.233
bonds (distance) P-C4' energy: -46.810
flat angles C4'-P-C4' energy: -65.667
flat angles P-C4'-P energy: -47.607
tors. eta vs tors. theta energy: -76.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -793.153732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.153732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.153732 (E_RNA)
where:
Base-Base interactions energy: -536.414
where: short stacking energy: -250.967
Base-Backbone interact. energy: -0.978
local terms energy: -255.761814
where:
bonds (distance) C4'-P energy: -49.662
bonds (distance) P-C4' energy: -40.827
flat angles C4'-P-C4' energy: -60.290
flat angles P-C4'-P energy: -33.835
tors. eta vs tors. theta energy: -71.148
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: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -687.972804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.972804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.972804 (E_RNA)
where:
Base-Base interactions energy: -437.835
where: short stacking energy: -217.085
Base-Backbone interact. energy: -0.311
local terms energy: -249.826854
where:
bonds (distance) C4'-P energy: -44.496
bonds (distance) P-C4' energy: -63.146
flat angles C4'-P-C4' energy: -51.831
flat angles P-C4'-P energy: -31.966
tors. eta vs tors. theta energy: -58.388
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: 4
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -661.763201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.763201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.763201 (E_RNA)
where:
Base-Base interactions energy: -434.878
where: short stacking energy: -207.989
Base-Backbone interact. energy: -2.721
local terms energy: -224.164042
where:
bonds (distance) C4'-P energy: -45.207
bonds (distance) P-C4' energy: -48.042
flat angles C4'-P-C4' energy: -56.060
flat angles P-C4'-P energy: -33.619
tors. eta vs tors. theta energy: -41.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -550.110871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.110871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.110871 (E_RNA)
where:
Base-Base interactions energy: -340.942
where: short stacking energy: -169.843
Base-Backbone interact. energy: -0.501
local terms energy: -208.668366
where:
bonds (distance) C4'-P energy: -43.747
bonds (distance) P-C4' energy: -52.661
flat angles C4'-P-C4' energy: -48.208
flat angles P-C4'-P energy: -30.095
tors. eta vs tors. theta energy: -33.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -456.415747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.415747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.415747 (E_RNA)
where:
Base-Base interactions energy: -268.759
where: short stacking energy: -134.909
Base-Backbone interact. energy: -0.757
local terms energy: -186.899652
where:
bonds (distance) C4'-P energy: -49.771
bonds (distance) P-C4' energy: -52.019
flat angles C4'-P-C4' energy: -45.222
flat angles P-C4'-P energy: -21.070
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: 9, replica: 10
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -365.589413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.589413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.589413 (E_RNA)
where:
Base-Base interactions energy: -192.592
where: short stacking energy: -106.691
Base-Backbone interact. energy: 0.539
local terms energy: -173.537117
where:
bonds (distance) C4'-P energy: -50.247
bonds (distance) P-C4' energy: -60.650
flat angles C4'-P-C4' energy: -44.117
flat angles P-C4'-P energy: -17.119
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -238.824819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.824819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.824819 (E_RNA)
where:
Base-Base interactions energy: -73.327
where: short stacking energy: -55.267
Base-Backbone interact. energy: -0.666
local terms energy: -164.832126
where:
bonds (distance) C4'-P energy: -55.299
bonds (distance) P-C4' energy: -55.224
flat angles C4'-P-C4' energy: -49.047
flat angles P-C4'-P energy: -13.613
tors. eta vs tors. theta energy: 8.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -951.009214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.009214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.009214 (E_RNA)
where:
Base-Base interactions energy: -639.726
where: short stacking energy: -271.385
Base-Backbone interact. energy: -0.738
local terms energy: -310.545382
where:
bonds (distance) C4'-P energy: -54.704
bonds (distance) P-C4' energy: -62.151
flat angles C4'-P-C4' energy: -65.438
flat angles P-C4'-P energy: -48.706
tors. eta vs tors. theta energy: -79.545
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: 7
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -923.815157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.815157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.815157 (E_RNA)
where:
Base-Base interactions energy: -632.025
where: short stacking energy: -271.322
Base-Backbone interact. energy: -0.999
local terms energy: -290.791968
where:
bonds (distance) C4'-P energy: -56.927
bonds (distance) P-C4' energy: -46.085
flat angles C4'-P-C4' energy: -63.646
flat angles P-C4'-P energy: -41.993
tors. eta vs tors. theta energy: -82.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -892.160500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.160500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.160500 (E_RNA)
where:
Base-Base interactions energy: -612.313
where: short stacking energy: -258.458
Base-Backbone interact. energy: 2.132
local terms energy: -281.979083
where:
bonds (distance) C4'-P energy: -50.027
bonds (distance) P-C4' energy: -53.832
flat angles C4'-P-C4' energy: -60.780
flat angles P-C4'-P energy: -43.317
tors. eta vs tors. theta energy: -74.023
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: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -799.687905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.687905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.687905 (E_RNA)
where:
Base-Base interactions energy: -518.502
where: short stacking energy: -255.301
Base-Backbone interact. energy: -0.793
local terms energy: -280.392755
where:
bonds (distance) C4'-P energy: -44.233
bonds (distance) P-C4' energy: -51.173
flat angles C4'-P-C4' energy: -60.964
flat angles P-C4'-P energy: -47.463
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: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -746.326355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.326355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.326355 (E_RNA)
where:
Base-Base interactions energy: -477.659
where: short stacking energy: -212.013
Base-Backbone interact. energy: -0.664
local terms energy: -268.003259
where:
bonds (distance) C4'-P energy: -48.687
bonds (distance) P-C4' energy: -60.373
flat angles C4'-P-C4' energy: -58.213
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -60.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -674.461065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.461065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.461065 (E_RNA)
where:
Base-Base interactions energy: -436.305
where: short stacking energy: -185.572
Base-Backbone interact. energy: 0.103
local terms energy: -238.258862
where:
bonds (distance) C4'-P energy: -47.135
bonds (distance) P-C4' energy: -60.467
flat angles C4'-P-C4' energy: -51.340
flat angles P-C4'-P energy: -35.351
tors. eta vs tors. theta energy: -43.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -593.623672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.623672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.623672 (E_RNA)
where:
Base-Base interactions energy: -378.765
where: short stacking energy: -141.532
Base-Backbone interact. energy: -1.871
local terms energy: -212.987687
where:
bonds (distance) C4'-P energy: -42.313
bonds (distance) P-C4' energy: -49.683
flat angles C4'-P-C4' energy: -56.412
flat angles P-C4'-P energy: -35.636
tors. eta vs tors. theta energy: -28.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -475.729968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.729968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.729968 (E_RNA)
where:
Base-Base interactions energy: -292.354
where: short stacking energy: -144.233
Base-Backbone interact. energy: -1.886
local terms energy: -181.490576
where:
bonds (distance) C4'-P energy: -38.360
bonds (distance) P-C4' energy: -49.231
flat angles C4'-P-C4' energy: -42.543
flat angles P-C4'-P energy: -27.132
tors. eta vs tors. theta energy: -24.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -273.421480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.421480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.421480 (E_RNA)
where:
Base-Base interactions energy: -116.112
where: short stacking energy: -98.044
Base-Backbone interact. energy: -0.705
local terms energy: -156.605395
where:
bonds (distance) C4'-P energy: -39.141
bonds (distance) P-C4' energy: -43.489
flat angles C4'-P-C4' energy: -37.657
flat angles P-C4'-P energy: -25.876
tors. eta vs tors. theta energy: -10.444
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: 40
Temperature: 1.350000
Total energy: -353.509253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.509253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.509253 (E_RNA)
where:
Base-Base interactions energy: -196.238
where: short stacking energy: -115.184
Base-Backbone interact. energy: -0.480
local terms energy: -156.790791
where:
bonds (distance) C4'-P energy: -37.967
bonds (distance) P-C4' energy: -41.600
flat angles C4'-P-C4' energy: -44.419
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -13.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -956.117179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.117179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.117179 (E_RNA)
where:
Base-Base interactions energy: -648.655
where: short stacking energy: -297.112
Base-Backbone interact. energy: -0.868
local terms energy: -306.594065
where:
bonds (distance) C4'-P energy: -50.644
bonds (distance) P-C4' energy: -66.258
flat angles C4'-P-C4' energy: -65.594
flat angles P-C4'-P energy: -43.614
tors. eta vs tors. theta energy: -80.484
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: 7
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -929.445078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.445078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.445078 (E_RNA)
where:
Base-Base interactions energy: -646.133
where: short stacking energy: -259.744
Base-Backbone interact. energy: 0.760
local terms energy: -284.071865
where:
bonds (distance) C4'-P energy: -53.739
bonds (distance) P-C4' energy: -58.743
flat angles C4'-P-C4' energy: -64.386
flat angles P-C4'-P energy: -34.060
tors. eta vs tors. theta energy: -73.143
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: 6
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -856.143062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.143062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.143062 (E_RNA)
where:
Base-Base interactions energy: -578.427
where: short stacking energy: -255.060
Base-Backbone interact. energy: -1.623
local terms energy: -276.092570
where:
bonds (distance) C4'-P energy: -62.024
bonds (distance) P-C4' energy: -48.344
flat angles C4'-P-C4' energy: -53.082
flat angles P-C4'-P energy: -40.403
tors. eta vs tors. theta energy: -72.240
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: 8
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -757.835314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.835314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.835314 (E_RNA)
where:
Base-Base interactions energy: -527.494
where: short stacking energy: -228.668
Base-Backbone interact. energy: -0.328
local terms energy: -230.013330
where:
bonds (distance) C4'-P energy: -47.343
bonds (distance) P-C4' energy: -52.038
flat angles C4'-P-C4' energy: -46.243
flat angles P-C4'-P energy: -33.301
tors. eta vs tors. theta energy: -51.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -761.231994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.231994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.231994 (E_RNA)
where:
Base-Base interactions energy: -495.605
where: short stacking energy: -227.492
Base-Backbone interact. energy: -1.072
local terms energy: -264.554942
where:
bonds (distance) C4'-P energy: -52.849
bonds (distance) P-C4' energy: -54.355
flat angles C4'-P-C4' energy: -52.643
flat angles P-C4'-P energy: -34.329
tors. eta vs tors. theta energy: -70.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -763.321135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.321135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.321135 (E_RNA)
where:
Base-Base interactions energy: -519.848
where: short stacking energy: -227.962
Base-Backbone interact. energy: 1.989
local terms energy: -245.462321
where:
bonds (distance) C4'-P energy: -52.300
bonds (distance) P-C4' energy: -43.896
flat angles C4'-P-C4' energy: -55.420
flat angles P-C4'-P energy: -35.344
tors. eta vs tors. theta energy: -58.503
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: 5
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -605.608248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.608248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.608248 (E_RNA)
where:
Base-Base interactions energy: -397.030
where: short stacking energy: -153.304
Base-Backbone interact. energy: -1.944
local terms energy: -206.634327
where:
bonds (distance) C4'-P energy: -45.090
bonds (distance) P-C4' energy: -47.212
flat angles C4'-P-C4' energy: -51.020
flat angles P-C4'-P energy: -34.486
tors. eta vs tors. theta energy: -28.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -469.452554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.452554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.452554 (E_RNA)
where:
Base-Base interactions energy: -281.084
where: short stacking energy: -148.631
Base-Backbone interact. energy: -0.681
local terms energy: -187.687309
where:
bonds (distance) C4'-P energy: -50.256
bonds (distance) P-C4' energy: -42.211
flat angles C4'-P-C4' energy: -39.653
flat angles P-C4'-P energy: -35.212
tors. eta vs tors. theta energy: -20.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -267.659188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.659188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.659188 (E_RNA)
where:
Base-Base interactions energy: -90.729
where: short stacking energy: -90.254
Base-Backbone interact. energy: -0.252
local terms energy: -176.678694
where:
bonds (distance) C4'-P energy: -43.014
bonds (distance) P-C4' energy: -56.052
flat angles C4'-P-C4' energy: -39.356
flat angles P-C4'-P energy: -31.697
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -432.335486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.335486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.335486 (E_RNA)
where:
Base-Base interactions energy: -251.847
where: short stacking energy: -108.852
Base-Backbone interact. energy: -0.393
local terms energy: -180.095568
where:
bonds (distance) C4'-P energy: -42.239
bonds (distance) P-C4' energy: -48.241
flat angles C4'-P-C4' energy: -54.443
flat angles P-C4'-P energy: -24.503
tors. eta vs tors. theta energy: -10.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -957.886784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.886784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.886784 (E_RNA)
where:
Base-Base interactions energy: -663.278
where: short stacking energy: -283.648
Base-Backbone interact. energy: 1.966
local terms energy: -296.574579
where:
bonds (distance) C4'-P energy: -49.500
bonds (distance) P-C4' energy: -64.663
flat angles C4'-P-C4' energy: -63.275
flat angles P-C4'-P energy: -45.347
tors. eta vs tors. theta energy: -73.789
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: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -920.031627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.031627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.031627 (E_RNA)
where:
Base-Base interactions energy: -622.802
where: short stacking energy: -264.978
Base-Backbone interact. energy: -1.678
local terms energy: -295.552014
where:
bonds (distance) C4'-P energy: -53.386
bonds (distance) P-C4' energy: -54.038
flat angles C4'-P-C4' energy: -66.600
flat angles P-C4'-P energy: -46.203
tors. eta vs tors. theta energy: -75.326
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: 42
Temperature: 1.000000
Total energy: -851.375868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.375868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.375868 (E_RNA)
where:
Base-Base interactions energy: -578.491
where: short stacking energy: -263.681
Base-Backbone interact. energy: 3.266
local terms energy: -276.150254
where:
bonds (distance) C4'-P energy: -48.519
bonds (distance) P-C4' energy: -56.324
flat angles C4'-P-C4' energy: -63.291
flat angles P-C4'-P energy: -30.359
tors. eta vs tors. theta energy: -77.658
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: 8
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -794.689778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.689778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.689778 (E_RNA)
where:
Base-Base interactions energy: -528.097
where: short stacking energy: -259.791
Base-Backbone interact. energy: 0.998
local terms energy: -267.590973
where:
bonds (distance) C4'-P energy: -39.171
bonds (distance) P-C4' energy: -55.742
flat angles C4'-P-C4' energy: -60.446
flat angles P-C4'-P energy: -36.423
tors. eta vs tors. theta energy: -75.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -768.874428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.874428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.874428 (E_RNA)
where:
Base-Base interactions energy: -518.578
where: short stacking energy: -235.552
Base-Backbone interact. energy: -0.321
local terms energy: -249.976053
where:
bonds (distance) C4'-P energy: -50.922
bonds (distance) P-C4' energy: -58.019
flat angles C4'-P-C4' energy: -49.342
flat angles P-C4'-P energy: -27.763
tors. eta vs tors. theta energy: -63.929
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: 6, replica: 3
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -680.063123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.063123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.063123 (E_RNA)
where:
Base-Base interactions energy: -438.325
where: short stacking energy: -212.401
Base-Backbone interact. energy: 0.622
local terms energy: -242.359757
where:
bonds (distance) C4'-P energy: -51.267
bonds (distance) P-C4' energy: -52.360
flat angles C4'-P-C4' energy: -46.845
flat angles P-C4'-P energy: -36.531
tors. eta vs tors. theta energy: -55.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -621.281749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.281749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.281749 (E_RNA)
where:
Base-Base interactions energy: -397.894
where: short stacking energy: -175.338
Base-Backbone interact. energy: 0.835
local terms energy: -224.222210
where:
bonds (distance) C4'-P energy: -47.069
bonds (distance) P-C4' energy: -43.529
flat angles C4'-P-C4' energy: -58.417
flat angles P-C4'-P energy: -31.911
tors. eta vs tors. theta energy: -43.295
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: 1
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -497.868750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.868750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.868750 (E_RNA)
where:
Base-Base interactions energy: -274.570
where: short stacking energy: -142.750
Base-Backbone interact. energy: -0.662
local terms energy: -222.636064
where:
bonds (distance) C4'-P energy: -54.523
bonds (distance) P-C4' energy: -49.307
flat angles C4'-P-C4' energy: -48.974
flat angles P-C4'-P energy: -36.932
tors. eta vs tors. theta energy: -32.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -436.627460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.627460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.627460 (E_RNA)
where:
Base-Base interactions energy: -244.838
where: short stacking energy: -120.499
Base-Backbone interact. energy: -1.417
local terms energy: -190.372118
where:
bonds (distance) C4'-P energy: -38.091
bonds (distance) P-C4' energy: -55.445
flat angles C4'-P-C4' energy: -54.228
flat angles P-C4'-P energy: -33.256
tors. eta vs tors. theta energy: -9.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -243.542399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.542399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.542399 (E_RNA)
where:
Base-Base interactions energy: -83.222
where: short stacking energy: -71.785
Base-Backbone interact. energy: -1.047
local terms energy: -159.273228
where:
bonds (distance) C4'-P energy: -48.200
bonds (distance) P-C4' energy: -51.818
flat angles C4'-P-C4' energy: -36.511
flat angles P-C4'-P energy: -30.205
tors. eta vs tors. theta energy: 7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -941.747268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.747268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.747268 (E_RNA)
where:
Base-Base interactions energy: -654.317
where: short stacking energy: -273.810
Base-Backbone interact. energy: 1.076
local terms energy: -288.506603
where:
bonds (distance) C4'-P energy: -54.051
bonds (distance) P-C4' energy: -55.332
flat angles C4'-P-C4' energy: -62.742
flat angles P-C4'-P energy: -42.329
tors. eta vs tors. theta energy: -74.052
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: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -905.769198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.769198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.769198 (E_RNA)
where:
Base-Base interactions energy: -613.177
where: short stacking energy: -276.978
Base-Backbone interact. energy: -1.516
local terms energy: -291.076807
where:
bonds (distance) C4'-P energy: -54.647
bonds (distance) P-C4' energy: -61.536
flat angles C4'-P-C4' energy: -59.916
flat angles P-C4'-P energy: -32.576
tors. eta vs tors. theta energy: -82.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -922.673439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.673439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.673439 (E_RNA)
where:
Base-Base interactions energy: -635.980
where: short stacking energy: -254.849
Base-Backbone interact. energy: -1.225
local terms energy: -285.467972
where:
bonds (distance) C4'-P energy: -57.947
bonds (distance) P-C4' energy: -48.839
flat angles C4'-P-C4' energy: -66.153
flat angles P-C4'-P energy: -44.754
tors. eta vs tors. theta energy: -67.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -810.081017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.081017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.081017 (E_RNA)
where:
Base-Base interactions energy: -551.149
where: short stacking energy: -241.170
Base-Backbone interact. energy: -0.925
local terms energy: -258.007346
where:
bonds (distance) C4'-P energy: -46.977
bonds (distance) P-C4' energy: -47.021
flat angles C4'-P-C4' energy: -60.613
flat angles P-C4'-P energy: -41.485
tors. eta vs tors. theta energy: -61.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -789.782516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.782516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.782516 (E_RNA)
where:
Base-Base interactions energy: -516.805
where: short stacking energy: -237.471
Base-Backbone interact. energy: -1.013
local terms energy: -271.965358
where:
bonds (distance) C4'-P energy: -50.249
bonds (distance) P-C4' energy: -57.343
flat angles C4'-P-C4' energy: -56.215
flat angles P-C4'-P energy: -40.721
tors. eta vs tors. theta energy: -67.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -684.204079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.204079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.204079 (E_RNA)
where:
Base-Base interactions energy: -451.140
where: short stacking energy: -217.251
Base-Backbone interact. energy: -1.407
local terms energy: -231.657246
where:
bonds (distance) C4'-P energy: -49.478
bonds (distance) P-C4' energy: -37.216
flat angles C4'-P-C4' energy: -61.678
flat angles P-C4'-P energy: -31.120
tors. eta vs tors. theta energy: -52.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -631.595382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.595382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.595382 (E_RNA)
where:
Base-Base interactions energy: -392.434
where: short stacking energy: -194.109
Base-Backbone interact. energy: -1.985
local terms energy: -237.176547
where:
bonds (distance) C4'-P energy: -52.946
bonds (distance) P-C4' energy: -54.892
flat angles C4'-P-C4' energy: -57.886
flat angles P-C4'-P energy: -29.484
tors. eta vs tors. theta energy: -41.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -551.228323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.228323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.228323 (E_RNA)
where:
Base-Base interactions energy: -358.914
where: short stacking energy: -146.531
Base-Backbone interact. energy: -1.351
local terms energy: -190.963396
where:
bonds (distance) C4'-P energy: -46.689
bonds (distance) P-C4' energy: -54.191
flat angles C4'-P-C4' energy: -45.508
flat angles P-C4'-P energy: -24.949
tors. eta vs tors. theta energy: -19.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -456.157747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.157747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.157747 (E_RNA)
where:
Base-Base interactions energy: -267.793
where: short stacking energy: -127.491
Base-Backbone interact. energy: -0.683
local terms energy: -187.681893
where:
bonds (distance) C4'-P energy: -47.097
bonds (distance) P-C4' energy: -48.274
flat angles C4'-P-C4' energy: -34.809
flat angles P-C4'-P energy: -32.845
tors. eta vs tors. theta energy: -24.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -245.245797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.245797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.245797 (E_RNA)
where:
Base-Base interactions energy: -102.330
where: short stacking energy: -78.281
Base-Backbone interact. energy: -0.738
local terms energy: -142.178598
where:
bonds (distance) C4'-P energy: -49.608
bonds (distance) P-C4' energy: -41.010
flat angles C4'-P-C4' energy: -44.007
flat angles P-C4'-P energy: -19.798
tors. eta vs tors. theta energy: 12.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -955.426430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.426430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.426430 (E_RNA)
where:
Base-Base interactions energy: -664.179
where: short stacking energy: -280.431
Base-Backbone interact. energy: -1.859
local terms energy: -289.387860
where:
bonds (distance) C4'-P energy: -51.648
bonds (distance) P-C4' energy: -62.644
flat angles C4'-P-C4' energy: -56.419
flat angles P-C4'-P energy: -38.752
tors. eta vs tors. theta energy: -79.925
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: 44
Temperature: 0.950000
Total energy: -916.502978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.502978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.502978 (E_RNA)
where:
Base-Base interactions energy: -626.540
where: short stacking energy: -279.951
Base-Backbone interact. energy: -1.439
local terms energy: -288.524218
where:
bonds (distance) C4'-P energy: -50.492
bonds (distance) P-C4' energy: -53.435
flat angles C4'-P-C4' energy: -62.870
flat angles P-C4'-P energy: -43.430
tors. eta vs tors. theta energy: -78.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -901.743327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.743327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.743327 (E_RNA)
where:
Base-Base interactions energy: -634.944
where: short stacking energy: -285.060
Base-Backbone interact. energy: -1.510
local terms energy: -265.289192
where:
bonds (distance) C4'-P energy: -49.537
bonds (distance) P-C4' energy: -55.785
flat angles C4'-P-C4' energy: -55.167
flat angles P-C4'-P energy: -30.674
tors. eta vs tors. theta energy: -74.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -822.688649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.688649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.688649 (E_RNA)
where:
Base-Base interactions energy: -555.853
where: short stacking energy: -249.547
Base-Backbone interact. energy: -1.032
local terms energy: -265.804460
where:
bonds (distance) C4'-P energy: -50.175
bonds (distance) P-C4' energy: -59.602
flat angles C4'-P-C4' energy: -58.292
flat angles P-C4'-P energy: -24.585
tors. eta vs tors. theta energy: -73.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -768.037241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.037241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.037241 (E_RNA)
where:
Base-Base interactions energy: -520.141
where: short stacking energy: -247.741
Base-Backbone interact. energy: -1.205
local terms energy: -246.691187
where:
bonds (distance) C4'-P energy: -52.004
bonds (distance) P-C4' energy: -47.351
flat angles C4'-P-C4' energy: -50.992
flat angles P-C4'-P energy: -32.839
tors. eta vs tors. theta energy: -63.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -734.774044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.774044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.774044 (E_RNA)
where:
Base-Base interactions energy: -472.928
where: short stacking energy: -224.528
Base-Backbone interact. energy: -2.593
local terms energy: -259.253298
where:
bonds (distance) C4'-P energy: -53.744
bonds (distance) P-C4' energy: -43.677
flat angles C4'-P-C4' energy: -57.469
flat angles P-C4'-P energy: -40.296
tors. eta vs tors. theta energy: -64.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -649.956465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.956465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.956465 (E_RNA)
where:
Base-Base interactions energy: -407.571
where: short stacking energy: -190.608
Base-Backbone interact. energy: -1.112
local terms energy: -241.274216
where:
bonds (distance) C4'-P energy: -45.039
bonds (distance) P-C4' energy: -44.135
flat angles C4'-P-C4' energy: -53.567
flat angles P-C4'-P energy: -41.483
tors. eta vs tors. theta energy: -57.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -523.832245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.832245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.832245 (E_RNA)
where:
Base-Base interactions energy: -324.362
where: short stacking energy: -160.688
Base-Backbone interact. energy: -1.851
local terms energy: -197.619325
where:
bonds (distance) C4'-P energy: -45.393
bonds (distance) P-C4' energy: -51.103
flat angles C4'-P-C4' energy: -32.788
flat angles P-C4'-P energy: -34.504
tors. eta vs tors. theta energy: -33.832
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: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -449.138163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.138163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.138163 (E_RNA)
where:
Base-Base interactions energy: -269.552
where: short stacking energy: -141.103
Base-Backbone interact. energy: -0.688
local terms energy: -178.898805
where:
bonds (distance) C4'-P energy: -45.919
bonds (distance) P-C4' energy: -46.006
flat angles C4'-P-C4' energy: -46.471
flat angles P-C4'-P energy: -24.045
tors. eta vs tors. theta energy: -16.458
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: 9
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -261.635229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.635229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.635229 (E_RNA)
where:
Base-Base interactions energy: -114.081
where: short stacking energy: -104.219
Base-Backbone interact. energy: 1.147
local terms energy: -148.701392
where:
bonds (distance) C4'-P energy: -40.212
bonds (distance) P-C4' energy: -46.436
flat angles C4'-P-C4' energy: -34.467
flat angles P-C4'-P energy: -22.947
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -969.003222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.003222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.003222 (E_RNA)
where:
Base-Base interactions energy: -674.488
where: short stacking energy: -284.391
Base-Backbone interact. energy: -0.936
local terms energy: -293.579290
where:
bonds (distance) C4'-P energy: -55.642
bonds (distance) P-C4' energy: -63.230
flat angles C4'-P-C4' energy: -57.114
flat angles P-C4'-P energy: -33.638
tors. eta vs tors. theta energy: -83.954
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: 6
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -910.693492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.693492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.693492 (E_RNA)
where:
Base-Base interactions energy: -621.978
where: short stacking energy: -275.806
Base-Backbone interact. energy: -1.087
local terms energy: -287.628805
where:
bonds (distance) C4'-P energy: -53.211
bonds (distance) P-C4' energy: -54.106
flat angles C4'-P-C4' energy: -55.557
flat angles P-C4'-P energy: -44.648
tors. eta vs tors. theta energy: -80.107
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: 7
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -944.331087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.331087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.331087 (E_RNA)
where:
Base-Base interactions energy: -660.588
where: short stacking energy: -268.345
Base-Backbone interact. energy: 0.024
local terms energy: -283.766553
where:
bonds (distance) C4'-P energy: -50.533
bonds (distance) P-C4' energy: -54.449
flat angles C4'-P-C4' energy: -59.749
flat angles P-C4'-P energy: -41.540
tors. eta vs tors. theta energy: -77.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -830.948814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.948814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.948814 (E_RNA)
where:
Base-Base interactions energy: -560.789
where: short stacking energy: -257.823
Base-Backbone interact. energy: -0.934
local terms energy: -269.225584
where:
bonds (distance) C4'-P energy: -50.891
bonds (distance) P-C4' energy: -46.253
flat angles C4'-P-C4' energy: -60.915
flat angles P-C4'-P energy: -39.463
tors. eta vs tors. theta energy: -71.703
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: 8
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -784.475011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.475011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.475011 (E_RNA)
where:
Base-Base interactions energy: -520.836
where: short stacking energy: -231.415
Base-Backbone interact. energy: -2.335
local terms energy: -261.303406
where:
bonds (distance) C4'-P energy: -52.797
bonds (distance) P-C4' energy: -60.077
flat angles C4'-P-C4' energy: -50.750
flat angles P-C4'-P energy: -34.211
tors. eta vs tors. theta energy: -63.469
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: 45
Temperature: 1.150000
Total energy: -732.233197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.233197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.233197 (E_RNA)
where:
Base-Base interactions energy: -478.628
where: short stacking energy: -226.341
Base-Backbone interact. energy: -0.402
local terms energy: -253.203585
where:
bonds (distance) C4'-P energy: -47.907
bonds (distance) P-C4' energy: -57.589
flat angles C4'-P-C4' energy: -51.166
flat angles P-C4'-P energy: -38.065
tors. eta vs tors. theta energy: -58.477
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: 45
Temperature: 1.200000
Total energy: -630.786038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.786038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.786038 (E_RNA)
where:
Base-Base interactions energy: -383.942
where: short stacking energy: -192.617
Base-Backbone interact. energy: 0.087
local terms energy: -246.931051
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -59.520
flat angles C4'-P-C4' energy: -49.561
flat angles P-C4'-P energy: -31.805
tors. eta vs tors. theta energy: -54.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -520.320419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.320419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.320419 (E_RNA)
where:
Base-Base interactions energy: -328.085
where: short stacking energy: -147.665
Base-Backbone interact. energy: 0.301
local terms energy: -192.536633
where:
bonds (distance) C4'-P energy: -51.006
bonds (distance) P-C4' energy: -46.759
flat angles C4'-P-C4' energy: -39.949
flat angles P-C4'-P energy: -34.118
tors. eta vs tors. theta energy: -20.704
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: 45
Temperature: 1.300000
Total energy: -447.522378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.522378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.522378 (E_RNA)
where:
Base-Base interactions energy: -253.188
where: short stacking energy: -116.959
Base-Backbone interact. energy: -0.747
local terms energy: -193.587305
where:
bonds (distance) C4'-P energy: -51.407
bonds (distance) P-C4' energy: -54.497
flat angles C4'-P-C4' energy: -42.183
flat angles P-C4'-P energy: -29.829
tors. eta vs tors. theta energy: -15.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -249.272424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.272424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.272424 (E_RNA)
where:
Base-Base interactions energy: -97.202
where: short stacking energy: -71.021
Base-Backbone interact. energy: -0.684
local terms energy: -151.386622
where:
bonds (distance) C4'-P energy: -46.183
bonds (distance) P-C4' energy: -41.272
flat angles C4'-P-C4' energy: -42.654
flat angles P-C4'-P energy: -30.163
tors. eta vs tors. theta energy: 8.886
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: 1, replica: 2
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -958.768360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.768360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.768360 (E_RNA)
where:
Base-Base interactions energy: -665.506
where: short stacking energy: -268.344
Base-Backbone interact. energy: -0.853
local terms energy: -292.409597
where:
bonds (distance) C4'-P energy: -53.239
bonds (distance) P-C4' energy: -50.699
flat angles C4'-P-C4' energy: -65.981
flat angles P-C4'-P energy: -43.363
tors. eta vs tors. theta energy: -79.128
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: 6
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -923.512824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.512824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.512824 (E_RNA)
where:
Base-Base interactions energy: -626.001
where: short stacking energy: -269.872
Base-Backbone interact. energy: -1.688
local terms energy: -295.823730
where:
bonds (distance) C4'-P energy: -52.489
bonds (distance) P-C4' energy: -63.440
flat angles C4'-P-C4' energy: -69.634
flat angles P-C4'-P energy: -32.300
tors. eta vs tors. theta energy: -77.960
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: 3, replica: 7
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -926.950547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.950547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.950547 (E_RNA)
where:
Base-Base interactions energy: -645.928
where: short stacking energy: -271.624
Base-Backbone interact. energy: -2.374
local terms energy: -278.648046
where:
bonds (distance) C4'-P energy: -53.811
bonds (distance) P-C4' energy: -50.784
flat angles C4'-P-C4' energy: -61.486
flat angles P-C4'-P energy: -30.814
tors. eta vs tors. theta energy: -81.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -819.356507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.356507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.356507 (E_RNA)
where:
Base-Base interactions energy: -567.611
where: short stacking energy: -247.522
Base-Backbone interact. energy: -1.493
local terms energy: -250.252978
where:
bonds (distance) C4'-P energy: -48.381
bonds (distance) P-C4' energy: -48.370
flat angles C4'-P-C4' energy: -52.057
flat angles P-C4'-P energy: -32.386
tors. eta vs tors. theta energy: -69.060
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: 5, replica: 8
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -769.747609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.747609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.747609 (E_RNA)
where:
Base-Base interactions energy: -514.240
where: short stacking energy: -234.646
Base-Backbone interact. energy: -0.382
local terms energy: -255.126013
where:
bonds (distance) C4'-P energy: -52.440
bonds (distance) P-C4' energy: -57.777
flat angles C4'-P-C4' energy: -54.563
flat angles P-C4'-P energy: -28.679
tors. eta vs tors. theta energy: -61.668
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: 46
Temperature: 1.150000
Total energy: -714.612310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.612310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.612310 (E_RNA)
where:
Base-Base interactions energy: -468.582
where: short stacking energy: -214.281
Base-Backbone interact. energy: -0.865
local terms energy: -245.165276
where:
bonds (distance) C4'-P energy: -42.331
bonds (distance) P-C4' energy: -61.391
flat angles C4'-P-C4' energy: -50.712
flat angles P-C4'-P energy: -29.070
tors. eta vs tors. theta energy: -61.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -594.870800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.870800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.870800 (E_RNA)
where:
Base-Base interactions energy: -364.637
where: short stacking energy: -176.779
Base-Backbone interact. energy: -1.238
local terms energy: -228.996152
where:
bonds (distance) C4'-P energy: -44.766
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -47.977
flat angles P-C4'-P energy: -36.489
tors. eta vs tors. theta energy: -46.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -504.087343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.087343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.087343 (E_RNA)
where:
Base-Base interactions energy: -308.692
where: short stacking energy: -155.370
Base-Backbone interact. energy: 0.692
local terms energy: -196.087208
where:
bonds (distance) C4'-P energy: -43.458
bonds (distance) P-C4' energy: -43.919
flat angles C4'-P-C4' energy: -47.553
flat angles P-C4'-P energy: -32.961
tors. eta vs tors. theta energy: -28.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -467.085513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.085513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.085513 (E_RNA)
where:
Base-Base interactions energy: -274.206
where: short stacking energy: -140.295
Base-Backbone interact. energy: -0.744
local terms energy: -192.134962
where:
bonds (distance) C4'-P energy: -35.617
bonds (distance) P-C4' energy: -48.828
flat angles C4'-P-C4' energy: -36.208
flat angles P-C4'-P energy: -40.480
tors. eta vs tors. theta energy: -31.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -265.299097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.299097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.299097 (E_RNA)
where:
Base-Base interactions energy: -83.822
where: short stacking energy: -65.767
Base-Backbone interact. energy: -1.239
local terms energy: -180.237659
where:
bonds (distance) C4'-P energy: -46.089
bonds (distance) P-C4' energy: -50.009
flat angles C4'-P-C4' energy: -54.243
flat angles P-C4'-P energy: -35.939
tors. eta vs tors. theta energy: 6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -965.900551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.900551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.900551 (E_RNA)
where:
Base-Base interactions energy: -676.991
where: short stacking energy: -282.585
Base-Backbone interact. energy: 2.788
local terms energy: -291.698035
where:
bonds (distance) C4'-P energy: -52.759
bonds (distance) P-C4' energy: -57.629
flat angles C4'-P-C4' energy: -62.846
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -78.944
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: 47
Temperature: 0.950000
Total energy: -931.763180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.763180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.763180 (E_RNA)
where:
Base-Base interactions energy: -640.987
where: short stacking energy: -285.313
Base-Backbone interact. energy: -0.232
local terms energy: -290.543709
where:
bonds (distance) C4'-P energy: -52.032
bonds (distance) P-C4' energy: -58.667
flat angles C4'-P-C4' energy: -58.872
flat angles P-C4'-P energy: -40.574
tors. eta vs tors. theta energy: -80.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -925.399086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.399086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.399086 (E_RNA)
where:
Base-Base interactions energy: -643.717
where: short stacking energy: -268.465
Base-Backbone interact. energy: -1.827
local terms energy: -279.855976
where:
bonds (distance) C4'-P energy: -48.663
bonds (distance) P-C4' energy: -55.812
flat angles C4'-P-C4' energy: -64.211
flat angles P-C4'-P energy: -34.425
tors. eta vs tors. theta energy: -76.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -825.125685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.125685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.125685 (E_RNA)
where:
Base-Base interactions energy: -551.728
where: short stacking energy: -258.574
Base-Backbone interact. energy: -0.623
local terms energy: -272.775065
where:
bonds (distance) C4'-P energy: -48.543
bonds (distance) P-C4' energy: -58.671
flat angles C4'-P-C4' energy: -60.739
flat angles P-C4'-P energy: -35.299
tors. eta vs tors. theta energy: -69.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -814.729948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.729948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.729948 (E_RNA)
where:
Base-Base interactions energy: -552.284
where: short stacking energy: -238.022
Base-Backbone interact. energy: -0.170
local terms energy: -262.275589
where:
bonds (distance) C4'-P energy: -52.919
bonds (distance) P-C4' energy: -56.727
flat angles C4'-P-C4' energy: -51.707
flat angles P-C4'-P energy: -33.690
tors. eta vs tors. theta energy: -67.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -702.138662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.138662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.138662 (E_RNA)
where:
Base-Base interactions energy: -448.980
where: short stacking energy: -201.022
Base-Backbone interact. energy: -2.054
local terms energy: -251.104336
where:
bonds (distance) C4'-P energy: -45.759
bonds (distance) P-C4' energy: -52.175
flat angles C4'-P-C4' energy: -62.238
flat angles P-C4'-P energy: -45.091
tors. eta vs tors. theta energy: -45.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -576.489899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.489899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.489899 (E_RNA)
where:
Base-Base interactions energy: -350.097
where: short stacking energy: -192.934
Base-Backbone interact. energy: -0.997
local terms energy: -225.395679
where:
bonds (distance) C4'-P energy: -45.222
bonds (distance) P-C4' energy: -47.420
flat angles C4'-P-C4' energy: -50.797
flat angles P-C4'-P energy: -35.864
tors. eta vs tors. theta energy: -46.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -497.500282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.500282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.500282 (E_RNA)
where:
Base-Base interactions energy: -309.436
where: short stacking energy: -144.928
Base-Backbone interact. energy: -0.569
local terms energy: -187.495547
where:
bonds (distance) C4'-P energy: -49.846
bonds (distance) P-C4' energy: -54.259
flat angles C4'-P-C4' energy: -40.442
flat angles P-C4'-P energy: -21.499
tors. eta vs tors. theta energy: -21.450
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: 10
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -468.760535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.760535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.760535 (E_RNA)
where:
Base-Base interactions energy: -281.082
where: short stacking energy: -131.962
Base-Backbone interact. energy: -0.893
local terms energy: -186.785642
where:
bonds (distance) C4'-P energy: -49.421
bonds (distance) P-C4' energy: -44.862
flat angles C4'-P-C4' energy: -36.072
flat angles P-C4'-P energy: -31.875
tors. eta vs tors. theta energy: -24.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -237.875150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.875150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.875150 (E_RNA)
where:
Base-Base interactions energy: -82.994
where: short stacking energy: -70.462
Base-Backbone interact. energy: -1.125
local terms energy: -153.756562
where:
bonds (distance) C4'-P energy: -42.210
bonds (distance) P-C4' energy: -49.070
flat angles C4'-P-C4' energy: -40.150
flat angles P-C4'-P energy: -21.007
tors. eta vs tors. theta energy: -1.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -941.952620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.952620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.952620 (E_RNA)
where:
Base-Base interactions energy: -649.530
where: short stacking energy: -266.996
Base-Backbone interact. energy: -1.987
local terms energy: -290.436096
where:
bonds (distance) C4'-P energy: -62.215
bonds (distance) P-C4' energy: -62.043
flat angles C4'-P-C4' energy: -52.216
flat angles P-C4'-P energy: -36.264
tors. eta vs tors. theta energy: -77.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -930.347263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.347263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.347263 (E_RNA)
where:
Base-Base interactions energy: -631.145
where: short stacking energy: -275.053
Base-Backbone interact. energy: -2.093
local terms energy: -297.110132
where:
bonds (distance) C4'-P energy: -57.168
bonds (distance) P-C4' energy: -55.148
flat angles C4'-P-C4' energy: -64.814
flat angles P-C4'-P energy: -40.324
tors. eta vs tors. theta energy: -79.657
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: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -933.797535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.797535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.797535 (E_RNA)
where:
Base-Base interactions energy: -630.189
where: short stacking energy: -266.946
Base-Backbone interact. energy: -3.762
local terms energy: -299.846993
where:
bonds (distance) C4'-P energy: -57.113
bonds (distance) P-C4' energy: -51.415
flat angles C4'-P-C4' energy: -64.483
flat angles P-C4'-P energy: -49.973
tors. eta vs tors. theta energy: -76.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -820.705225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.705225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.705225 (E_RNA)
where:
Base-Base interactions energy: -534.297
where: short stacking energy: -266.552
Base-Backbone interact. energy: -0.675
local terms energy: -285.732810
where:
bonds (distance) C4'-P energy: -49.324
bonds (distance) P-C4' energy: -59.049
flat angles C4'-P-C4' energy: -63.064
flat angles P-C4'-P energy: -37.494
tors. eta vs tors. theta energy: -76.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -816.336613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.336613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.336613 (E_RNA)
where:
Base-Base interactions energy: -553.494
where: short stacking energy: -233.538
Base-Backbone interact. energy: -0.635
local terms energy: -262.207599
where:
bonds (distance) C4'-P energy: -48.800
bonds (distance) P-C4' energy: -54.172
flat angles C4'-P-C4' energy: -52.663
flat angles P-C4'-P energy: -36.629
tors. eta vs tors. theta energy: -69.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -698.321987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.321987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.321987 (E_RNA)
where:
Base-Base interactions energy: -464.074
where: short stacking energy: -211.512
Base-Backbone interact. energy: -0.686
local terms energy: -233.562617
where:
bonds (distance) C4'-P energy: -44.480
bonds (distance) P-C4' energy: -51.201
flat angles C4'-P-C4' energy: -52.431
flat angles P-C4'-P energy: -23.930
tors. eta vs tors. theta energy: -61.521
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: 3
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -574.403564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.403564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.403564 (E_RNA)
where:
Base-Base interactions energy: -342.407
where: short stacking energy: -169.735
Base-Backbone interact. energy: -1.508
local terms energy: -230.488528
where:
bonds (distance) C4'-P energy: -53.170
bonds (distance) P-C4' energy: -56.209
flat angles C4'-P-C4' energy: -51.973
flat angles P-C4'-P energy: -38.028
tors. eta vs tors. theta energy: -31.109
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: 8, replica: 1
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -464.275507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.275507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.275507 (E_RNA)
where:
Base-Base interactions energy: -270.125
where: short stacking energy: -154.873
Base-Backbone interact. energy: -0.780
local terms energy: -193.371341
where:
bonds (distance) C4'-P energy: -53.467
bonds (distance) P-C4' energy: -56.842
flat angles C4'-P-C4' energy: -36.110
flat angles P-C4'-P energy: -25.901
tors. eta vs tors. theta energy: -21.051
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: 10
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -474.156915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.156915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.156915 (E_RNA)
where:
Base-Base interactions energy: -281.466
where: short stacking energy: -140.516
Base-Backbone interact. energy: -1.389
local terms energy: -191.302024
where:
bonds (distance) C4'-P energy: -42.847
bonds (distance) P-C4' energy: -46.788
flat angles C4'-P-C4' energy: -50.678
flat angles P-C4'-P energy: -28.670
tors. eta vs tors. theta energy: -22.319
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: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -256.265843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.265843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.265843 (E_RNA)
where:
Base-Base interactions energy: -87.166
where: short stacking energy: -78.266
Base-Backbone interact. energy: -1.099
local terms energy: -168.000289
where:
bonds (distance) C4'-P energy: -50.182
bonds (distance) P-C4' energy: -45.885
flat angles C4'-P-C4' energy: -45.600
flat angles P-C4'-P energy: -39.056
tors. eta vs tors. theta energy: 12.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -949.208901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.208901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.208901 (E_RNA)
where:
Base-Base interactions energy: -660.973
where: short stacking energy: -271.863
Base-Backbone interact. energy: -2.421
local terms energy: -285.815027
where:
bonds (distance) C4'-P energy: -52.291
bonds (distance) P-C4' energy: -52.540
flat angles C4'-P-C4' energy: -60.269
flat angles P-C4'-P energy: -42.808
tors. eta vs tors. theta energy: -77.907
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: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -936.099852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.099852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.099852 (E_RNA)
where:
Base-Base interactions energy: -651.144
where: short stacking energy: -261.616
Base-Backbone interact. energy: -1.349
local terms energy: -283.606253
where:
bonds (distance) C4'-P energy: -55.092
bonds (distance) P-C4' energy: -54.695
flat angles C4'-P-C4' energy: -60.753
flat angles P-C4'-P energy: -42.019
tors. eta vs tors. theta energy: -71.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -909.955733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.955733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.955733 (E_RNA)
where:
Base-Base interactions energy: -634.244
where: short stacking energy: -270.026
Base-Backbone interact. energy: -0.915
local terms energy: -274.796347
where:
bonds (distance) C4'-P energy: -54.087
bonds (distance) P-C4' energy: -47.562
flat angles C4'-P-C4' energy: -61.777
flat angles P-C4'-P energy: -31.785
tors. eta vs tors. theta energy: -79.587
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: 4, replica: 4
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -861.120420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.120420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.120420 (E_RNA)
where:
Base-Base interactions energy: -589.783
where: short stacking energy: -266.482
Base-Backbone interact. energy: -0.629
local terms energy: -270.707644
where:
bonds (distance) C4'-P energy: -53.484
bonds (distance) P-C4' energy: -53.259
flat angles C4'-P-C4' energy: -51.604
flat angles P-C4'-P energy: -43.107
tors. eta vs tors. theta energy: -69.254
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: 8
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -803.869589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.869589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.869589 (E_RNA)
where:
Base-Base interactions energy: -532.910
where: short stacking energy: -254.965
Base-Backbone interact. energy: -0.018
local terms energy: -270.941193
where:
bonds (distance) C4'-P energy: -61.777
bonds (distance) P-C4' energy: -47.288
flat angles C4'-P-C4' energy: -53.773
flat angles P-C4'-P energy: -39.482
tors. eta vs tors. theta energy: -68.621
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: 49
Temperature: 1.150000
Total energy: -737.563088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.563088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.563088 (E_RNA)
where:
Base-Base interactions energy: -493.032
where: short stacking energy: -225.659
Base-Backbone interact. energy: -2.536
local terms energy: -241.995172
where:
bonds (distance) C4'-P energy: -39.053
bonds (distance) P-C4' energy: -42.220
flat angles C4'-P-C4' energy: -54.723
flat angles P-C4'-P energy: -41.693
tors. eta vs tors. theta energy: -64.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -598.601440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.601440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.601440 (E_RNA)
where:
Base-Base interactions energy: -390.779
where: short stacking energy: -194.830
Base-Backbone interact. energy: -1.468
local terms energy: -206.353932
where:
bonds (distance) C4'-P energy: -39.666
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -50.390
flat angles P-C4'-P energy: -29.612
tors. eta vs tors. theta energy: -42.361
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: 49
Temperature: 1.250000
Total energy: -465.447703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.447703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.447703 (E_RNA)
where:
Base-Base interactions energy: -275.672
where: short stacking energy: -120.853
Base-Backbone interact. energy: -0.848
local terms energy: -188.927650
where:
bonds (distance) C4'-P energy: -56.398
bonds (distance) P-C4' energy: -41.181
flat angles C4'-P-C4' energy: -39.223
flat angles P-C4'-P energy: -33.489
tors. eta vs tors. theta energy: -18.637
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: 49
Temperature: 1.300000
Total energy: -424.856601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.856601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.856601 (E_RNA)
where:
Base-Base interactions energy: -244.522
where: short stacking energy: -119.340
Base-Backbone interact. energy: -1.369
local terms energy: -178.965183
where:
bonds (distance) C4'-P energy: -50.321
bonds (distance) P-C4' energy: -41.986
flat angles C4'-P-C4' energy: -46.982
flat angles P-C4'-P energy: -27.402
tors. eta vs tors. theta energy: -12.274
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: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -258.580627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.580627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.580627 (E_RNA)
where:
Base-Base interactions energy: -99.263
where: short stacking energy: -90.046
Base-Backbone interact. energy: -1.003
local terms energy: -158.314781
where:
bonds (distance) C4'-P energy: -40.051
bonds (distance) P-C4' energy: -52.738
flat angles C4'-P-C4' energy: -31.108
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -5.434
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: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -971.039703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.039703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.039703 (E_RNA)
where:
Base-Base interactions energy: -676.308
where: short stacking energy: -275.818
Base-Backbone interact. energy: -1.632
local terms energy: -293.099886
where:
bonds (distance) C4'-P energy: -55.870
bonds (distance) P-C4' energy: -59.545
flat angles C4'-P-C4' energy: -64.177
flat angles P-C4'-P energy: -45.386
tors. eta vs tors. theta energy: -68.121
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: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -951.198146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.198146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.198146 (E_RNA)
where:
Base-Base interactions energy: -661.203
where: short stacking energy: -285.743
Base-Backbone interact. energy: -2.886
local terms energy: -287.109123
where:
bonds (distance) C4'-P energy: -49.984
bonds (distance) P-C4' energy: -57.574
flat angles C4'-P-C4' energy: -60.716
flat angles P-C4'-P energy: -40.187
tors. eta vs tors. theta energy: -78.648
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: 50
Temperature: 1.000000
Total energy: -919.406423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.406423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.406423 (E_RNA)
where:
Base-Base interactions energy: -626.836
where: short stacking energy: -273.106
Base-Backbone interact. energy: -1.056
local terms energy: -291.514982
where:
bonds (distance) C4'-P energy: -51.260
bonds (distance) P-C4' energy: -58.489
flat angles C4'-P-C4' energy: -66.347
flat angles P-C4'-P energy: -39.145
tors. eta vs tors. theta energy: -76.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -855.390471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.390471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.390471 (E_RNA)
where:
Base-Base interactions energy: -583.524
where: short stacking energy: -244.062
Base-Backbone interact. energy: -0.896
local terms energy: -270.970998
where:
bonds (distance) C4'-P energy: -53.166
bonds (distance) P-C4' energy: -45.907
flat angles C4'-P-C4' energy: -58.241
flat angles P-C4'-P energy: -36.172
tors. eta vs tors. theta energy: -77.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -804.157381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.157381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.157381 (E_RNA)
where:
Base-Base interactions energy: -541.227
where: short stacking energy: -247.995
Base-Backbone interact. energy: -0.478
local terms energy: -262.453189
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -49.036
flat angles C4'-P-C4' energy: -61.084
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: -77.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -695.015348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.015348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.015348 (E_RNA)
where:
Base-Base interactions energy: -456.818
where: short stacking energy: -207.230
Base-Backbone interact. energy: -1.238
local terms energy: -236.959574
where:
bonds (distance) C4'-P energy: -50.054
bonds (distance) P-C4' energy: -46.166
flat angles C4'-P-C4' energy: -53.854
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -50.057
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: 3
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -594.716778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.716778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.716778 (E_RNA)
where:
Base-Base interactions energy: -395.559
where: short stacking energy: -190.012
Base-Backbone interact. energy: 0.234
local terms energy: -199.391904
where:
bonds (distance) C4'-P energy: -34.954
bonds (distance) P-C4' energy: -46.041
flat angles C4'-P-C4' energy: -51.035
flat angles P-C4'-P energy: -23.180
tors. eta vs tors. theta energy: -44.182
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: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -492.803234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.803234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.803234 (E_RNA)
where:
Base-Base interactions energy: -286.408
where: short stacking energy: -156.253
Base-Backbone interact. energy: -0.814
local terms energy: -205.581094
where:
bonds (distance) C4'-P energy: -47.320
bonds (distance) P-C4' energy: -50.366
flat angles C4'-P-C4' energy: -45.431
flat angles P-C4'-P energy: -27.747
tors. eta vs tors. theta energy: -34.717
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: 1
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -450.847314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.847314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.847314 (E_RNA)
where:
Base-Base interactions energy: -268.030
where: short stacking energy: -131.031
Base-Backbone interact. energy: 2.226
local terms energy: -185.043437
where:
bonds (distance) C4'-P energy: -47.523
bonds (distance) P-C4' energy: -60.568
flat angles C4'-P-C4' energy: -34.607
flat angles P-C4'-P energy: -23.447
tors. eta vs tors. theta energy: -18.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -230.234928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.234928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.234928 (E_RNA)
where:
Base-Base interactions energy: -61.296
where: short stacking energy: -59.754
Base-Backbone interact. energy: -0.471
local terms energy: -168.468062
where:
bonds (distance) C4'-P energy: -46.693
bonds (distance) P-C4' energy: -44.187
flat angles C4'-P-C4' energy: -41.331
flat angles P-C4'-P energy: -32.118
tors. eta vs tors. theta energy: -4.139
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: 1, replica: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -963.265581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.265581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.265581 (E_RNA)
where:
Base-Base interactions energy: -672.180
where: short stacking energy: -290.812
Base-Backbone interact. energy: -1.567
local terms energy: -289.518501
where:
bonds (distance) C4'-P energy: -49.999
bonds (distance) P-C4' energy: -64.655
flat angles C4'-P-C4' energy: -61.603
flat angles P-C4'-P energy: -35.315
tors. eta vs tors. theta energy: -77.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -940.583288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.583288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.583288 (E_RNA)
where:
Base-Base interactions energy: -651.521
where: short stacking energy: -272.310
Base-Backbone interact. energy: -1.133
local terms energy: -287.928834
where:
bonds (distance) C4'-P energy: -58.362
bonds (distance) P-C4' energy: -54.557
flat angles C4'-P-C4' energy: -56.468
flat angles P-C4'-P energy: -37.578
tors. eta vs tors. theta energy: -80.963
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: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -900.510597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.510597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.510597 (E_RNA)
where:
Base-Base interactions energy: -631.518
where: short stacking energy: -261.677
Base-Backbone interact. energy: -0.743
local terms energy: -268.250489
where:
bonds (distance) C4'-P energy: -48.069
bonds (distance) P-C4' energy: -50.091
flat angles C4'-P-C4' energy: -56.066
flat angles P-C4'-P energy: -37.734
tors. eta vs tors. theta energy: -76.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -873.891557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.891557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.891557 (E_RNA)
where:
Base-Base interactions energy: -577.750
where: short stacking energy: -253.185
Base-Backbone interact. energy: -1.069
local terms energy: -295.072473
where:
bonds (distance) C4'-P energy: -53.601
bonds (distance) P-C4' energy: -62.305
flat angles C4'-P-C4' energy: -64.277
flat angles P-C4'-P energy: -39.897
tors. eta vs tors. theta energy: -74.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -804.409244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.409244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.409244 (E_RNA)
where:
Base-Base interactions energy: -528.978
where: short stacking energy: -249.459
Base-Backbone interact. energy: -0.212
local terms energy: -275.219296
where:
bonds (distance) C4'-P energy: -48.959
bonds (distance) P-C4' energy: -57.835
flat angles C4'-P-C4' energy: -51.345
flat angles P-C4'-P energy: -41.941
tors. eta vs tors. theta energy: -75.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -691.222789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.222789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.222789 (E_RNA)
where:
Base-Base interactions energy: -439.271
where: short stacking energy: -204.345
Base-Backbone interact. energy: -1.699
local terms energy: -250.253525
where:
bonds (distance) C4'-P energy: -54.210
bonds (distance) P-C4' energy: -49.863
flat angles C4'-P-C4' energy: -55.866
flat angles P-C4'-P energy: -40.264
tors. eta vs tors. theta energy: -50.050
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: 51
Temperature: 1.200000
Total energy: -520.012633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.012633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.012633 (E_RNA)
where:
Base-Base interactions energy: -315.910
where: short stacking energy: -149.894
Base-Backbone interact. energy: -0.575
local terms energy: -203.528100
where:
bonds (distance) C4'-P energy: -48.959
bonds (distance) P-C4' energy: -48.686
flat angles C4'-P-C4' energy: -45.850
flat angles P-C4'-P energy: -32.123
tors. eta vs tors. theta energy: -27.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -539.474697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.474697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.474697 (E_RNA)
where:
Base-Base interactions energy: -330.242
where: short stacking energy: -156.585
Base-Backbone interact. energy: -0.226
local terms energy: -209.006945
where:
bonds (distance) C4'-P energy: -49.987
bonds (distance) P-C4' energy: -41.159
flat angles C4'-P-C4' energy: -47.878
flat angles P-C4'-P energy: -25.923
tors. eta vs tors. theta energy: -44.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -429.578297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.578297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.578297 (E_RNA)
where:
Base-Base interactions energy: -251.715
where: short stacking energy: -128.862
Base-Backbone interact. energy: 0.648
local terms energy: -178.511314
where:
bonds (distance) C4'-P energy: -43.386
bonds (distance) P-C4' energy: -46.913
flat angles C4'-P-C4' energy: -43.816
flat angles P-C4'-P energy: -28.513
tors. eta vs tors. theta energy: -15.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -236.596143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.596143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.596143 (E_RNA)
where:
Base-Base interactions energy: -83.702
where: short stacking energy: -65.349
Base-Backbone interact. energy: -0.536
local terms energy: -152.357945
where:
bonds (distance) C4'-P energy: -49.136
bonds (distance) P-C4' energy: -41.064
flat angles C4'-P-C4' energy: -42.963
flat angles P-C4'-P energy: -18.626
tors. eta vs tors. theta energy: -0.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -960.771850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.771850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.771850 (E_RNA)
where:
Base-Base interactions energy: -651.500
where: short stacking energy: -286.025
Base-Backbone interact. energy: -2.987
local terms energy: -306.284914
where:
bonds (distance) C4'-P energy: -53.456
bonds (distance) P-C4' energy: -57.712
flat angles C4'-P-C4' energy: -64.951
flat angles P-C4'-P energy: -45.845
tors. eta vs tors. theta energy: -84.321
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: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -931.931652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.931652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.931652 (E_RNA)
where:
Base-Base interactions energy: -621.900
where: short stacking energy: -267.031
Base-Backbone interact. energy: -3.029
local terms energy: -307.003071
where:
bonds (distance) C4'-P energy: -59.851
bonds (distance) P-C4' energy: -62.692
flat angles C4'-P-C4' energy: -67.903
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -73.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -890.397241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.397241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.397241 (E_RNA)
where:
Base-Base interactions energy: -593.882
where: short stacking energy: -266.563
Base-Backbone interact. energy: -1.314
local terms energy: -295.201242
where:
bonds (distance) C4'-P energy: -59.698
bonds (distance) P-C4' energy: -56.993
flat angles C4'-P-C4' energy: -59.258
flat angles P-C4'-P energy: -42.554
tors. eta vs tors. theta energy: -76.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -845.096429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.096429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.096429 (E_RNA)
where:
Base-Base interactions energy: -572.171
where: short stacking energy: -245.377
Base-Backbone interact. energy: -2.313
local terms energy: -270.612149
where:
bonds (distance) C4'-P energy: -45.863
bonds (distance) P-C4' energy: -55.050
flat angles C4'-P-C4' energy: -58.222
flat angles P-C4'-P energy: -43.439
tors. eta vs tors. theta energy: -68.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -812.101025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.101025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.101025 (E_RNA)
where:
Base-Base interactions energy: -539.088
where: short stacking energy: -247.852
Base-Backbone interact. energy: 0.017
local terms energy: -273.030651
where:
bonds (distance) C4'-P energy: -56.339
bonds (distance) P-C4' energy: -46.175
flat angles C4'-P-C4' energy: -56.088
flat angles P-C4'-P energy: -43.245
tors. eta vs tors. theta energy: -71.184
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: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -700.940820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.940820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.940820 (E_RNA)
where:
Base-Base interactions energy: -467.155
where: short stacking energy: -212.844
Base-Backbone interact. energy: 2.578
local terms energy: -236.363594
where:
bonds (distance) C4'-P energy: -44.620
bonds (distance) P-C4' energy: -50.367
flat angles C4'-P-C4' energy: -55.545
flat angles P-C4'-P energy: -30.630
tors. eta vs tors. theta energy: -55.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -540.526341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.526341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.526341 (E_RNA)
where:
Base-Base interactions energy: -343.459
where: short stacking energy: -183.381
Base-Backbone interact. energy: 0.951
local terms energy: -198.017596
where:
bonds (distance) C4'-P energy: -50.521
bonds (distance) P-C4' energy: -44.497
flat angles C4'-P-C4' energy: -36.570
flat angles P-C4'-P energy: -29.938
tors. eta vs tors. theta energy: -36.492
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: 3
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -457.934261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.934261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.934261 (E_RNA)
where:
Base-Base interactions energy: -257.773
where: short stacking energy: -121.508
Base-Backbone interact. energy: 0.068
local terms energy: -200.228732
where:
bonds (distance) C4'-P energy: -54.320
bonds (distance) P-C4' energy: -53.026
flat angles C4'-P-C4' energy: -40.855
flat angles P-C4'-P energy: -30.231
tors. eta vs tors. theta energy: -21.797
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: 1
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -422.906440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.906440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.906440 (E_RNA)
where:
Base-Base interactions energy: -256.366
where: short stacking energy: -137.382
Base-Backbone interact. energy: 0.247
local terms energy: -166.787373
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -45.880
flat angles C4'-P-C4' energy: -51.340
flat angles P-C4'-P energy: -27.391
tors. eta vs tors. theta energy: -12.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -240.498430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.498430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.498430 (E_RNA)
where:
Base-Base interactions energy: -69.790
where: short stacking energy: -67.856
Base-Backbone interact. energy: -0.021
local terms energy: -170.686944
where:
bonds (distance) C4'-P energy: -50.576
bonds (distance) P-C4' energy: -42.139
flat angles C4'-P-C4' energy: -47.825
flat angles P-C4'-P energy: -36.518
tors. eta vs tors. theta energy: 6.371
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: 2
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -963.527030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.527030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.527030 (E_RNA)
where:
Base-Base interactions energy: -653.018
where: short stacking energy: -268.752
Base-Backbone interact. energy: -1.992
local terms energy: -308.517042
where:
bonds (distance) C4'-P energy: -59.424
bonds (distance) P-C4' energy: -54.612
flat angles C4'-P-C4' energy: -59.012
flat angles P-C4'-P energy: -47.070
tors. eta vs tors. theta energy: -88.399
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: 53
Temperature: 0.950000
Total energy: -936.213773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.213773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.213773 (E_RNA)
where:
Base-Base interactions energy: -631.678
where: short stacking energy: -272.334
Base-Backbone interact. energy: -2.102
local terms energy: -302.433141
where:
bonds (distance) C4'-P energy: -58.242
bonds (distance) P-C4' energy: -61.001
flat angles C4'-P-C4' energy: -61.175
flat angles P-C4'-P energy: -42.508
tors. eta vs tors. theta energy: -79.506
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: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -910.966889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.966889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.966889 (E_RNA)
where:
Base-Base interactions energy: -638.125
where: short stacking energy: -266.661
Base-Backbone interact. energy: -0.186
local terms energy: -272.656511
where:
bonds (distance) C4'-P energy: -44.445
bonds (distance) P-C4' energy: -50.414
flat angles C4'-P-C4' energy: -64.127
flat angles P-C4'-P energy: -43.368
tors. eta vs tors. theta energy: -70.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -850.751341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.751341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.751341 (E_RNA)
where:
Base-Base interactions energy: -564.680
where: short stacking energy: -250.913
Base-Backbone interact. energy: -0.554
local terms energy: -285.517175
where:
bonds (distance) C4'-P energy: -55.014
bonds (distance) P-C4' energy: -56.602
flat angles C4'-P-C4' energy: -61.891
flat angles P-C4'-P energy: -45.209
tors. eta vs tors. theta energy: -66.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -852.974274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.974274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.974274 (E_RNA)
where:
Base-Base interactions energy: -574.044
where: short stacking energy: -260.559
Base-Backbone interact. energy: -1.769
local terms energy: -277.161907
where:
bonds (distance) C4'-P energy: -57.128
bonds (distance) P-C4' energy: -54.810
flat angles C4'-P-C4' energy: -48.035
flat angles P-C4'-P energy: -37.497
tors. eta vs tors. theta energy: -79.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -713.831925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.831925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.831925 (E_RNA)
where:
Base-Base interactions energy: -474.516
where: short stacking energy: -198.463
Base-Backbone interact. energy: 1.010
local terms energy: -240.325804
where:
bonds (distance) C4'-P energy: -44.020
bonds (distance) P-C4' energy: -57.867
flat angles C4'-P-C4' energy: -50.674
flat angles P-C4'-P energy: -33.569
tors. eta vs tors. theta energy: -54.197
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: 53
Temperature: 1.200000
Total energy: -506.494446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.494446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.494446 (E_RNA)
where:
Base-Base interactions energy: -296.561
where: short stacking energy: -160.155
Base-Backbone interact. energy: -0.932
local terms energy: -209.001781
where:
bonds (distance) C4'-P energy: -44.629
bonds (distance) P-C4' energy: -49.366
flat angles C4'-P-C4' energy: -54.760
flat angles P-C4'-P energy: -26.888
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: 53
Temperature: 1.250000
Total energy: -449.481335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.481335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.481335 (E_RNA)
where:
Base-Base interactions energy: -262.273
where: short stacking energy: -148.868
Base-Backbone interact. energy: 0.095
local terms energy: -187.303619
where:
bonds (distance) C4'-P energy: -48.493
bonds (distance) P-C4' energy: -41.709
flat angles C4'-P-C4' energy: -39.313
flat angles P-C4'-P energy: -31.978
tors. eta vs tors. theta energy: -25.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -427.514446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.514446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.514446 (E_RNA)
where:
Base-Base interactions energy: -252.123
where: short stacking energy: -121.480
Base-Backbone interact. energy: -2.072
local terms energy: -173.319758
where:
bonds (distance) C4'-P energy: -51.803
bonds (distance) P-C4' energy: -39.393
flat angles C4'-P-C4' energy: -47.451
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -13.802
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: 9
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -248.950399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.950399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.950399 (E_RNA)
where:
Base-Base interactions energy: -102.871
where: short stacking energy: -93.582
Base-Backbone interact. energy: 2.115
local terms energy: -148.194925
where:
bonds (distance) C4'-P energy: -38.309
bonds (distance) P-C4' energy: -43.348
flat angles C4'-P-C4' energy: -39.859
flat angles P-C4'-P energy: -28.869
tors. eta vs tors. theta energy: 2.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -948.109038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.109038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.109038 (E_RNA)
where:
Base-Base interactions energy: -649.698
where: short stacking energy: -268.082
Base-Backbone interact. energy: -0.346
local terms energy: -298.064041
where:
bonds (distance) C4'-P energy: -46.445
bonds (distance) P-C4' energy: -57.804
flat angles C4'-P-C4' energy: -70.053
flat angles P-C4'-P energy: -41.441
tors. eta vs tors. theta energy: -82.321
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: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -946.994622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.994622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.994622 (E_RNA)
where:
Base-Base interactions energy: -658.248
where: short stacking energy: -273.501
Base-Backbone interact. energy: -1.963
local terms energy: -286.783171
where:
bonds (distance) C4'-P energy: -52.298
bonds (distance) P-C4' energy: -59.226
flat angles C4'-P-C4' energy: -52.890
flat angles P-C4'-P energy: -36.765
tors. eta vs tors. theta energy: -85.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -931.440864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.440864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.440864 (E_RNA)
where:
Base-Base interactions energy: -642.317
where: short stacking energy: -282.220
Base-Backbone interact. energy: 0.085
local terms energy: -289.208662
where:
bonds (distance) C4'-P energy: -59.372
bonds (distance) P-C4' energy: -51.438
flat angles C4'-P-C4' energy: -59.779
flat angles P-C4'-P energy: -40.821
tors. eta vs tors. theta energy: -77.799
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: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -869.004593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.004593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.004593 (E_RNA)
where:
Base-Base interactions energy: -588.108
where: short stacking energy: -264.478
Base-Backbone interact. energy: -1.410
local terms energy: -279.486664
where:
bonds (distance) C4'-P energy: -53.136
bonds (distance) P-C4' energy: -52.051
flat angles C4'-P-C4' energy: -63.218
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -73.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -836.755190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.755190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.755190 (E_RNA)
where:
Base-Base interactions energy: -562.113
where: short stacking energy: -260.609
Base-Backbone interact. energy: -0.248
local terms energy: -274.394295
where:
bonds (distance) C4'-P energy: -53.775
bonds (distance) P-C4' energy: -48.062
flat angles C4'-P-C4' energy: -53.695
flat angles P-C4'-P energy: -39.426
tors. eta vs tors. theta energy: -79.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -707.159985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.159985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.159985 (E_RNA)
where:
Base-Base interactions energy: -449.300
where: short stacking energy: -210.966
Base-Backbone interact. energy: -1.636
local terms energy: -256.224231
where:
bonds (distance) C4'-P energy: -50.459
bonds (distance) P-C4' energy: -51.590
flat angles C4'-P-C4' energy: -53.458
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -57.601
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: 10
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -508.970776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -508.970776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -508.970776 (E_RNA)
where:
Base-Base interactions energy: -311.343
where: short stacking energy: -148.809
Base-Backbone interact. energy: -1.266
local terms energy: -196.362483
where:
bonds (distance) C4'-P energy: -51.598
bonds (distance) P-C4' energy: -52.060
flat angles C4'-P-C4' energy: -47.122
flat angles P-C4'-P energy: -19.221
tors. eta vs tors. theta energy: -26.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -510.844348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.844348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.844348 (E_RNA)
where:
Base-Base interactions energy: -302.526
where: short stacking energy: -161.937
Base-Backbone interact. energy: 0.028
local terms energy: -208.346462
where:
bonds (distance) C4'-P energy: -56.251
bonds (distance) P-C4' energy: -45.451
flat angles C4'-P-C4' energy: -38.467
flat angles P-C4'-P energy: -33.535
tors. eta vs tors. theta energy: -34.641
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: 3
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -428.305626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.305626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.305626 (E_RNA)
where:
Base-Base interactions energy: -238.447
where: short stacking energy: -115.455
Base-Backbone interact. energy: -0.188
local terms energy: -189.670543
where:
bonds (distance) C4'-P energy: -46.281
bonds (distance) P-C4' energy: -46.005
flat angles C4'-P-C4' energy: -49.880
flat angles P-C4'-P energy: -26.807
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -244.102884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.102884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.102884 (E_RNA)
where:
Base-Base interactions energy: -94.564
where: short stacking energy: -87.251
Base-Backbone interact. energy: -0.153
local terms energy: -149.385949
where:
bonds (distance) C4'-P energy: -36.274
bonds (distance) P-C4' energy: -53.492
flat angles C4'-P-C4' energy: -39.742
flat angles P-C4'-P energy: -22.394
tors. eta vs tors. theta energy: 2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -952.554578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.554578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.554578 (E_RNA)
where:
Base-Base interactions energy: -645.273
where: short stacking energy: -283.765
Base-Backbone interact. energy: -2.963
local terms energy: -304.319251
where:
bonds (distance) C4'-P energy: -58.688
bonds (distance) P-C4' energy: -57.414
flat angles C4'-P-C4' energy: -63.362
flat angles P-C4'-P energy: -45.705
tors. eta vs tors. theta energy: -79.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -942.342554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.342554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.342554 (E_RNA)
where:
Base-Base interactions energy: -654.768
where: short stacking energy: -282.627
Base-Backbone interact. energy: -0.769
local terms energy: -286.806337
where:
bonds (distance) C4'-P energy: -45.304
bonds (distance) P-C4' energy: -60.506
flat angles C4'-P-C4' energy: -60.327
flat angles P-C4'-P energy: -40.056
tors. eta vs tors. theta energy: -80.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -923.978521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.978521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.978521 (E_RNA)
where:
Base-Base interactions energy: -631.478
where: short stacking energy: -271.464
Base-Backbone interact. energy: -1.779
local terms energy: -290.721865
where:
bonds (distance) C4'-P energy: -54.591
bonds (distance) P-C4' energy: -53.917
flat angles C4'-P-C4' energy: -62.465
flat angles P-C4'-P energy: -44.935
tors. eta vs tors. theta energy: -74.815
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: 4, replica: 8
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -852.670569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.670569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.670569 (E_RNA)
where:
Base-Base interactions energy: -594.298
where: short stacking energy: -265.808
Base-Backbone interact. energy: -0.152
local terms energy: -258.220563
where:
bonds (distance) C4'-P energy: -40.632
bonds (distance) P-C4' energy: -43.345
flat angles C4'-P-C4' energy: -61.313
flat angles P-C4'-P energy: -40.140
tors. eta vs tors. theta energy: -72.791
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: 6
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -815.531496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.531496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.531496 (E_RNA)
where:
Base-Base interactions energy: -562.654
where: short stacking energy: -253.650
Base-Backbone interact. energy: -0.374
local terms energy: -252.503495
where:
bonds (distance) C4'-P energy: -44.578
bonds (distance) P-C4' energy: -50.653
flat angles C4'-P-C4' energy: -43.519
flat angles P-C4'-P energy: -40.148
tors. eta vs tors. theta energy: -73.606
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: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -693.698042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.698042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.698042 (E_RNA)
where:
Base-Base interactions energy: -467.789
where: short stacking energy: -225.808
Base-Backbone interact. energy: -1.982
local terms energy: -223.926780
where:
bonds (distance) C4'-P energy: -39.472
bonds (distance) P-C4' energy: -47.896
flat angles C4'-P-C4' energy: -50.558
flat angles P-C4'-P energy: -32.382
tors. eta vs tors. theta energy: -53.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -506.993593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.993593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.993593 (E_RNA)
where:
Base-Base interactions energy: -301.842
where: short stacking energy: -158.271
Base-Backbone interact. energy: -1.347
local terms energy: -203.804334
where:
bonds (distance) C4'-P energy: -44.280
bonds (distance) P-C4' energy: -43.209
flat angles C4'-P-C4' energy: -52.387
flat angles P-C4'-P energy: -34.079
tors. eta vs tors. theta energy: -29.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -480.981860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.981860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.981860 (E_RNA)
where:
Base-Base interactions energy: -294.499
where: short stacking energy: -158.556
Base-Backbone interact. energy: -3.904
local terms energy: -182.578625
where:
bonds (distance) C4'-P energy: -36.947
bonds (distance) P-C4' energy: -43.436
flat angles C4'-P-C4' energy: -46.453
flat angles P-C4'-P energy: -35.038
tors. eta vs tors. theta energy: -20.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -401.393020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.393020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.393020 (E_RNA)
where:
Base-Base interactions energy: -241.733
where: short stacking energy: -133.187
Base-Backbone interact. energy: -1.880
local terms energy: -157.780445
where:
bonds (distance) C4'-P energy: -40.030
bonds (distance) P-C4' energy: -36.488
flat angles C4'-P-C4' energy: -42.202
flat angles P-C4'-P energy: -25.108
tors. eta vs tors. theta energy: -13.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -255.891751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.891751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.891751 (E_RNA)
where:
Base-Base interactions energy: -104.006
where: short stacking energy: -78.395
Base-Backbone interact. energy: -0.001
local terms energy: -151.885050
where:
bonds (distance) C4'-P energy: -41.693
bonds (distance) P-C4' energy: -49.726
flat angles C4'-P-C4' energy: -36.093
flat angles P-C4'-P energy: -28.179
tors. eta vs tors. theta energy: 3.806
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: 56
Temperature: 0.900000
Total energy: -972.495738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.495738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.495738 (E_RNA)
where:
Base-Base interactions energy: -688.723
where: short stacking energy: -299.443
Base-Backbone interact. energy: -2.648
local terms energy: -281.124464
where:
bonds (distance) C4'-P energy: -58.959
bonds (distance) P-C4' energy: -48.059
flat angles C4'-P-C4' energy: -54.335
flat angles P-C4'-P energy: -34.945
tors. eta vs tors. theta energy: -84.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -939.818575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.818575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.818575 (E_RNA)
where:
Base-Base interactions energy: -650.587
where: short stacking energy: -277.736
Base-Backbone interact. energy: -2.459
local terms energy: -286.772685
where:
bonds (distance) C4'-P energy: -50.791
bonds (distance) P-C4' energy: -52.510
flat angles C4'-P-C4' energy: -59.376
flat angles P-C4'-P energy: -38.561
tors. eta vs tors. theta energy: -85.534
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: 4
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -935.760911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.760911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.760911 (E_RNA)
where:
Base-Base interactions energy: -647.543
where: short stacking energy: -261.351
Base-Backbone interact. energy: -0.983
local terms energy: -287.235388
where:
bonds (distance) C4'-P energy: -51.323
bonds (distance) P-C4' energy: -52.387
flat angles C4'-P-C4' energy: -62.836
flat angles P-C4'-P energy: -45.678
tors. eta vs tors. theta energy: -75.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -859.080663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.080663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.080663 (E_RNA)
where:
Base-Base interactions energy: -580.472
where: short stacking energy: -264.855
Base-Backbone interact. energy: -0.024
local terms energy: -278.584390
where:
bonds (distance) C4'-P energy: -55.134
bonds (distance) P-C4' energy: -48.212
flat angles C4'-P-C4' energy: -56.010
flat angles P-C4'-P energy: -35.142
tors. eta vs tors. theta energy: -84.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -787.811882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.811882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.811882 (E_RNA)
where:
Base-Base interactions energy: -509.988
where: short stacking energy: -218.221
Base-Backbone interact. energy: -2.064
local terms energy: -275.759415
where:
bonds (distance) C4'-P energy: -54.501
bonds (distance) P-C4' energy: -53.410
flat angles C4'-P-C4' energy: -58.522
flat angles P-C4'-P energy: -39.317
tors. eta vs tors. theta energy: -70.011
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: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -722.597041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.597041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.597041 (E_RNA)
where:
Base-Base interactions energy: -463.339
where: short stacking energy: -220.927
Base-Backbone interact. energy: -1.283
local terms energy: -257.975773
where:
bonds (distance) C4'-P energy: -41.215
bonds (distance) P-C4' energy: -55.001
flat angles C4'-P-C4' energy: -54.540
flat angles P-C4'-P energy: -42.686
tors. eta vs tors. theta energy: -64.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -501.708658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.708658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.708658 (E_RNA)
where:
Base-Base interactions energy: -305.437
where: short stacking energy: -165.115
Base-Backbone interact. energy: 2.121
local terms energy: -198.392164
where:
bonds (distance) C4'-P energy: -59.723
bonds (distance) P-C4' energy: -50.730
flat angles C4'-P-C4' energy: -40.826
flat angles P-C4'-P energy: -34.194
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -477.094842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.094842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.094842 (E_RNA)
where:
Base-Base interactions energy: -275.412
where: short stacking energy: -147.259
Base-Backbone interact. energy: -1.214
local terms energy: -200.468506
where:
bonds (distance) C4'-P energy: -46.296
bonds (distance) P-C4' energy: -52.279
flat angles C4'-P-C4' energy: -56.408
flat angles P-C4'-P energy: -17.838
tors. eta vs tors. theta energy: -27.648
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: 9, replica: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -387.479148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.479148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.479148 (E_RNA)
where:
Base-Base interactions energy: -193.782
where: short stacking energy: -105.634
Base-Backbone interact. energy: 0.116
local terms energy: -193.813135
where:
bonds (distance) C4'-P energy: -46.752
bonds (distance) P-C4' energy: -46.600
flat angles C4'-P-C4' energy: -49.484
flat angles P-C4'-P energy: -30.037
tors. eta vs tors. theta energy: -20.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -243.767477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.767477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.767477 (E_RNA)
where:
Base-Base interactions energy: -77.750
where: short stacking energy: -50.251
Base-Backbone interact. energy: -2.270
local terms energy: -163.747798
where:
bonds (distance) C4'-P energy: -52.623
bonds (distance) P-C4' energy: -48.920
flat angles C4'-P-C4' energy: -47.516
flat angles P-C4'-P energy: -20.617
tors. eta vs tors. theta energy: 5.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -990.254136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.254136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.254136 (E_RNA)
where:
Base-Base interactions energy: -686.453
where: short stacking energy: -261.958
Base-Backbone interact. energy: -0.345
local terms energy: -303.456030
where:
bonds (distance) C4'-P energy: -47.265
bonds (distance) P-C4' energy: -57.610
flat angles C4'-P-C4' energy: -64.971
flat angles P-C4'-P energy: -45.867
tors. eta vs tors. theta energy: -87.744
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: 2, replica: 4
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -966.378985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.378985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.378985 (E_RNA)
where:
Base-Base interactions energy: -647.118
where: short stacking energy: -274.513
Base-Backbone interact. energy: -1.905
local terms energy: -317.355519
where:
bonds (distance) C4'-P energy: -62.633
bonds (distance) P-C4' energy: -61.672
flat angles C4'-P-C4' energy: -63.795
flat angles P-C4'-P energy: -42.180
tors. eta vs tors. theta energy: -87.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -910.666862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.666862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.666862 (E_RNA)
where:
Base-Base interactions energy: -624.906
where: short stacking energy: -273.564
Base-Backbone interact. energy: 0.089
local terms energy: -285.849751
where:
bonds (distance) C4'-P energy: -44.904
bonds (distance) P-C4' energy: -65.235
flat angles C4'-P-C4' energy: -64.320
flat angles P-C4'-P energy: -31.516
tors. eta vs tors. theta energy: -79.875
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: 6
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -815.626968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.626968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.626968 (E_RNA)
where:
Base-Base interactions energy: -540.710
where: short stacking energy: -234.987
Base-Backbone interact. energy: 1.709
local terms energy: -276.626241
where:
bonds (distance) C4'-P energy: -55.600
bonds (distance) P-C4' energy: -48.942
flat angles C4'-P-C4' energy: -61.947
flat angles P-C4'-P energy: -37.919
tors. eta vs tors. theta energy: -72.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -813.708997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.708997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.708997 (E_RNA)
where:
Base-Base interactions energy: -550.196
where: short stacking energy: -251.956
Base-Backbone interact. energy: -0.834
local terms energy: -262.678176
where:
bonds (distance) C4'-P energy: -54.832
bonds (distance) P-C4' energy: -53.993
flat angles C4'-P-C4' energy: -59.698
flat angles P-C4'-P energy: -32.801
tors. eta vs tors. theta energy: -61.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -684.602432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.602432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.602432 (E_RNA)
where:
Base-Base interactions energy: -447.323
where: short stacking energy: -186.023
Base-Backbone interact. energy: -0.995
local terms energy: -236.284801
where:
bonds (distance) C4'-P energy: -58.910
bonds (distance) P-C4' energy: -50.896
flat angles C4'-P-C4' energy: -41.024
flat angles P-C4'-P energy: -41.238
tors. eta vs tors. theta energy: -44.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -515.323937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.323937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.323937 (E_RNA)
where:
Base-Base interactions energy: -297.986
where: short stacking energy: -145.920
Base-Backbone interact. energy: -0.338
local terms energy: -217.000271
where:
bonds (distance) C4'-P energy: -50.247
bonds (distance) P-C4' energy: -43.498
flat angles C4'-P-C4' energy: -49.608
flat angles P-C4'-P energy: -34.041
tors. eta vs tors. theta energy: -39.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -487.509490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.509490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.509490 (E_RNA)
where:
Base-Base interactions energy: -288.524
where: short stacking energy: -156.332
Base-Backbone interact. energy: -1.994
local terms energy: -196.991586
where:
bonds (distance) C4'-P energy: -43.802
bonds (distance) P-C4' energy: -56.605
flat angles C4'-P-C4' energy: -42.175
flat angles P-C4'-P energy: -33.260
tors. eta vs tors. theta energy: -21.150
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: 3
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -405.897787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.897787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.897787 (E_RNA)
where:
Base-Base interactions energy: -213.383
where: short stacking energy: -116.276
Base-Backbone interact. energy: -0.648
local terms energy: -191.867157
where:
bonds (distance) C4'-P energy: -40.550
bonds (distance) P-C4' energy: -54.814
flat angles C4'-P-C4' energy: -46.493
flat angles P-C4'-P energy: -36.461
tors. eta vs tors. theta energy: -13.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -250.221477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.221477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.221477 (E_RNA)
where:
Base-Base interactions energy: -92.799
where: short stacking energy: -64.758
Base-Backbone interact. energy: -1.032
local terms energy: -156.389749
where:
bonds (distance) C4'-P energy: -62.234
bonds (distance) P-C4' energy: -49.736
flat angles C4'-P-C4' energy: -38.344
flat angles P-C4'-P energy: -19.713
tors. eta vs tors. theta energy: 13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -978.985830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.985830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.985830 (E_RNA)
where:
Base-Base interactions energy: -673.779
where: short stacking energy: -274.097
Base-Backbone interact. energy: -1.479
local terms energy: -303.727498
where:
bonds (distance) C4'-P energy: -61.337
bonds (distance) P-C4' energy: -58.052
flat angles C4'-P-C4' energy: -54.101
flat angles P-C4'-P energy: -45.820
tors. eta vs tors. theta energy: -84.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -974.330849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.330849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.330849 (E_RNA)
where:
Base-Base interactions energy: -672.684
where: short stacking energy: -284.848
Base-Backbone interact. energy: 0.703
local terms energy: -302.349882
where:
bonds (distance) C4'-P energy: -58.218
bonds (distance) P-C4' energy: -55.291
flat angles C4'-P-C4' energy: -67.362
flat angles P-C4'-P energy: -40.374
tors. eta vs tors. theta energy: -81.105
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: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -923.682788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.682788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.682788 (E_RNA)
where:
Base-Base interactions energy: -637.990
where: short stacking energy: -272.843
Base-Backbone interact. energy: -0.906
local terms energy: -284.786559
where:
bonds (distance) C4'-P energy: -51.815
bonds (distance) P-C4' energy: -57.649
flat angles C4'-P-C4' energy: -51.772
flat angles P-C4'-P energy: -39.840
tors. eta vs tors. theta energy: -83.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -819.515609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.515609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.515609 (E_RNA)
where:
Base-Base interactions energy: -552.855
where: short stacking energy: -250.631
Base-Backbone interact. energy: -3.206
local terms energy: -263.454368
where:
bonds (distance) C4'-P energy: -51.322
bonds (distance) P-C4' energy: -52.025
flat angles C4'-P-C4' energy: -54.779
flat angles P-C4'-P energy: -30.327
tors. eta vs tors. theta energy: -75.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -791.914823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.914823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.914823 (E_RNA)
where:
Base-Base interactions energy: -539.382
where: short stacking energy: -239.288
Base-Backbone interact. energy: 0.895
local terms energy: -253.427941
where:
bonds (distance) C4'-P energy: -50.560
bonds (distance) P-C4' energy: -54.456
flat angles C4'-P-C4' energy: -53.950
flat angles P-C4'-P energy: -35.798
tors. eta vs tors. theta energy: -58.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -650.497012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.497012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.497012 (E_RNA)
where:
Base-Base interactions energy: -431.465
where: short stacking energy: -182.282
Base-Backbone interact. energy: 1.699
local terms energy: -220.730995
where:
bonds (distance) C4'-P energy: -58.338
bonds (distance) P-C4' energy: -47.158
flat angles C4'-P-C4' energy: -41.836
flat angles P-C4'-P energy: -34.106
tors. eta vs tors. theta energy: -39.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -516.393680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.393680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.393680 (E_RNA)
where:
Base-Base interactions energy: -314.007
where: short stacking energy: -168.176
Base-Backbone interact. energy: -0.583
local terms energy: -201.803158
where:
bonds (distance) C4'-P energy: -44.778
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -48.842
flat angles P-C4'-P energy: -24.519
tors. eta vs tors. theta energy: -35.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -439.281001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.281001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.281001 (E_RNA)
where:
Base-Base interactions energy: -241.023
where: short stacking energy: -130.492
Base-Backbone interact. energy: -0.390
local terms energy: -197.867988
where:
bonds (distance) C4'-P energy: -53.066
bonds (distance) P-C4' energy: -58.307
flat angles C4'-P-C4' energy: -43.862
flat angles P-C4'-P energy: -25.683
tors. eta vs tors. theta energy: -16.950
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: 3
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -428.760156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.760156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.760156 (E_RNA)
where:
Base-Base interactions energy: -246.273
where: short stacking energy: -143.994
Base-Backbone interact. energy: 0.470
local terms energy: -182.956881
where:
bonds (distance) C4'-P energy: -38.839
bonds (distance) P-C4' energy: -47.735
flat angles C4'-P-C4' energy: -43.158
flat angles P-C4'-P energy: -31.350
tors. eta vs tors. theta energy: -21.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -244.783174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.783174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.783174 (E_RNA)
where:
Base-Base interactions energy: -89.980
where: short stacking energy: -89.961
Base-Backbone interact. energy: 0.434
local terms energy: -155.237068
where:
bonds (distance) C4'-P energy: -45.763
bonds (distance) P-C4' energy: -42.013
flat angles C4'-P-C4' energy: -41.240
flat angles P-C4'-P energy: -33.850
tors. eta vs tors. theta energy: 7.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -972.356178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.356178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.356178 (E_RNA)
where:
Base-Base interactions energy: -670.196
where: short stacking energy: -271.230
Base-Backbone interact. energy: -3.210
local terms energy: -298.950284
where:
bonds (distance) C4'-P energy: -59.260
bonds (distance) P-C4' energy: -53.294
flat angles C4'-P-C4' energy: -61.391
flat angles P-C4'-P energy: -41.229
tors. eta vs tors. theta energy: -83.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -984.075567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.075567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.075567 (E_RNA)
where:
Base-Base interactions energy: -696.123
where: short stacking energy: -303.896
Base-Backbone interact. energy: -1.072
local terms energy: -286.880519
where:
bonds (distance) C4'-P energy: -50.610
bonds (distance) P-C4' energy: -50.388
flat angles C4'-P-C4' energy: -62.687
flat angles P-C4'-P energy: -37.667
tors. eta vs tors. theta energy: -85.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -918.830774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.830774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.830774 (E_RNA)
where:
Base-Base interactions energy: -626.349
where: short stacking energy: -272.878
Base-Backbone interact. energy: -1.957
local terms energy: -290.524385
where:
bonds (distance) C4'-P energy: -57.370
bonds (distance) P-C4' energy: -49.330
flat angles C4'-P-C4' energy: -64.503
flat angles P-C4'-P energy: -40.920
tors. eta vs tors. theta energy: -78.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -821.893408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.893408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.893408 (E_RNA)
where:
Base-Base interactions energy: -553.095
where: short stacking energy: -238.220
Base-Backbone interact. energy: -1.579
local terms energy: -267.219615
where:
bonds (distance) C4'-P energy: -54.496
bonds (distance) P-C4' energy: -52.251
flat angles C4'-P-C4' energy: -54.965
flat angles P-C4'-P energy: -43.772
tors. eta vs tors. theta energy: -61.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -819.099584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.099584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.099584 (E_RNA)
where:
Base-Base interactions energy: -559.340
where: short stacking energy: -256.236
Base-Backbone interact. energy: -0.640
local terms energy: -259.120189
where:
bonds (distance) C4'-P energy: -46.505
bonds (distance) P-C4' energy: -43.892
flat angles C4'-P-C4' energy: -60.533
flat angles P-C4'-P energy: -41.847
tors. eta vs tors. theta energy: -66.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -694.141700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.141700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.141700 (E_RNA)
where:
Base-Base interactions energy: -450.520
where: short stacking energy: -218.071
Base-Backbone interact. energy: 1.302
local terms energy: -244.924000
where:
bonds (distance) C4'-P energy: -42.534
bonds (distance) P-C4' energy: -53.542
flat angles C4'-P-C4' energy: -57.179
flat angles P-C4'-P energy: -38.756
tors. eta vs tors. theta energy: -52.913
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: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -514.202065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.202065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.202065 (E_RNA)
where:
Base-Base interactions energy: -297.137
where: short stacking energy: -144.628
Base-Backbone interact. energy: -4.078
local terms energy: -212.986886
where:
bonds (distance) C4'-P energy: -44.769
bonds (distance) P-C4' energy: -53.442
flat angles C4'-P-C4' energy: -42.248
flat angles P-C4'-P energy: -37.035
tors. eta vs tors. theta energy: -35.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -468.638847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.638847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.638847 (E_RNA)
where:
Base-Base interactions energy: -268.986
where: short stacking energy: -129.135
Base-Backbone interact. energy: -0.442
local terms energy: -199.210837
where:
bonds (distance) C4'-P energy: -55.871
bonds (distance) P-C4' energy: -44.698
flat angles C4'-P-C4' energy: -43.880
flat angles P-C4'-P energy: -42.613
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -401.941883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.941883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.941883 (E_RNA)
where:
Base-Base interactions energy: -219.668
where: short stacking energy: -126.412
Base-Backbone interact. energy: 3.042
local terms energy: -185.315204
where:
bonds (distance) C4'-P energy: -44.274
bonds (distance) P-C4' energy: -53.607
flat angles C4'-P-C4' energy: -32.367
flat angles P-C4'-P energy: -26.872
tors. eta vs tors. theta energy: -28.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -239.184074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.184074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.184074 (E_RNA)
where:
Base-Base interactions energy: -109.379
where: short stacking energy: -86.061
Base-Backbone interact. energy: -0.802
local terms energy: -129.002717
where:
bonds (distance) C4'-P energy: -38.823
bonds (distance) P-C4' energy: -40.132
flat angles C4'-P-C4' energy: -46.722
flat angles P-C4'-P energy: -21.705
tors. eta vs tors. theta energy: 18.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -988.578069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.578069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.578069 (E_RNA)
where:
Base-Base interactions energy: -693.205
where: short stacking energy: -290.946
Base-Backbone interact. energy: -1.638
local terms energy: -293.734922
where:
bonds (distance) C4'-P energy: -53.728
bonds (distance) P-C4' energy: -56.841
flat angles C4'-P-C4' energy: -63.198
flat angles P-C4'-P energy: -34.507
tors. eta vs tors. theta energy: -85.462
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: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -980.395657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.395657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.395657 (E_RNA)
where:
Base-Base interactions energy: -676.487
where: short stacking energy: -291.648
Base-Backbone interact. energy: -1.464
local terms energy: -302.444307
where:
bonds (distance) C4'-P energy: -58.600
bonds (distance) P-C4' energy: -55.733
flat angles C4'-P-C4' energy: -63.984
flat angles P-C4'-P energy: -38.040
tors. eta vs tors. theta energy: -86.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -896.347293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.347293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.347293 (E_RNA)
where:
Base-Base interactions energy: -601.956
where: short stacking energy: -282.580
Base-Backbone interact. energy: -1.164
local terms energy: -293.227380
where:
bonds (distance) C4'-P energy: -55.385
bonds (distance) P-C4' energy: -50.716
flat angles C4'-P-C4' energy: -60.886
flat angles P-C4'-P energy: -41.904
tors. eta vs tors. theta energy: -84.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -829.311572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.311572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.311572 (E_RNA)
where:
Base-Base interactions energy: -545.908
where: short stacking energy: -260.488
Base-Backbone interact. energy: 4.545
local terms energy: -287.948703
where:
bonds (distance) C4'-P energy: -63.120
bonds (distance) P-C4' energy: -47.195
flat angles C4'-P-C4' energy: -60.644
flat angles P-C4'-P energy: -44.684
tors. eta vs tors. theta energy: -72.306
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: 5, replica: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -847.855329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.855329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.855329 (E_RNA)
where:
Base-Base interactions energy: -567.570
where: short stacking energy: -244.576
Base-Backbone interact. energy: 0.296
local terms energy: -280.581080
where:
bonds (distance) C4'-P energy: -55.922
bonds (distance) P-C4' energy: -57.215
flat angles C4'-P-C4' energy: -52.687
flat angles P-C4'-P energy: -42.161
tors. eta vs tors. theta energy: -72.596
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: 60
Temperature: 1.150000
Total energy: -703.668905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.668905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.668905 (E_RNA)
where:
Base-Base interactions energy: -457.818
where: short stacking energy: -210.914
Base-Backbone interact. energy: -0.792
local terms energy: -245.058882
where:
bonds (distance) C4'-P energy: -42.720
bonds (distance) P-C4' energy: -45.879
flat angles C4'-P-C4' energy: -51.308
flat angles P-C4'-P energy: -40.031
tors. eta vs tors. theta energy: -65.121
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: 7, replica: 10
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -529.970107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.970107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.970107 (E_RNA)
where:
Base-Base interactions energy: -329.512
where: short stacking energy: -171.207
Base-Backbone interact. energy: -1.382
local terms energy: -199.075996
where:
bonds (distance) C4'-P energy: -45.737
bonds (distance) P-C4' energy: -50.924
flat angles C4'-P-C4' energy: -39.663
flat angles P-C4'-P energy: -29.343
tors. eta vs tors. theta energy: -33.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -455.279460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.279460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.279460 (E_RNA)
where:
Base-Base interactions energy: -263.438
where: short stacking energy: -126.947
Base-Backbone interact. energy: -0.493
local terms energy: -191.349310
where:
bonds (distance) C4'-P energy: -52.458
bonds (distance) P-C4' energy: -44.257
flat angles C4'-P-C4' energy: -47.156
flat angles P-C4'-P energy: -35.451
tors. eta vs tors. theta energy: -12.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -440.279196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.279196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.279196 (E_RNA)
where:
Base-Base interactions energy: -242.713
where: short stacking energy: -114.479
Base-Backbone interact. energy: 0.234
local terms energy: -197.799868
where:
bonds (distance) C4'-P energy: -54.908
bonds (distance) P-C4' energy: -51.238
flat angles C4'-P-C4' energy: -34.627
flat angles P-C4'-P energy: -37.981
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -241.175751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.175751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.175751 (E_RNA)
where:
Base-Base interactions energy: -78.274
where: short stacking energy: -47.704
Base-Backbone interact. energy: -1.028
local terms energy: -161.873599
where:
bonds (distance) C4'-P energy: -53.906
bonds (distance) P-C4' energy: -44.646
flat angles C4'-P-C4' energy: -38.679
flat angles P-C4'-P energy: -31.687
tors. eta vs tors. theta energy: 7.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -991.029848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.029848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.029848 (E_RNA)
where:
Base-Base interactions energy: -695.565
where: short stacking energy: -271.640
Base-Backbone interact. energy: -1.630
local terms energy: -293.834940
where:
bonds (distance) C4'-P energy: -60.231
bonds (distance) P-C4' energy: -57.400
flat angles C4'-P-C4' energy: -59.731
flat angles P-C4'-P energy: -35.194
tors. eta vs tors. theta energy: -81.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -979.996012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.996012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.996012 (E_RNA)
where:
Base-Base interactions energy: -690.816
where: short stacking energy: -283.784
Base-Backbone interact. energy: -0.857
local terms energy: -288.322634
where:
bonds (distance) C4'-P energy: -44.785
bonds (distance) P-C4' energy: -55.742
flat angles C4'-P-C4' energy: -62.129
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -83.222
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: 2
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -887.785409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.785409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.785409 (E_RNA)
where:
Base-Base interactions energy: -597.960
where: short stacking energy: -273.472
Base-Backbone interact. energy: -0.350
local terms energy: -289.475580
where:
bonds (distance) C4'-P energy: -53.664
bonds (distance) P-C4' energy: -52.790
flat angles C4'-P-C4' energy: -64.861
flat angles P-C4'-P energy: -37.603
tors. eta vs tors. theta energy: -80.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -833.895929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.895929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.895929 (E_RNA)
where:
Base-Base interactions energy: -566.422
where: short stacking energy: -272.068
Base-Backbone interact. energy: -0.148
local terms energy: -267.325198
where:
bonds (distance) C4'-P energy: -49.115
bonds (distance) P-C4' energy: -53.304
flat angles C4'-P-C4' energy: -59.583
flat angles P-C4'-P energy: -24.788
tors. eta vs tors. theta energy: -80.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -834.112138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.112138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.112138 (E_RNA)
where:
Base-Base interactions energy: -568.920
where: short stacking energy: -240.105
Base-Backbone interact. energy: 0.179
local terms energy: -265.371387
where:
bonds (distance) C4'-P energy: -43.226
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -61.157
flat angles P-C4'-P energy: -30.160
tors. eta vs tors. theta energy: -76.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -677.276353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.276353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.276353 (E_RNA)
where:
Base-Base interactions energy: -443.628
where: short stacking energy: -193.390
Base-Backbone interact. energy: 0.591
local terms energy: -234.239306
where:
bonds (distance) C4'-P energy: -48.512
bonds (distance) P-C4' energy: -47.422
flat angles C4'-P-C4' energy: -54.198
flat angles P-C4'-P energy: -30.586
tors. eta vs tors. theta energy: -53.520
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: 7, replica: 10
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -526.514030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.514030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.514030 (E_RNA)
where:
Base-Base interactions energy: -323.115
where: short stacking energy: -149.794
Base-Backbone interact. energy: 5.502
local terms energy: -208.901024
where:
bonds (distance) C4'-P energy: -37.365
bonds (distance) P-C4' energy: -49.805
flat angles C4'-P-C4' energy: -61.567
flat angles P-C4'-P energy: -32.483
tors. eta vs tors. theta energy: -27.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -535.404949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.404949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.404949 (E_RNA)
where:
Base-Base interactions energy: -347.944
where: short stacking energy: -175.539
Base-Backbone interact. energy: 4.971
local terms energy: -192.432222
where:
bonds (distance) C4'-P energy: -49.972
bonds (distance) P-C4' energy: -39.905
flat angles C4'-P-C4' energy: -46.659
flat angles P-C4'-P energy: -25.544
tors. eta vs tors. theta energy: -30.351
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: 1
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -473.996818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.996818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.996818 (E_RNA)
where:
Base-Base interactions energy: -273.368
where: short stacking energy: -150.614
Base-Backbone interact. energy: -1.047
local terms energy: -199.581721
where:
bonds (distance) C4'-P energy: -41.944
bonds (distance) P-C4' energy: -50.390
flat angles C4'-P-C4' energy: -51.943
flat angles P-C4'-P energy: -31.837
tors. eta vs tors. theta energy: -23.468
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: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -251.115288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.115288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.115288 (E_RNA)
where:
Base-Base interactions energy: -89.934
where: short stacking energy: -71.163
Base-Backbone interact. energy: 0.301
local terms energy: -161.482355
where:
bonds (distance) C4'-P energy: -54.972
bonds (distance) P-C4' energy: -53.327
flat angles C4'-P-C4' energy: -37.004
flat angles P-C4'-P energy: -23.932
tors. eta vs tors. theta energy: 7.753
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: 1, replica: 7
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -988.558611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.558611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.558611 (E_RNA)
where:
Base-Base interactions energy: -693.602
where: short stacking energy: -286.892
Base-Backbone interact. energy: -1.023
local terms energy: -293.933486
where:
bonds (distance) C4'-P energy: -56.028
bonds (distance) P-C4' energy: -56.148
flat angles C4'-P-C4' energy: -66.891
flat angles P-C4'-P energy: -34.685
tors. eta vs tors. theta energy: -80.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -977.299831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.299831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.299831 (E_RNA)
where:
Base-Base interactions energy: -684.549
where: short stacking energy: -281.266
Base-Backbone interact. energy: -0.596
local terms energy: -292.154709
where:
bonds (distance) C4'-P energy: -57.286
bonds (distance) P-C4' energy: -50.324
flat angles C4'-P-C4' energy: -63.192
flat angles P-C4'-P energy: -35.008
tors. eta vs tors. theta energy: -86.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -902.233908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.233908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.233908 (E_RNA)
where:
Base-Base interactions energy: -605.884
where: short stacking energy: -268.145
Base-Backbone interact. energy: -2.643
local terms energy: -293.706856
where:
bonds (distance) C4'-P energy: -54.207
bonds (distance) P-C4' energy: -58.746
flat angles C4'-P-C4' energy: -63.478
flat angles P-C4'-P energy: -39.709
tors. eta vs tors. theta energy: -77.566
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: 6
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -830.463706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.463706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.463706 (E_RNA)
where:
Base-Base interactions energy: -557.735
where: short stacking energy: -262.282
Base-Backbone interact. energy: -2.827
local terms energy: -269.901961
where:
bonds (distance) C4'-P energy: -44.101
bonds (distance) P-C4' energy: -54.086
flat angles C4'-P-C4' energy: -56.272
flat angles P-C4'-P energy: -40.386
tors. eta vs tors. theta energy: -75.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -832.180845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.180845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.180845 (E_RNA)
where:
Base-Base interactions energy: -566.158
where: short stacking energy: -261.269
Base-Backbone interact. energy: -0.641
local terms energy: -265.381929
where:
bonds (distance) C4'-P energy: -49.207
bonds (distance) P-C4' energy: -56.839
flat angles C4'-P-C4' energy: -55.903
flat angles P-C4'-P energy: -26.457
tors. eta vs tors. theta energy: -76.975
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: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -655.855648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.855648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.855648 (E_RNA)
where:
Base-Base interactions energy: -413.878
where: short stacking energy: -187.407
Base-Backbone interact. energy: -1.026
local terms energy: -240.951876
where:
bonds (distance) C4'-P energy: -51.442
bonds (distance) P-C4' energy: -44.078
flat angles C4'-P-C4' energy: -54.804
flat angles P-C4'-P energy: -37.553
tors. eta vs tors. theta energy: -53.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -480.273466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.273466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.273466 (E_RNA)
where:
Base-Base interactions energy: -282.662
where: short stacking energy: -148.297
Base-Backbone interact. energy: -0.506
local terms energy: -197.105326
where:
bonds (distance) C4'-P energy: -44.871
bonds (distance) P-C4' energy: -52.886
flat angles C4'-P-C4' energy: -53.558
flat angles P-C4'-P energy: -21.322
tors. eta vs tors. theta energy: -24.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -566.395051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.395051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.395051 (E_RNA)
where:
Base-Base interactions energy: -353.019
where: short stacking energy: -170.949
Base-Backbone interact. energy: -0.576
local terms energy: -212.800225
where:
bonds (distance) C4'-P energy: -48.476
bonds (distance) P-C4' energy: -35.301
flat angles C4'-P-C4' energy: -60.664
flat angles P-C4'-P energy: -33.895
tors. eta vs tors. theta energy: -34.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -262.212776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.212776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.212776 (E_RNA)
where:
Base-Base interactions energy: -101.558
where: short stacking energy: -86.841
Base-Backbone interact. energy: -2.602
local terms energy: -158.053255
where:
bonds (distance) C4'-P energy: -50.975
bonds (distance) P-C4' energy: -47.879
flat angles C4'-P-C4' energy: -39.300
flat angles P-C4'-P energy: -17.869
tors. eta vs tors. theta energy: -2.030
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: 1
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -359.272349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.272349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.272349 (E_RNA)
where:
Base-Base interactions energy: -204.848
where: short stacking energy: -117.297
Base-Backbone interact. energy: -0.020
local terms energy: -154.403951
where:
bonds (distance) C4'-P energy: -39.876
bonds (distance) P-C4' energy: -52.742
flat angles C4'-P-C4' energy: -34.486
flat angles P-C4'-P energy: -18.225
tors. eta vs tors. theta energy: -9.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -999.791764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.791764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.791764 (E_RNA)
where:
Base-Base interactions energy: -700.230
where: short stacking energy: -284.289
Base-Backbone interact. energy: -0.629
local terms energy: -298.932796
where:
bonds (distance) C4'-P energy: -59.942
bonds (distance) P-C4' energy: -58.557
flat angles C4'-P-C4' energy: -58.212
flat angles P-C4'-P energy: -41.254
tors. eta vs tors. theta energy: -80.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -988.137957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.137957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.137957 (E_RNA)
where:
Base-Base interactions energy: -688.691
where: short stacking energy: -293.202
Base-Backbone interact. energy: -0.141
local terms energy: -299.306585
where:
bonds (distance) C4'-P energy: -50.658
bonds (distance) P-C4' energy: -59.289
flat angles C4'-P-C4' energy: -62.726
flat angles P-C4'-P energy: -40.420
tors. eta vs tors. theta energy: -86.214
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: 2
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -892.230040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.230040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.230040 (E_RNA)
where:
Base-Base interactions energy: -598.039
where: short stacking energy: -265.424
Base-Backbone interact. energy: -0.864
local terms energy: -293.326896
where:
bonds (distance) C4'-P energy: -50.771
bonds (distance) P-C4' energy: -58.472
flat angles C4'-P-C4' energy: -65.309
flat angles P-C4'-P energy: -37.490
tors. eta vs tors. theta energy: -81.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -823.830245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.830245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.830245 (E_RNA)
where:
Base-Base interactions energy: -546.374
where: short stacking energy: -256.238
Base-Backbone interact. energy: -2.893
local terms energy: -274.563126
where:
bonds (distance) C4'-P energy: -59.137
bonds (distance) P-C4' energy: -55.385
flat angles C4'-P-C4' energy: -61.881
flat angles P-C4'-P energy: -24.028
tors. eta vs tors. theta energy: -74.132
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: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -861.450914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.450914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.450914 (E_RNA)
where:
Base-Base interactions energy: -606.989
where: short stacking energy: -262.202
Base-Backbone interact. energy: -1.908
local terms energy: -252.553944
where:
bonds (distance) C4'-P energy: -47.569
bonds (distance) P-C4' energy: -46.225
flat angles C4'-P-C4' energy: -50.998
flat angles P-C4'-P energy: -33.538
tors. eta vs tors. theta energy: -74.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -640.814281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.814281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.814281 (E_RNA)
where:
Base-Base interactions energy: -411.705
where: short stacking energy: -189.131
Base-Backbone interact. energy: -1.316
local terms energy: -227.793870
where:
bonds (distance) C4'-P energy: -53.376
bonds (distance) P-C4' energy: -45.190
flat angles C4'-P-C4' energy: -49.092
flat angles P-C4'-P energy: -39.812
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: 7, replica: 10
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -489.214448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.214448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.214448 (E_RNA)
where:
Base-Base interactions energy: -278.405
where: short stacking energy: -157.973
Base-Backbone interact. energy: 0.545
local terms energy: -211.354626
where:
bonds (distance) C4'-P energy: -49.666
bonds (distance) P-C4' energy: -55.218
flat angles C4'-P-C4' energy: -46.256
flat angles P-C4'-P energy: -34.666
tors. eta vs tors. theta energy: -25.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -574.968706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.968706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.968706 (E_RNA)
where:
Base-Base interactions energy: -379.612
where: short stacking energy: -159.785
Base-Backbone interact. energy: -1.050
local terms energy: -194.306684
where:
bonds (distance) C4'-P energy: -41.721
bonds (distance) P-C4' energy: -44.683
flat angles C4'-P-C4' energy: -44.921
flat angles P-C4'-P energy: -22.545
tors. eta vs tors. theta energy: -40.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -328.447987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.447987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.447987 (E_RNA)
where:
Base-Base interactions energy: -154.678
where: short stacking energy: -79.073
Base-Backbone interact. energy: -1.637
local terms energy: -172.132782
where:
bonds (distance) C4'-P energy: -45.537
bonds (distance) P-C4' energy: -59.132
flat angles C4'-P-C4' energy: -41.613
flat angles P-C4'-P energy: -23.134
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -307.219013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.219013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.219013 (E_RNA)
where:
Base-Base interactions energy: -161.722
where: short stacking energy: -92.963
Base-Backbone interact. energy: -1.752
local terms energy: -143.745459
where:
bonds (distance) C4'-P energy: -41.364
bonds (distance) P-C4' energy: -43.565
flat angles C4'-P-C4' energy: -37.263
flat angles P-C4'-P energy: -23.348
tors. eta vs tors. theta energy: 1.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -969.914742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.914742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.914742 (E_RNA)
where:
Base-Base interactions energy: -676.271
where: short stacking energy: -288.283
Base-Backbone interact. energy: -0.096
local terms energy: -293.547662
where:
bonds (distance) C4'-P energy: -59.552
bonds (distance) P-C4' energy: -51.452
flat angles C4'-P-C4' energy: -58.259
flat angles P-C4'-P energy: -42.319
tors. eta vs tors. theta energy: -81.965
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: 4
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -935.122540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.122540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.122540 (E_RNA)
where:
Base-Base interactions energy: -638.509
where: short stacking energy: -274.758
Base-Backbone interact. energy: -0.385
local terms energy: -296.228701
where:
bonds (distance) C4'-P energy: -62.167
bonds (distance) P-C4' energy: -57.339
flat angles C4'-P-C4' energy: -63.094
flat angles P-C4'-P energy: -42.216
tors. eta vs tors. theta energy: -71.413
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: 3, replica: 6
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -840.388453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.388453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.388453 (E_RNA)
where:
Base-Base interactions energy: -565.671
where: short stacking energy: -241.041
Base-Backbone interact. energy: -1.430
local terms energy: -273.287263
where:
bonds (distance) C4'-P energy: -50.264
bonds (distance) P-C4' energy: -65.059
flat angles C4'-P-C4' energy: -51.252
flat angles P-C4'-P energy: -41.743
tors. eta vs tors. theta energy: -64.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -866.405996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.405996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.405996 (E_RNA)
where:
Base-Base interactions energy: -587.361
where: short stacking energy: -243.960
Base-Backbone interact. energy: -0.152
local terms energy: -278.892535
where:
bonds (distance) C4'-P energy: -53.810
bonds (distance) P-C4' energy: -51.147
flat angles C4'-P-C4' energy: -56.821
flat angles P-C4'-P energy: -46.052
tors. eta vs tors. theta energy: -71.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -854.477980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.477980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.477980 (E_RNA)
where:
Base-Base interactions energy: -585.288
where: short stacking energy: -271.766
Base-Backbone interact. energy: -0.968
local terms energy: -268.222008
where:
bonds (distance) C4'-P energy: -56.906
bonds (distance) P-C4' energy: -46.798
flat angles C4'-P-C4' energy: -53.748
flat angles P-C4'-P energy: -32.872
tors. eta vs tors. theta energy: -77.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -665.126937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.126937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.126937 (E_RNA)
where:
Base-Base interactions energy: -422.330
where: short stacking energy: -195.922
Base-Backbone interact. energy: -1.538
local terms energy: -241.258852
where:
bonds (distance) C4'-P energy: -49.304
bonds (distance) P-C4' energy: -54.867
flat angles C4'-P-C4' energy: -54.143
flat angles P-C4'-P energy: -32.541
tors. eta vs tors. theta energy: -50.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -643.554228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.554228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.554228 (E_RNA)
where:
Base-Base interactions energy: -418.701
where: short stacking energy: -194.582
Base-Backbone interact. energy: 0.479
local terms energy: -225.332965
where:
bonds (distance) C4'-P energy: -49.368
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -57.858
flat angles P-C4'-P energy: -28.985
tors. eta vs tors. theta energy: -42.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -461.615631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.615631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.615631 (E_RNA)
where:
Base-Base interactions energy: -282.310
where: short stacking energy: -155.158
Base-Backbone interact. energy: 1.524
local terms energy: -180.829632
where:
bonds (distance) C4'-P energy: -49.506
bonds (distance) P-C4' energy: -46.612
flat angles C4'-P-C4' energy: -43.216
flat angles P-C4'-P energy: -16.399
tors. eta vs tors. theta energy: -25.096
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: 1
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -385.764354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.764354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.764354 (E_RNA)
where:
Base-Base interactions energy: -212.914
where: short stacking energy: -114.868
Base-Backbone interact. energy: -0.753
local terms energy: -172.096858
where:
bonds (distance) C4'-P energy: -38.906
bonds (distance) P-C4' energy: -52.485
flat angles C4'-P-C4' energy: -54.494
flat angles P-C4'-P energy: -20.738
tors. eta vs tors. theta energy: -5.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -320.543054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.543054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.543054 (E_RNA)
where:
Base-Base interactions energy: -154.485
where: short stacking energy: -90.702
Base-Backbone interact. energy: -0.399
local terms energy: -165.658224
where:
bonds (distance) C4'-P energy: -47.951
bonds (distance) P-C4' energy: -39.817
flat angles C4'-P-C4' energy: -52.573
flat angles P-C4'-P energy: -19.285
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -974.424731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.424731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.424731 (E_RNA)
where:
Base-Base interactions energy: -675.779
where: short stacking energy: -267.054
Base-Backbone interact. energy: -0.620
local terms energy: -298.024865
where:
bonds (distance) C4'-P energy: -57.292
bonds (distance) P-C4' energy: -61.416
flat angles C4'-P-C4' energy: -66.425
flat angles P-C4'-P energy: -37.516
tors. eta vs tors. theta energy: -75.376
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: 4
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -991.270443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.270443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.270443 (E_RNA)
where:
Base-Base interactions energy: -693.859
where: short stacking energy: -290.507
Base-Backbone interact. energy: 2.723
local terms energy: -300.134996
where:
bonds (distance) C4'-P energy: -53.485
bonds (distance) P-C4' energy: -53.064
flat angles C4'-P-C4' energy: -65.563
flat angles P-C4'-P energy: -42.872
tors. eta vs tors. theta energy: -85.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -828.141148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.141148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.141148 (E_RNA)
where:
Base-Base interactions energy: -553.431
where: short stacking energy: -244.532
Base-Backbone interact. energy: -0.928
local terms energy: -273.782312
where:
bonds (distance) C4'-P energy: -56.329
bonds (distance) P-C4' energy: -59.132
flat angles C4'-P-C4' energy: -54.240
flat angles P-C4'-P energy: -40.961
tors. eta vs tors. theta energy: -63.121
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: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -870.625249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.625249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.625249 (E_RNA)
where:
Base-Base interactions energy: -585.378
where: short stacking energy: -251.857
Base-Backbone interact. energy: 1.152
local terms energy: -286.398992
where:
bonds (distance) C4'-P energy: -56.067
bonds (distance) P-C4' energy: -59.569
flat angles C4'-P-C4' energy: -55.842
flat angles P-C4'-P energy: -38.801
tors. eta vs tors. theta energy: -76.120
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: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -851.788693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.788693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.788693 (E_RNA)
where:
Base-Base interactions energy: -577.124
where: short stacking energy: -246.774
Base-Backbone interact. energy: -0.850
local terms energy: -273.815146
where:
bonds (distance) C4'-P energy: -55.098
bonds (distance) P-C4' energy: -47.629
flat angles C4'-P-C4' energy: -59.523
flat angles P-C4'-P energy: -33.081
tors. eta vs tors. theta energy: -78.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -665.722449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.722449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.722449 (E_RNA)
where:
Base-Base interactions energy: -423.958
where: short stacking energy: -195.501
Base-Backbone interact. energy: -0.925
local terms energy: -240.839663
where:
bonds (distance) C4'-P energy: -48.094
bonds (distance) P-C4' energy: -59.190
flat angles C4'-P-C4' energy: -48.058
flat angles P-C4'-P energy: -32.407
tors. eta vs tors. theta energy: -53.091
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: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -660.065764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.065764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.065764 (E_RNA)
where:
Base-Base interactions energy: -423.775
where: short stacking energy: -194.760
Base-Backbone interact. energy: -0.853
local terms energy: -235.437731
where:
bonds (distance) C4'-P energy: -51.383
bonds (distance) P-C4' energy: -46.357
flat angles C4'-P-C4' energy: -55.731
flat angles P-C4'-P energy: -22.712
tors. eta vs tors. theta energy: -59.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -464.342014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.342014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.342014 (E_RNA)
where:
Base-Base interactions energy: -257.759
where: short stacking energy: -135.994
Base-Backbone interact. energy: 1.025
local terms energy: -207.608279
where:
bonds (distance) C4'-P energy: -57.599
bonds (distance) P-C4' energy: -44.735
flat angles C4'-P-C4' energy: -51.666
flat angles P-C4'-P energy: -32.086
tors. eta vs tors. theta energy: -21.522
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: 1
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -393.611647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.611647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.611647 (E_RNA)
where:
Base-Base interactions energy: -210.820
where: short stacking energy: -114.311
Base-Backbone interact. energy: 2.249
local terms energy: -185.041302
where:
bonds (distance) C4'-P energy: -44.077
bonds (distance) P-C4' energy: -55.752
flat angles C4'-P-C4' energy: -47.853
flat angles P-C4'-P energy: -21.607
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -360.816759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.816759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.816759 (E_RNA)
where:
Base-Base interactions energy: -198.242
where: short stacking energy: -111.425
Base-Backbone interact. energy: -2.066
local terms energy: -160.508768
where:
bonds (distance) C4'-P energy: -42.732
bonds (distance) P-C4' energy: -40.943
flat angles C4'-P-C4' energy: -49.201
flat angles P-C4'-P energy: -19.150
tors. eta vs tors. theta energy: -8.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1005.734399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.734399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.734399 (E_RNA)
where:
Base-Base interactions energy: -695.152
where: short stacking energy: -283.944
Base-Backbone interact. energy: -0.578
local terms energy: -310.003629
where:
bonds (distance) C4'-P energy: -65.339
bonds (distance) P-C4' energy: -61.722
flat angles C4'-P-C4' energy: -62.625
flat angles P-C4'-P energy: -39.366
tors. eta vs tors. theta energy: -80.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -946.597849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.597849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.597849 (E_RNA)
where:
Base-Base interactions energy: -653.272
where: short stacking energy: -264.319
Base-Backbone interact. energy: -1.705
local terms energy: -291.621571
where:
bonds (distance) C4'-P energy: -55.250
bonds (distance) P-C4' energy: -60.249
flat angles C4'-P-C4' energy: -63.523
flat angles P-C4'-P energy: -38.271
tors. eta vs tors. theta energy: -74.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -907.736544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.736544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.736544 (E_RNA)
where:
Base-Base interactions energy: -626.356
where: short stacking energy: -274.239
Base-Backbone interact. energy: -2.358
local terms energy: -279.022312
where:
bonds (distance) C4'-P energy: -50.149
bonds (distance) P-C4' energy: -52.055
flat angles C4'-P-C4' energy: -57.176
flat angles P-C4'-P energy: -43.723
tors. eta vs tors. theta energy: -75.919
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: 66
Temperature: 1.050000
Total energy: -804.910054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.910054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.910054 (E_RNA)
where:
Base-Base interactions energy: -558.311
where: short stacking energy: -246.306
Base-Backbone interact. energy: -0.215
local terms energy: -246.383708
where:
bonds (distance) C4'-P energy: -47.269
bonds (distance) P-C4' energy: -46.062
flat angles C4'-P-C4' energy: -61.264
flat angles P-C4'-P energy: -30.546
tors. eta vs tors. theta energy: -61.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -855.419817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.419817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.419817 (E_RNA)
where:
Base-Base interactions energy: -588.002
where: short stacking energy: -266.593
Base-Backbone interact. energy: -1.914
local terms energy: -265.504113
where:
bonds (distance) C4'-P energy: -49.796
bonds (distance) P-C4' energy: -45.282
flat angles C4'-P-C4' energy: -58.377
flat angles P-C4'-P energy: -35.922
tors. eta vs tors. theta energy: -76.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -696.249295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.249295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.249295 (E_RNA)
where:
Base-Base interactions energy: -446.747
where: short stacking energy: -209.462
Base-Backbone interact. energy: -1.967
local terms energy: -247.534532
where:
bonds (distance) C4'-P energy: -52.030
bonds (distance) P-C4' energy: -49.937
flat angles C4'-P-C4' energy: -51.795
flat angles P-C4'-P energy: -33.625
tors. eta vs tors. theta energy: -60.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -652.473401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.473401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.473401 (E_RNA)
where:
Base-Base interactions energy: -423.034
where: short stacking energy: -197.685
Base-Backbone interact. energy: -0.138
local terms energy: -229.301845
where:
bonds (distance) C4'-P energy: -40.444
bonds (distance) P-C4' energy: -55.454
flat angles C4'-P-C4' energy: -49.146
flat angles P-C4'-P energy: -36.306
tors. eta vs tors. theta energy: -47.951
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: 10
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -484.031271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.031271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.031271 (E_RNA)
where:
Base-Base interactions energy: -301.915
where: short stacking energy: -164.777
Base-Backbone interact. energy: -1.728
local terms energy: -180.387868
where:
bonds (distance) C4'-P energy: -34.673
bonds (distance) P-C4' energy: -47.760
flat angles C4'-P-C4' energy: -48.204
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -35.244
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: 1
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -385.074383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.074383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.074383 (E_RNA)
where:
Base-Base interactions energy: -233.258
where: short stacking energy: -118.456
Base-Backbone interact. energy: 0.347
local terms energy: -152.163584
where:
bonds (distance) C4'-P energy: -41.420
bonds (distance) P-C4' energy: -44.690
flat angles C4'-P-C4' energy: -45.873
flat angles P-C4'-P energy: -16.072
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -329.824144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.824144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.824144 (E_RNA)
where:
Base-Base interactions energy: -170.231
where: short stacking energy: -94.572
Base-Backbone interact. energy: 2.507
local terms energy: -162.099332
where:
bonds (distance) C4'-P energy: -43.817
bonds (distance) P-C4' energy: -53.007
flat angles C4'-P-C4' energy: -37.149
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -4.951
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: 4
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1008.944957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.944957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.944957 (E_RNA)
where:
Base-Base interactions energy: -702.003
where: short stacking energy: -287.295
Base-Backbone interact. energy: -0.704
local terms energy: -306.238810
where:
bonds (distance) C4'-P energy: -58.047
bonds (distance) P-C4' energy: -60.435
flat angles C4'-P-C4' energy: -65.365
flat angles P-C4'-P energy: -39.215
tors. eta vs tors. theta energy: -83.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -939.071221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.071221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.071221 (E_RNA)
where:
Base-Base interactions energy: -647.003
where: short stacking energy: -273.941
Base-Backbone interact. energy: -1.022
local terms energy: -291.045590
where:
bonds (distance) C4'-P energy: -53.377
bonds (distance) P-C4' energy: -52.818
flat angles C4'-P-C4' energy: -61.952
flat angles P-C4'-P energy: -44.945
tors. eta vs tors. theta energy: -77.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -867.302590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.302590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.302590 (E_RNA)
where:
Base-Base interactions energy: -577.878
where: short stacking energy: -263.091
Base-Backbone interact. energy: -2.239
local terms energy: -287.185292
where:
bonds (distance) C4'-P energy: -53.196
bonds (distance) P-C4' energy: -57.631
flat angles C4'-P-C4' energy: -61.492
flat angles P-C4'-P energy: -41.408
tors. eta vs tors. theta energy: -73.459
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: 8
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -887.659220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.659220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.659220 (E_RNA)
where:
Base-Base interactions energy: -604.606
where: short stacking energy: -271.141
Base-Backbone interact. energy: -3.013
local terms energy: -280.040068
where:
bonds (distance) C4'-P energy: -49.549
bonds (distance) P-C4' energy: -44.717
flat angles C4'-P-C4' energy: -62.348
flat angles P-C4'-P energy: -46.592
tors. eta vs tors. theta energy: -76.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -757.549650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.549650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.549650 (E_RNA)
where:
Base-Base interactions energy: -507.825
where: short stacking energy: -228.926
Base-Backbone interact. energy: -1.553
local terms energy: -248.171943
where:
bonds (distance) C4'-P energy: -40.228
bonds (distance) P-C4' energy: -50.239
flat angles C4'-P-C4' energy: -53.868
flat angles P-C4'-P energy: -40.043
tors. eta vs tors. theta energy: -63.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -745.483364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.483364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.483364 (E_RNA)
where:
Base-Base interactions energy: -500.804
where: short stacking energy: -196.116
Base-Backbone interact. energy: 0.101
local terms energy: -244.780444
where:
bonds (distance) C4'-P energy: -46.427
bonds (distance) P-C4' energy: -55.745
flat angles C4'-P-C4' energy: -53.742
flat angles P-C4'-P energy: -31.971
tors. eta vs tors. theta energy: -56.895
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: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -668.473278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.473278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.473278 (E_RNA)
where:
Base-Base interactions energy: -423.736
where: short stacking energy: -180.615
Base-Backbone interact. energy: -2.348
local terms energy: -242.388683
where:
bonds (distance) C4'-P energy: -56.822
bonds (distance) P-C4' energy: -49.464
flat angles C4'-P-C4' energy: -46.619
flat angles P-C4'-P energy: -35.750
tors. eta vs tors. theta energy: -53.734
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: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -495.933316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.933316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.933316 (E_RNA)
where:
Base-Base interactions energy: -300.404
where: short stacking energy: -165.233
Base-Backbone interact. energy: 0.491
local terms energy: -196.020383
where:
bonds (distance) C4'-P energy: -38.016
bonds (distance) P-C4' energy: -45.813
flat angles C4'-P-C4' energy: -53.538
flat angles P-C4'-P energy: -25.278
tors. eta vs tors. theta energy: -33.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -416.816404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.816404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.816404 (E_RNA)
where:
Base-Base interactions energy: -241.068
where: short stacking energy: -132.693
Base-Backbone interact. energy: -0.471
local terms energy: -175.277599
where:
bonds (distance) C4'-P energy: -38.988
bonds (distance) P-C4' energy: -40.449
flat angles C4'-P-C4' energy: -48.325
flat angles P-C4'-P energy: -34.235
tors. eta vs tors. theta energy: -13.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -294.846974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.846974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.846974 (E_RNA)
where:
Base-Base interactions energy: -151.465
where: short stacking energy: -70.205
Base-Backbone interact. energy: 0.506
local terms energy: -143.887229
where:
bonds (distance) C4'-P energy: -45.807
bonds (distance) P-C4' energy: -49.001
flat angles C4'-P-C4' energy: -28.293
flat angles P-C4'-P energy: -31.373
tors. eta vs tors. theta energy: 10.587
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: 4
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1018.957238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.957238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.957238 (E_RNA)
where:
Base-Base interactions energy: -705.327
where: short stacking energy: -285.538
Base-Backbone interact. energy: -1.560
local terms energy: -312.070656
where:
bonds (distance) C4'-P energy: -50.517
bonds (distance) P-C4' energy: -63.016
flat angles C4'-P-C4' energy: -65.271
flat angles P-C4'-P energy: -44.852
tors. eta vs tors. theta energy: -88.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -947.436895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.436895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.436895 (E_RNA)
where:
Base-Base interactions energy: -663.214
where: short stacking energy: -270.674
Base-Backbone interact. energy: -1.813
local terms energy: -282.409872
where:
bonds (distance) C4'-P energy: -58.500
bonds (distance) P-C4' energy: -54.084
flat angles C4'-P-C4' energy: -59.017
flat angles P-C4'-P energy: -35.849
tors. eta vs tors. theta energy: -74.961
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: 8
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -900.643310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.643310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.643310 (E_RNA)
where:
Base-Base interactions energy: -629.783
where: short stacking energy: -272.812
Base-Backbone interact. energy: -1.584
local terms energy: -269.275655
where:
bonds (distance) C4'-P energy: -51.274
bonds (distance) P-C4' energy: -51.012
flat angles C4'-P-C4' energy: -61.825
flat angles P-C4'-P energy: -31.909
tors. eta vs tors. theta energy: -73.255
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: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -874.938193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.938193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.938193 (E_RNA)
where:
Base-Base interactions energy: -597.156
where: short stacking energy: -261.320
Base-Backbone interact. energy: -0.890
local terms energy: -276.891319
where:
bonds (distance) C4'-P energy: -50.259
bonds (distance) P-C4' energy: -58.008
flat angles C4'-P-C4' energy: -59.806
flat angles P-C4'-P energy: -34.219
tors. eta vs tors. theta energy: -74.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -801.059401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.059401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.059401 (E_RNA)
where:
Base-Base interactions energy: -528.533
where: short stacking energy: -242.831
Base-Backbone interact. energy: -2.697
local terms energy: -269.829638
where:
bonds (distance) C4'-P energy: -41.685
bonds (distance) P-C4' energy: -53.675
flat angles C4'-P-C4' energy: -58.142
flat angles P-C4'-P energy: -47.904
tors. eta vs tors. theta energy: -68.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -726.475716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.475716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.475716 (E_RNA)
where:
Base-Base interactions energy: -462.696
where: short stacking energy: -210.817
Base-Backbone interact. energy: -1.174
local terms energy: -262.605303
where:
bonds (distance) C4'-P energy: -50.565
bonds (distance) P-C4' energy: -52.322
flat angles C4'-P-C4' energy: -57.251
flat angles P-C4'-P energy: -38.754
tors. eta vs tors. theta energy: -63.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -532.943070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.943070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.943070 (E_RNA)
where:
Base-Base interactions energy: -320.275
where: short stacking energy: -166.595
Base-Backbone interact. energy: -0.035
local terms energy: -212.633616
where:
bonds (distance) C4'-P energy: -47.534
bonds (distance) P-C4' energy: -48.557
flat angles C4'-P-C4' energy: -51.488
flat angles P-C4'-P energy: -31.436
tors. eta vs tors. theta energy: -33.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -639.164672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.164672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.164672 (E_RNA)
where:
Base-Base interactions energy: -419.887
where: short stacking energy: -204.825
Base-Backbone interact. energy: -0.998
local terms energy: -218.279742
where:
bonds (distance) C4'-P energy: -29.289
bonds (distance) P-C4' energy: -56.966
flat angles C4'-P-C4' energy: -49.444
flat angles P-C4'-P energy: -25.938
tors. eta vs tors. theta energy: -56.643
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: 1
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -377.468606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.468606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.468606 (E_RNA)
where:
Base-Base interactions energy: -194.430
where: short stacking energy: -109.713
Base-Backbone interact. energy: -1.141
local terms energy: -181.896812
where:
bonds (distance) C4'-P energy: -49.749
bonds (distance) P-C4' energy: -48.483
flat angles C4'-P-C4' energy: -44.468
flat angles P-C4'-P energy: -22.662
tors. eta vs tors. theta energy: -16.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -339.071868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.071868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.071868 (E_RNA)
where:
Base-Base interactions energy: -159.663
where: short stacking energy: -86.121
Base-Backbone interact. energy: 2.738
local terms energy: -182.146261
where:
bonds (distance) C4'-P energy: -54.794
bonds (distance) P-C4' energy: -50.889
flat angles C4'-P-C4' energy: -43.836
flat angles P-C4'-P energy: -21.891
tors. eta vs tors. theta energy: -10.737
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: 4
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1023.719923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.719923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.719923 (E_RNA)
where:
Base-Base interactions energy: -715.975
where: short stacking energy: -292.487
Base-Backbone interact. energy: -0.850
local terms energy: -306.894525
where:
bonds (distance) C4'-P energy: -59.106
bonds (distance) P-C4' energy: -57.271
flat angles C4'-P-C4' energy: -63.367
flat angles P-C4'-P energy: -41.480
tors. eta vs tors. theta energy: -85.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -962.112174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.112174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.112174 (E_RNA)
where:
Base-Base interactions energy: -686.452
where: short stacking energy: -296.687
Base-Backbone interact. energy: 1.627
local terms energy: -277.286784
where:
bonds (distance) C4'-P energy: -46.153
bonds (distance) P-C4' energy: -38.098
flat angles C4'-P-C4' energy: -67.062
flat angles P-C4'-P energy: -38.847
tors. eta vs tors. theta energy: -87.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -901.318169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.318169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.318169 (E_RNA)
where:
Base-Base interactions energy: -598.660
where: short stacking energy: -265.227
Base-Backbone interact. energy: -0.661
local terms energy: -301.997013
where:
bonds (distance) C4'-P energy: -58.364
bonds (distance) P-C4' energy: -58.287
flat angles C4'-P-C4' energy: -66.382
flat angles P-C4'-P energy: -41.332
tors. eta vs tors. theta energy: -77.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -903.052639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.052639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.052639 (E_RNA)
where:
Base-Base interactions energy: -616.847
where: short stacking energy: -273.390
Base-Backbone interact. energy: -1.276
local terms energy: -284.930003
where:
bonds (distance) C4'-P energy: -55.458
bonds (distance) P-C4' energy: -49.096
flat angles C4'-P-C4' energy: -57.370
flat angles P-C4'-P energy: -39.949
tors. eta vs tors. theta energy: -83.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -794.553255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.553255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.553255 (E_RNA)
where:
Base-Base interactions energy: -530.382
where: short stacking energy: -242.201
Base-Backbone interact. energy: 0.157
local terms energy: -264.328859
where:
bonds (distance) C4'-P energy: -46.822
bonds (distance) P-C4' energy: -51.394
flat angles C4'-P-C4' energy: -54.021
flat angles P-C4'-P energy: -40.516
tors. eta vs tors. theta energy: -71.576
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: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -724.380098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.380098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.380098 (E_RNA)
where:
Base-Base interactions energy: -472.711
where: short stacking energy: -217.333
Base-Backbone interact. energy: -0.954
local terms energy: -250.714424
where:
bonds (distance) C4'-P energy: -51.272
bonds (distance) P-C4' energy: -46.430
flat angles C4'-P-C4' energy: -55.230
flat angles P-C4'-P energy: -34.057
tors. eta vs tors. theta energy: -63.726
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: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -520.618831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.618831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.618831 (E_RNA)
where:
Base-Base interactions energy: -319.900
where: short stacking energy: -172.561
Base-Backbone interact. energy: -0.390
local terms energy: -200.328720
where:
bonds (distance) C4'-P energy: -47.363
bonds (distance) P-C4' energy: -45.613
flat angles C4'-P-C4' energy: -55.829
flat angles P-C4'-P energy: -20.439
tors. eta vs tors. theta energy: -31.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -587.184259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.184259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.184259 (E_RNA)
where:
Base-Base interactions energy: -373.189
where: short stacking energy: -150.719
Base-Backbone interact. energy: -0.470
local terms energy: -213.526088
where:
bonds (distance) C4'-P energy: -45.846
bonds (distance) P-C4' energy: -50.236
flat angles C4'-P-C4' energy: -57.144
flat angles P-C4'-P energy: -27.428
tors. eta vs tors. theta energy: -32.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -443.813189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.813189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.813189 (E_RNA)
where:
Base-Base interactions energy: -249.742
where: short stacking energy: -122.855
Base-Backbone interact. energy: -1.484
local terms energy: -192.587730
where:
bonds (distance) C4'-P energy: -47.888
bonds (distance) P-C4' energy: -39.004
flat angles C4'-P-C4' energy: -53.577
flat angles P-C4'-P energy: -31.987
tors. eta vs tors. theta energy: -20.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -344.155212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.155212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.155212 (E_RNA)
where:
Base-Base interactions energy: -185.063
where: short stacking energy: -106.111
Base-Backbone interact. energy: -0.375
local terms energy: -158.716943
where:
bonds (distance) C4'-P energy: -41.741
bonds (distance) P-C4' energy: -38.861
flat angles C4'-P-C4' energy: -41.497
flat angles P-C4'-P energy: -27.420
tors. eta vs tors. theta energy: -9.198
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: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1016.458902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.458902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.458902 (E_RNA)
where:
Base-Base interactions energy: -718.737
where: short stacking energy: -290.112
Base-Backbone interact. energy: 0.445
local terms energy: -298.167214
where:
bonds (distance) C4'-P energy: -50.162
bonds (distance) P-C4' energy: -58.561
flat angles C4'-P-C4' energy: -61.878
flat angles P-C4'-P energy: -41.931
tors. eta vs tors. theta energy: -85.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -964.128749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.128749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.128749 (E_RNA)
where:
Base-Base interactions energy: -670.371
where: short stacking energy: -278.639
Base-Backbone interact. energy: 1.199
local terms energy: -294.955973
where:
bonds (distance) C4'-P energy: -51.039
bonds (distance) P-C4' energy: -60.413
flat angles C4'-P-C4' energy: -61.358
flat angles P-C4'-P energy: -38.619
tors. eta vs tors. theta energy: -83.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -910.243722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.243722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.243722 (E_RNA)
where:
Base-Base interactions energy: -630.439
where: short stacking energy: -271.005
Base-Backbone interact. energy: -2.790
local terms energy: -277.014719
where:
bonds (distance) C4'-P energy: -52.010
bonds (distance) P-C4' energy: -42.005
flat angles C4'-P-C4' energy: -58.970
flat angles P-C4'-P energy: -44.380
tors. eta vs tors. theta energy: -79.649
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: 8
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -877.443848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.443848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.443848 (E_RNA)
where:
Base-Base interactions energy: -599.152
where: short stacking energy: -264.909
Base-Backbone interact. energy: 1.835
local terms energy: -280.126590
where:
bonds (distance) C4'-P energy: -45.400
bonds (distance) P-C4' energy: -55.586
flat angles C4'-P-C4' energy: -63.408
flat angles P-C4'-P energy: -38.006
tors. eta vs tors. theta energy: -77.727
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: 6
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -777.309255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.309255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.309255 (E_RNA)
where:
Base-Base interactions energy: -520.502
where: short stacking energy: -253.570
Base-Backbone interact. energy: -1.654
local terms energy: -255.153597
where:
bonds (distance) C4'-P energy: -48.566
bonds (distance) P-C4' energy: -53.839
flat angles C4'-P-C4' energy: -50.844
flat angles P-C4'-P energy: -31.715
tors. eta vs tors. theta energy: -70.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -689.178090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.178090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.178090 (E_RNA)
where:
Base-Base interactions energy: -437.448
where: short stacking energy: -210.281
Base-Backbone interact. energy: -1.612
local terms energy: -250.118414
where:
bonds (distance) C4'-P energy: -48.357
bonds (distance) P-C4' energy: -48.835
flat angles C4'-P-C4' energy: -59.676
flat angles P-C4'-P energy: -41.156
tors. eta vs tors. theta energy: -52.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -683.403015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.403015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.403015 (E_RNA)
where:
Base-Base interactions energy: -451.733
where: short stacking energy: -213.799
Base-Backbone interact. energy: -1.126
local terms energy: -230.543798
where:
bonds (distance) C4'-P energy: -53.010
bonds (distance) P-C4' energy: -45.366
flat angles C4'-P-C4' energy: -48.465
flat angles P-C4'-P energy: -27.080
tors. eta vs tors. theta energy: -56.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -494.660913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.660913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.660913 (E_RNA)
where:
Base-Base interactions energy: -295.290
where: short stacking energy: -149.631
Base-Backbone interact. energy: -0.686
local terms energy: -198.684597
where:
bonds (distance) C4'-P energy: -46.343
bonds (distance) P-C4' energy: -56.541
flat angles C4'-P-C4' energy: -44.004
flat angles P-C4'-P energy: -25.973
tors. eta vs tors. theta energy: -25.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -469.658064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.658064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.658064 (E_RNA)
where:
Base-Base interactions energy: -265.268
where: short stacking energy: -133.717
Base-Backbone interact. energy: -2.457
local terms energy: -201.933161
where:
bonds (distance) C4'-P energy: -52.263
bonds (distance) P-C4' energy: -43.222
flat angles C4'-P-C4' energy: -52.969
flat angles P-C4'-P energy: -36.110
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: 9
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -345.294817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.294817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.294817 (E_RNA)
where:
Base-Base interactions energy: -178.568
where: short stacking energy: -111.568
Base-Backbone interact. energy: -1.393
local terms energy: -165.334637
where:
bonds (distance) C4'-P energy: -54.651
bonds (distance) P-C4' energy: -41.843
flat angles C4'-P-C4' energy: -39.522
flat angles P-C4'-P energy: -16.134
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1005.301684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.301684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.301684 (E_RNA)
where:
Base-Base interactions energy: -695.667
where: short stacking energy: -300.664
Base-Backbone interact. energy: -1.294
local terms energy: -308.340862
where:
bonds (distance) C4'-P energy: -54.547
bonds (distance) P-C4' energy: -51.314
flat angles C4'-P-C4' energy: -67.951
flat angles P-C4'-P energy: -47.860
tors. eta vs tors. theta energy: -86.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -955.826770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.826770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.826770 (E_RNA)
where:
Base-Base interactions energy: -672.668
where: short stacking energy: -282.744
Base-Backbone interact. energy: -1.425
local terms energy: -281.733492
where:
bonds (distance) C4'-P energy: -51.840
bonds (distance) P-C4' energy: -49.508
flat angles C4'-P-C4' energy: -63.928
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -82.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -911.286866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.286866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.286866 (E_RNA)
where:
Base-Base interactions energy: -621.668
where: short stacking energy: -269.870
Base-Backbone interact. energy: -1.301
local terms energy: -288.317974
where:
bonds (distance) C4'-P energy: -55.268
bonds (distance) P-C4' energy: -57.898
flat angles C4'-P-C4' energy: -56.761
flat angles P-C4'-P energy: -37.820
tors. eta vs tors. theta energy: -80.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -882.651839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.651839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.651839 (E_RNA)
where:
Base-Base interactions energy: -609.082
where: short stacking energy: -277.692
Base-Backbone interact. energy: -1.074
local terms energy: -272.495631
where:
bonds (distance) C4'-P energy: -50.345
bonds (distance) P-C4' energy: -51.033
flat angles C4'-P-C4' energy: -56.993
flat angles P-C4'-P energy: -35.473
tors. eta vs tors. theta energy: -78.651
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: 6
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -786.022398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.022398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.022398 (E_RNA)
where:
Base-Base interactions energy: -522.325
where: short stacking energy: -229.615
Base-Backbone interact. energy: 0.194
local terms energy: -263.890878
where:
bonds (distance) C4'-P energy: -53.123
bonds (distance) P-C4' energy: -62.648
flat angles C4'-P-C4' energy: -56.948
flat angles P-C4'-P energy: -30.299
tors. eta vs tors. theta energy: -60.873
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: 5
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -746.460667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.460667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.460667 (E_RNA)
where:
Base-Base interactions energy: -495.548
where: short stacking energy: -228.086
Base-Backbone interact. energy: -0.247
local terms energy: -250.665937
where:
bonds (distance) C4'-P energy: -58.796
bonds (distance) P-C4' energy: -53.404
flat angles C4'-P-C4' energy: -48.942
flat angles P-C4'-P energy: -35.025
tors. eta vs tors. theta energy: -54.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -666.587595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.587595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.587595 (E_RNA)
where:
Base-Base interactions energy: -408.011
where: short stacking energy: -193.132
Base-Backbone interact. energy: -0.875
local terms energy: -257.701758
where:
bonds (distance) C4'-P energy: -49.233
bonds (distance) P-C4' energy: -53.622
flat angles C4'-P-C4' energy: -57.145
flat angles P-C4'-P energy: -44.944
tors. eta vs tors. theta energy: -52.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -467.143029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.143029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.143029 (E_RNA)
where:
Base-Base interactions energy: -279.552
where: short stacking energy: -140.765
Base-Backbone interact. energy: -1.645
local terms energy: -185.946926
where:
bonds (distance) C4'-P energy: -46.483
bonds (distance) P-C4' energy: -44.264
flat angles C4'-P-C4' energy: -45.580
flat angles P-C4'-P energy: -27.535
tors. eta vs tors. theta energy: -22.085
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: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -472.804452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.804452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.804452 (E_RNA)
where:
Base-Base interactions energy: -280.028
where: short stacking energy: -143.709
Base-Backbone interact. energy: 0.167
local terms energy: -192.944096
where:
bonds (distance) C4'-P energy: -50.155
bonds (distance) P-C4' energy: -42.765
flat angles C4'-P-C4' energy: -47.049
flat angles P-C4'-P energy: -29.238
tors. eta vs tors. theta energy: -23.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -356.299229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.299229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.299229 (E_RNA)
where:
Base-Base interactions energy: -189.793
where: short stacking energy: -92.485
Base-Backbone interact. energy: -1.736
local terms energy: -164.770106
where:
bonds (distance) C4'-P energy: -51.890
bonds (distance) P-C4' energy: -52.268
flat angles C4'-P-C4' energy: -36.253
flat angles P-C4'-P energy: -22.911
tors. eta vs tors. theta energy: -1.448
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: 1, replica: 4
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1024.868502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.868502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.868502 (E_RNA)
where:
Base-Base interactions energy: -716.438
where: short stacking energy: -303.059
Base-Backbone interact. energy: -0.846
local terms energy: -307.584125
where:
bonds (distance) C4'-P energy: -50.975
bonds (distance) P-C4' energy: -58.914
flat angles C4'-P-C4' energy: -68.099
flat angles P-C4'-P energy: -43.358
tors. eta vs tors. theta energy: -86.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -952.809293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.809293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.809293 (E_RNA)
where:
Base-Base interactions energy: -664.552
where: short stacking energy: -289.420
Base-Backbone interact. energy: -0.410
local terms energy: -287.847582
where:
bonds (distance) C4'-P energy: -53.704
bonds (distance) P-C4' energy: -49.764
flat angles C4'-P-C4' energy: -62.809
flat angles P-C4'-P energy: -40.860
tors. eta vs tors. theta energy: -80.711
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: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -903.663555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.663555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.663555 (E_RNA)
where:
Base-Base interactions energy: -628.338
where: short stacking energy: -266.919
Base-Backbone interact. energy: -0.641
local terms energy: -274.683782
where:
bonds (distance) C4'-P energy: -53.056
bonds (distance) P-C4' energy: -39.839
flat angles C4'-P-C4' energy: -64.495
flat angles P-C4'-P energy: -41.918
tors. eta vs tors. theta energy: -75.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -886.128305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.128305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.128305 (E_RNA)
where:
Base-Base interactions energy: -602.889
where: short stacking energy: -264.407
Base-Backbone interact. energy: -1.816
local terms energy: -281.422817
where:
bonds (distance) C4'-P energy: -47.349
bonds (distance) P-C4' energy: -58.402
flat angles C4'-P-C4' energy: -67.182
flat angles P-C4'-P energy: -27.885
tors. eta vs tors. theta energy: -80.603
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: 6
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -800.421729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.421729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.421729 (E_RNA)
where:
Base-Base interactions energy: -524.220
where: short stacking energy: -248.280
Base-Backbone interact. energy: 1.636
local terms energy: -277.838482
where:
bonds (distance) C4'-P energy: -53.994
bonds (distance) P-C4' energy: -52.013
flat angles C4'-P-C4' energy: -59.871
flat angles P-C4'-P energy: -39.260
tors. eta vs tors. theta energy: -72.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -733.298438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.298438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.298438 (E_RNA)
where:
Base-Base interactions energy: -477.251
where: short stacking energy: -212.751
Base-Backbone interact. energy: -1.374
local terms energy: -254.673573
where:
bonds (distance) C4'-P energy: -50.984
bonds (distance) P-C4' energy: -49.259
flat angles C4'-P-C4' energy: -61.164
flat angles P-C4'-P energy: -36.902
tors. eta vs tors. theta energy: -56.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -656.774130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.774130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.774130 (E_RNA)
where:
Base-Base interactions energy: -431.240
where: short stacking energy: -193.822
Base-Backbone interact. energy: -1.340
local terms energy: -224.193802
where:
bonds (distance) C4'-P energy: -39.651
bonds (distance) P-C4' energy: -44.562
flat angles C4'-P-C4' energy: -57.392
flat angles P-C4'-P energy: -24.150
tors. eta vs tors. theta energy: -58.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -483.582294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.582294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.582294 (E_RNA)
where:
Base-Base interactions energy: -279.493
where: short stacking energy: -132.798
Base-Backbone interact. energy: -1.215
local terms energy: -202.874705
where:
bonds (distance) C4'-P energy: -46.028
bonds (distance) P-C4' energy: -50.252
flat angles C4'-P-C4' energy: -38.879
flat angles P-C4'-P energy: -33.963
tors. eta vs tors. theta energy: -33.752
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: 9, replica: 10
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -449.999131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.999131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.999131 (E_RNA)
where:
Base-Base interactions energy: -245.662
where: short stacking energy: -108.314
Base-Backbone interact. energy: 1.778
local terms energy: -206.114776
where:
bonds (distance) C4'-P energy: -53.893
bonds (distance) P-C4' energy: -52.433
flat angles C4'-P-C4' energy: -53.260
flat angles P-C4'-P energy: -30.565
tors. eta vs tors. theta energy: -15.963
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: 9
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -329.960850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.960850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.960850 (E_RNA)
where:
Base-Base interactions energy: -164.529
where: short stacking energy: -99.410
Base-Backbone interact. energy: -0.578
local terms energy: -164.853887
where:
bonds (distance) C4'-P energy: -39.562
bonds (distance) P-C4' energy: -55.413
flat angles C4'-P-C4' energy: -41.950
flat angles P-C4'-P energy: -25.330
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -988.335016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.335016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.335016 (E_RNA)
where:
Base-Base interactions energy: -685.301
where: short stacking energy: -278.105
Base-Backbone interact. energy: -0.747
local terms energy: -302.286887
where:
bonds (distance) C4'-P energy: -58.757
bonds (distance) P-C4' energy: -61.347
flat angles C4'-P-C4' energy: -63.806
flat angles P-C4'-P energy: -39.473
tors. eta vs tors. theta energy: -78.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -952.123701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.123701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.123701 (E_RNA)
where:
Base-Base interactions energy: -660.080
where: short stacking energy: -293.418
Base-Backbone interact. energy: -2.539
local terms energy: -289.504340
where:
bonds (distance) C4'-P energy: -52.662
bonds (distance) P-C4' energy: -49.842
flat angles C4'-P-C4' energy: -63.745
flat angles P-C4'-P energy: -39.268
tors. eta vs tors. theta energy: -83.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -908.898658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.898658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.898658 (E_RNA)
where:
Base-Base interactions energy: -604.048
where: short stacking energy: -291.014
Base-Backbone interact. energy: -2.250
local terms energy: -302.600514
where:
bonds (distance) C4'-P energy: -58.859
bonds (distance) P-C4' energy: -54.229
flat angles C4'-P-C4' energy: -66.712
flat angles P-C4'-P energy: -40.282
tors. eta vs tors. theta energy: -82.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -818.847254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.847254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.847254 (E_RNA)
where:
Base-Base interactions energy: -541.530
where: short stacking energy: -256.233
Base-Backbone interact. energy: -0.836
local terms energy: -276.481428
where:
bonds (distance) C4'-P energy: -54.360
bonds (distance) P-C4' energy: -49.550
flat angles C4'-P-C4' energy: -61.565
flat angles P-C4'-P energy: -40.157
tors. eta vs tors. theta energy: -70.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -863.140538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.140538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.140538 (E_RNA)
where:
Base-Base interactions energy: -584.332
where: short stacking energy: -253.164
Base-Backbone interact. energy: -0.982
local terms energy: -277.826521
where:
bonds (distance) C4'-P energy: -49.281
bonds (distance) P-C4' energy: -54.084
flat angles C4'-P-C4' energy: -59.208
flat angles P-C4'-P energy: -35.481
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: 6, replica: 5
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -701.069424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.069424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.069424 (E_RNA)
where:
Base-Base interactions energy: -459.377
where: short stacking energy: -210.103
Base-Backbone interact. energy: -0.299
local terms energy: -241.393652
where:
bonds (distance) C4'-P energy: -32.373
bonds (distance) P-C4' energy: -47.641
flat angles C4'-P-C4' energy: -54.410
flat angles P-C4'-P energy: -42.908
tors. eta vs tors. theta energy: -64.062
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: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -647.082358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.082358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.082358 (E_RNA)
where:
Base-Base interactions energy: -411.105
where: short stacking energy: -199.262
Base-Backbone interact. energy: -0.612
local terms energy: -235.365038
where:
bonds (distance) C4'-P energy: -44.716
bonds (distance) P-C4' energy: -49.263
flat angles C4'-P-C4' energy: -52.389
flat angles P-C4'-P energy: -38.048
tors. eta vs tors. theta energy: -50.950
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: 10
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -505.408281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.408281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.408281 (E_RNA)
where:
Base-Base interactions energy: -322.339
where: short stacking energy: -153.058
Base-Backbone interact. energy: -2.095
local terms energy: -180.974943
where:
bonds (distance) C4'-P energy: -28.659
bonds (distance) P-C4' energy: -50.567
flat angles C4'-P-C4' energy: -53.595
flat angles P-C4'-P energy: -31.233
tors. eta vs tors. theta energy: -16.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -479.957226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.957226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.957226 (E_RNA)
where:
Base-Base interactions energy: -301.240
where: short stacking energy: -150.808
Base-Backbone interact. energy: -1.582
local terms energy: -177.135393
where:
bonds (distance) C4'-P energy: -32.963
bonds (distance) P-C4' energy: -51.693
flat angles C4'-P-C4' energy: -45.740
flat angles P-C4'-P energy: -28.253
tors. eta vs tors. theta energy: -18.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -378.070245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.070245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.070245 (E_RNA)
where:
Base-Base interactions energy: -190.695
where: short stacking energy: -121.340
Base-Backbone interact. energy: -0.240
local terms energy: -187.135094
where:
bonds (distance) C4'-P energy: -47.065
bonds (distance) P-C4' energy: -49.820
flat angles C4'-P-C4' energy: -44.742
flat angles P-C4'-P energy: -35.443
tors. eta vs tors. theta energy: -10.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -993.085276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.085276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.085276 (E_RNA)
where:
Base-Base interactions energy: -683.589
where: short stacking energy: -268.087
Base-Backbone interact. energy: -0.819
local terms energy: -308.676674
where:
bonds (distance) C4'-P energy: -55.455
bonds (distance) P-C4' energy: -59.637
flat angles C4'-P-C4' energy: -64.973
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -84.885
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: 7
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -961.591182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.591182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.591182 (E_RNA)
where:
Base-Base interactions energy: -671.116
where: short stacking energy: -268.922
Base-Backbone interact. energy: 1.443
local terms energy: -291.918782
where:
bonds (distance) C4'-P energy: -53.310
bonds (distance) P-C4' energy: -53.743
flat angles C4'-P-C4' energy: -60.082
flat angles P-C4'-P energy: -41.647
tors. eta vs tors. theta energy: -83.136
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: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -899.675755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.675755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.675755 (E_RNA)
where:
Base-Base interactions energy: -602.926
where: short stacking energy: -277.699
Base-Backbone interact. energy: -1.497
local terms energy: -295.253272
where:
bonds (distance) C4'-P energy: -57.306
bonds (distance) P-C4' energy: -59.903
flat angles C4'-P-C4' energy: -53.731
flat angles P-C4'-P energy: -38.615
tors. eta vs tors. theta energy: -85.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -823.929362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.929362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.929362 (E_RNA)
where:
Base-Base interactions energy: -546.851
where: short stacking energy: -226.198
Base-Backbone interact. energy: -2.419
local terms energy: -274.658604
where:
bonds (distance) C4'-P energy: -52.858
bonds (distance) P-C4' energy: -47.850
flat angles C4'-P-C4' energy: -64.708
flat angles P-C4'-P energy: -36.395
tors. eta vs tors. theta energy: -72.848
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: 74
Temperature: 1.100000
Total energy: -853.757964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.757964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.757964 (E_RNA)
where:
Base-Base interactions energy: -572.617
where: short stacking energy: -239.452
Base-Backbone interact. energy: -2.640
local terms energy: -278.500843
where:
bonds (distance) C4'-P energy: -56.857
bonds (distance) P-C4' energy: -50.070
flat angles C4'-P-C4' energy: -56.443
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -80.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -704.156316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.156316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.156316 (E_RNA)
where:
Base-Base interactions energy: -449.143
where: short stacking energy: -197.887
Base-Backbone interact. energy: -0.346
local terms energy: -254.667314
where:
bonds (distance) C4'-P energy: -49.232
bonds (distance) P-C4' energy: -54.100
flat angles C4'-P-C4' energy: -56.286
flat angles P-C4'-P energy: -37.470
tors. eta vs tors. theta energy: -57.579
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: 7, replica: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -641.332023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.332023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.332023 (E_RNA)
where:
Base-Base interactions energy: -406.917
where: short stacking energy: -197.701
Base-Backbone interact. energy: -0.380
local terms energy: -234.034928
where:
bonds (distance) C4'-P energy: -50.680
bonds (distance) P-C4' energy: -52.920
flat angles C4'-P-C4' energy: -51.709
flat angles P-C4'-P energy: -32.579
tors. eta vs tors. theta energy: -46.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -479.543513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.543513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.543513 (E_RNA)
where:
Base-Base interactions energy: -304.991
where: short stacking energy: -137.766
Base-Backbone interact. energy: -1.069
local terms energy: -173.484052
where:
bonds (distance) C4'-P energy: -43.277
bonds (distance) P-C4' energy: -57.028
flat angles C4'-P-C4' energy: -45.035
flat angles P-C4'-P energy: -14.455
tors. eta vs tors. theta energy: -13.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -469.967841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.967841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.967841 (E_RNA)
where:
Base-Base interactions energy: -277.647
where: short stacking energy: -135.613
Base-Backbone interact. energy: -2.212
local terms energy: -190.108797
where:
bonds (distance) C4'-P energy: -44.154
bonds (distance) P-C4' energy: -46.270
flat angles C4'-P-C4' energy: -51.111
flat angles P-C4'-P energy: -27.500
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -374.808714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.808714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.808714 (E_RNA)
where:
Base-Base interactions energy: -213.988
where: short stacking energy: -126.372
Base-Backbone interact. energy: -0.123
local terms energy: -160.698031
where:
bonds (distance) C4'-P energy: -38.238
bonds (distance) P-C4' energy: -47.405
flat angles C4'-P-C4' energy: -43.792
flat angles P-C4'-P energy: -22.346
tors. eta vs tors. theta energy: -8.917
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: 4
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1006.732879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.732879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.732879 (E_RNA)
where:
Base-Base interactions energy: -705.364
where: short stacking energy: -278.446
Base-Backbone interact. energy: -0.575
local terms energy: -300.793691
where:
bonds (distance) C4'-P energy: -49.886
bonds (distance) P-C4' energy: -56.929
flat angles C4'-P-C4' energy: -65.169
flat angles P-C4'-P energy: -41.024
tors. eta vs tors. theta energy: -87.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -990.073463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.073463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.073463 (E_RNA)
where:
Base-Base interactions energy: -682.623
where: short stacking energy: -285.795
Base-Backbone interact. energy: -0.901
local terms energy: -306.549759
where:
bonds (distance) C4'-P energy: -54.918
bonds (distance) P-C4' energy: -60.967
flat angles C4'-P-C4' energy: -62.639
flat angles P-C4'-P energy: -42.445
tors. eta vs tors. theta energy: -85.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -908.670798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.670798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.670798 (E_RNA)
where:
Base-Base interactions energy: -620.144
where: short stacking energy: -280.856
Base-Backbone interact. energy: -1.152
local terms energy: -287.374964
where:
bonds (distance) C4'-P energy: -55.575
bonds (distance) P-C4' energy: -61.181
flat angles C4'-P-C4' energy: -56.973
flat angles P-C4'-P energy: -39.445
tors. eta vs tors. theta energy: -74.201
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: 2
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -870.833113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.833113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.833113 (E_RNA)
where:
Base-Base interactions energy: -585.526
where: short stacking energy: -266.458
Base-Backbone interact. energy: -0.796
local terms energy: -284.511805
where:
bonds (distance) C4'-P energy: -46.416
bonds (distance) P-C4' energy: -61.323
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -35.995
tors. eta vs tors. theta energy: -83.195
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: 75
Temperature: 1.100000
Total energy: -791.086300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.086300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.086300 (E_RNA)
where:
Base-Base interactions energy: -517.283
where: short stacking energy: -214.767
Base-Backbone interact. energy: -2.789
local terms energy: -271.014275
where:
bonds (distance) C4'-P energy: -57.162
bonds (distance) P-C4' energy: -54.091
flat angles C4'-P-C4' energy: -50.194
flat angles P-C4'-P energy: -39.855
tors. eta vs tors. theta energy: -69.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -665.273036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.273036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.273036 (E_RNA)
where:
Base-Base interactions energy: -435.190
where: short stacking energy: -202.781
Base-Backbone interact. energy: -0.434
local terms energy: -229.648292
where:
bonds (distance) C4'-P energy: -52.739
bonds (distance) P-C4' energy: -41.901
flat angles C4'-P-C4' energy: -53.429
flat angles P-C4'-P energy: -37.155
tors. eta vs tors. theta energy: -44.425
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: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -677.145641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.145641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.145641 (E_RNA)
where:
Base-Base interactions energy: -452.200
where: short stacking energy: -198.002
Base-Backbone interact. energy: -2.020
local terms energy: -222.926095
where:
bonds (distance) C4'-P energy: -40.303
bonds (distance) P-C4' energy: -40.684
flat angles C4'-P-C4' energy: -57.611
flat angles P-C4'-P energy: -41.054
tors. eta vs tors. theta energy: -43.274
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: 75
Temperature: 1.250000
Total energy: -521.697419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.697419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.697419 (E_RNA)
where:
Base-Base interactions energy: -316.575
where: short stacking energy: -155.278
Base-Backbone interact. energy: 0.723
local terms energy: -205.845377
where:
bonds (distance) C4'-P energy: -47.546
bonds (distance) P-C4' energy: -48.420
flat angles C4'-P-C4' energy: -50.727
flat angles P-C4'-P energy: -34.983
tors. eta vs tors. theta energy: -24.169
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: 1
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -463.976759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.976759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.976759 (E_RNA)
where:
Base-Base interactions energy: -281.395
where: short stacking energy: -141.413
Base-Backbone interact. energy: -1.257
local terms energy: -181.324705
where:
bonds (distance) C4'-P energy: -41.923
bonds (distance) P-C4' energy: -50.329
flat angles C4'-P-C4' energy: -41.210
flat angles P-C4'-P energy: -26.876
tors. eta vs tors. theta energy: -20.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -382.434865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.434865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.434865 (E_RNA)
where:
Base-Base interactions energy: -227.019
where: short stacking energy: -126.308
Base-Backbone interact. energy: -0.010
local terms energy: -155.405890
where:
bonds (distance) C4'-P energy: -38.525
bonds (distance) P-C4' energy: -48.372
flat angles C4'-P-C4' energy: -36.759
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -15.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1019.852305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.852305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.852305 (E_RNA)
where:
Base-Base interactions energy: -699.200
where: short stacking energy: -278.030
Base-Backbone interact. energy: 1.376
local terms energy: -322.028233
where:
bonds (distance) C4'-P energy: -50.974
bonds (distance) P-C4' energy: -63.509
flat angles C4'-P-C4' energy: -67.302
flat angles P-C4'-P energy: -50.887
tors. eta vs tors. theta energy: -89.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -971.168774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.168774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.168774 (E_RNA)
where:
Base-Base interactions energy: -678.765
where: short stacking energy: -288.636
Base-Backbone interact. energy: -1.255
local terms energy: -291.148928
where:
bonds (distance) C4'-P energy: -55.460
bonds (distance) P-C4' energy: -52.768
flat angles C4'-P-C4' energy: -61.203
flat angles P-C4'-P energy: -36.414
tors. eta vs tors. theta energy: -85.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -875.006800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.006800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.006800 (E_RNA)
where:
Base-Base interactions energy: -589.799
where: short stacking energy: -258.438
Base-Backbone interact. energy: -1.110
local terms energy: -284.097377
where:
bonds (distance) C4'-P energy: -58.914
bonds (distance) P-C4' energy: -53.979
flat angles C4'-P-C4' energy: -54.469
flat angles P-C4'-P energy: -39.833
tors. eta vs tors. theta energy: -76.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -903.757181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.757181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.757181 (E_RNA)
where:
Base-Base interactions energy: -629.429
where: short stacking energy: -272.408
Base-Backbone interact. energy: -1.923
local terms energy: -272.405539
where:
bonds (distance) C4'-P energy: -41.948
bonds (distance) P-C4' energy: -45.673
flat angles C4'-P-C4' energy: -65.196
flat angles P-C4'-P energy: -43.053
tors. eta vs tors. theta energy: -76.535
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: 6
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -785.891396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.891396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.891396 (E_RNA)
where:
Base-Base interactions energy: -523.121
where: short stacking energy: -228.348
Base-Backbone interact. energy: 0.038
local terms energy: -262.808423
where:
bonds (distance) C4'-P energy: -45.323
bonds (distance) P-C4' energy: -59.991
flat angles C4'-P-C4' energy: -56.237
flat angles P-C4'-P energy: -39.028
tors. eta vs tors. theta energy: -62.231
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: 6, replica: 3
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -668.296352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.296352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.296352 (E_RNA)
where:
Base-Base interactions energy: -427.431
where: short stacking energy: -188.321
Base-Backbone interact. energy: -1.846
local terms energy: -239.019361
where:
bonds (distance) C4'-P energy: -43.680
bonds (distance) P-C4' energy: -54.219
flat angles C4'-P-C4' energy: -57.334
flat angles P-C4'-P energy: -36.193
tors. eta vs tors. theta energy: -47.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -659.393644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.393644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.393644 (E_RNA)
where:
Base-Base interactions energy: -438.369
where: short stacking energy: -189.909
Base-Backbone interact. energy: 3.095
local terms energy: -224.119584
where:
bonds (distance) C4'-P energy: -46.184
bonds (distance) P-C4' energy: -40.868
flat angles C4'-P-C4' energy: -57.079
flat angles P-C4'-P energy: -27.051
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: 8, replica: 10
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -516.269417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.269417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.269417 (E_RNA)
where:
Base-Base interactions energy: -305.473
where: short stacking energy: -158.818
Base-Backbone interact. energy: -0.899
local terms energy: -209.897374
where:
bonds (distance) C4'-P energy: -39.542
bonds (distance) P-C4' energy: -50.452
flat angles C4'-P-C4' energy: -53.342
flat angles P-C4'-P energy: -36.499
tors. eta vs tors. theta energy: -30.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -382.796172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.796172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.796172 (E_RNA)
where:
Base-Base interactions energy: -188.276
where: short stacking energy: -99.891
Base-Backbone interact. energy: 0.986
local terms energy: -195.505631
where:
bonds (distance) C4'-P energy: -54.442
bonds (distance) P-C4' energy: -54.372
flat angles C4'-P-C4' energy: -47.857
flat angles P-C4'-P energy: -32.118
tors. eta vs tors. theta energy: -6.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -377.894305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.894305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.894305 (E_RNA)
where:
Base-Base interactions energy: -213.365
where: short stacking energy: -114.994
Base-Backbone interact. energy: -0.235
local terms energy: -164.293949
where:
bonds (distance) C4'-P energy: -54.127
bonds (distance) P-C4' energy: -44.721
flat angles C4'-P-C4' energy: -35.423
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -3.595
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: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1009.270354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.270354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.270354 (E_RNA)
where:
Base-Base interactions energy: -702.390
where: short stacking energy: -308.553
Base-Backbone interact. energy: -1.230
local terms energy: -305.651043
where:
bonds (distance) C4'-P energy: -56.923
bonds (distance) P-C4' energy: -49.675
flat angles C4'-P-C4' energy: -69.926
flat angles P-C4'-P energy: -42.969
tors. eta vs tors. theta energy: -86.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -933.027841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.027841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.027841 (E_RNA)
where:
Base-Base interactions energy: -637.969
where: short stacking energy: -286.362
Base-Backbone interact. energy: -0.894
local terms energy: -294.163868
where:
bonds (distance) C4'-P energy: -60.163
bonds (distance) P-C4' energy: -54.521
flat angles C4'-P-C4' energy: -62.025
flat angles P-C4'-P energy: -40.567
tors. eta vs tors. theta energy: -76.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -897.714424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.714424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.714424 (E_RNA)
where:
Base-Base interactions energy: -616.629
where: short stacking energy: -271.418
Base-Backbone interact. energy: -1.909
local terms energy: -279.175739
where:
bonds (distance) C4'-P energy: -47.677
bonds (distance) P-C4' energy: -53.260
flat angles C4'-P-C4' energy: -55.515
flat angles P-C4'-P energy: -43.518
tors. eta vs tors. theta energy: -79.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -874.069333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.069333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.069333 (E_RNA)
where:
Base-Base interactions energy: -588.013
where: short stacking energy: -269.444
Base-Backbone interact. energy: -0.647
local terms energy: -285.409379
where:
bonds (distance) C4'-P energy: -50.154
bonds (distance) P-C4' energy: -60.040
flat angles C4'-P-C4' energy: -56.405
flat angles P-C4'-P energy: -40.544
tors. eta vs tors. theta energy: -78.267
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: 6
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -756.052043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.052043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.052043 (E_RNA)
where:
Base-Base interactions energy: -494.568
where: short stacking energy: -229.645
Base-Backbone interact. energy: -0.582
local terms energy: -260.902421
where:
bonds (distance) C4'-P energy: -53.780
bonds (distance) P-C4' energy: -48.591
flat angles C4'-P-C4' energy: -55.659
flat angles P-C4'-P energy: -40.800
tors. eta vs tors. theta energy: -62.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -697.295091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.295091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.295091 (E_RNA)
where:
Base-Base interactions energy: -447.692
where: short stacking energy: -179.163
Base-Backbone interact. energy: -1.152
local terms energy: -248.451095
where:
bonds (distance) C4'-P energy: -50.998
bonds (distance) P-C4' energy: -62.523
flat angles C4'-P-C4' energy: -49.270
flat angles P-C4'-P energy: -38.397
tors. eta vs tors. theta energy: -47.262
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: 5
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -630.918144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.918144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.918144 (E_RNA)
where:
Base-Base interactions energy: -429.422
where: short stacking energy: -190.708
Base-Backbone interact. energy: 2.316
local terms energy: -203.812455
where:
bonds (distance) C4'-P energy: -50.978
bonds (distance) P-C4' energy: -38.218
flat angles C4'-P-C4' energy: -41.208
flat angles P-C4'-P energy: -33.900
tors. eta vs tors. theta energy: -39.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -530.503734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.503734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.503734 (E_RNA)
where:
Base-Base interactions energy: -318.707
where: short stacking energy: -137.290
Base-Backbone interact. energy: -1.130
local terms energy: -210.666327
where:
bonds (distance) C4'-P energy: -54.791
bonds (distance) P-C4' energy: -52.179
flat angles C4'-P-C4' energy: -46.397
flat angles P-C4'-P energy: -32.933
tors. eta vs tors. theta energy: -24.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -371.967110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.967110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.967110 (E_RNA)
where:
Base-Base interactions energy: -192.236
where: short stacking energy: -115.929
Base-Backbone interact. energy: -0.228
local terms energy: -179.503531
where:
bonds (distance) C4'-P energy: -37.449
bonds (distance) P-C4' energy: -50.043
flat angles C4'-P-C4' energy: -44.729
flat angles P-C4'-P energy: -26.793
tors. eta vs tors. theta energy: -20.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -398.340756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -398.340756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -398.340756 (E_RNA)
where:
Base-Base interactions energy: -227.618
where: short stacking energy: -117.030
Base-Backbone interact. energy: -0.699
local terms energy: -170.023090
where:
bonds (distance) C4'-P energy: -46.093
bonds (distance) P-C4' energy: -48.635
flat angles C4'-P-C4' energy: -53.236
flat angles P-C4'-P energy: -17.247
tors. eta vs tors. theta energy: -4.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1025.898385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.898385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.898385 (E_RNA)
where:
Base-Base interactions energy: -707.375
where: short stacking energy: -308.421
Base-Backbone interact. energy: -2.264
local terms energy: -316.259259
where:
bonds (distance) C4'-P energy: -54.180
bonds (distance) P-C4' energy: -56.602
flat angles C4'-P-C4' energy: -60.485
flat angles P-C4'-P energy: -53.674
tors. eta vs tors. theta energy: -91.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -916.986087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.986087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.986087 (E_RNA)
where:
Base-Base interactions energy: -638.470
where: short stacking energy: -280.006
Base-Backbone interact. energy: -0.575
local terms energy: -277.941644
where:
bonds (distance) C4'-P energy: -46.964
bonds (distance) P-C4' energy: -56.393
flat angles C4'-P-C4' energy: -57.491
flat angles P-C4'-P energy: -38.352
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: 3, replica: 8
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -904.292014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.292014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.292014 (E_RNA)
where:
Base-Base interactions energy: -625.732
where: short stacking energy: -266.293
Base-Backbone interact. energy: -0.817
local terms energy: -277.743453
where:
bonds (distance) C4'-P energy: -52.946
bonds (distance) P-C4' energy: -48.057
flat angles C4'-P-C4' energy: -57.358
flat angles P-C4'-P energy: -48.524
tors. eta vs tors. theta energy: -70.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -889.826615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.826615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.826615 (E_RNA)
where:
Base-Base interactions energy: -591.408
where: short stacking energy: -268.798
Base-Backbone interact. energy: -1.563
local terms energy: -296.856033
where:
bonds (distance) C4'-P energy: -49.267
bonds (distance) P-C4' energy: -54.478
flat angles C4'-P-C4' energy: -64.410
flat angles P-C4'-P energy: -41.840
tors. eta vs tors. theta energy: -86.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -727.388333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.388333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.388333 (E_RNA)
where:
Base-Base interactions energy: -475.592
where: short stacking energy: -211.793
Base-Backbone interact. energy: -0.362
local terms energy: -251.434174
where:
bonds (distance) C4'-P energy: -53.031
bonds (distance) P-C4' energy: -51.711
flat angles C4'-P-C4' energy: -47.361
flat angles P-C4'-P energy: -42.729
tors. eta vs tors. theta energy: -56.602
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: 6, replica: 6
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -715.685741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.685741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.685741 (E_RNA)
where:
Base-Base interactions energy: -475.155
where: short stacking energy: -233.820
Base-Backbone interact. energy: -0.506
local terms energy: -240.024432
where:
bonds (distance) C4'-P energy: -48.515
bonds (distance) P-C4' energy: -49.081
flat angles C4'-P-C4' energy: -37.248
flat angles P-C4'-P energy: -34.592
tors. eta vs tors. theta energy: -70.589
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: 7, replica: 5
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -645.345508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.345508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.345508 (E_RNA)
where:
Base-Base interactions energy: -428.720
where: short stacking energy: -170.885
Base-Backbone interact. energy: -1.292
local terms energy: -215.333676
where:
bonds (distance) C4'-P energy: -58.952
bonds (distance) P-C4' energy: -36.817
flat angles C4'-P-C4' energy: -40.280
flat angles P-C4'-P energy: -37.580
tors. eta vs tors. theta energy: -41.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -513.216758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.216758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.216758 (E_RNA)
where:
Base-Base interactions energy: -316.987
where: short stacking energy: -148.436
Base-Backbone interact. energy: -0.676
local terms energy: -195.552878
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -35.612
flat angles C4'-P-C4' energy: -58.595
flat angles P-C4'-P energy: -30.708
tors. eta vs tors. theta energy: -25.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -437.599872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.599872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.599872 (E_RNA)
where:
Base-Base interactions energy: -241.467
where: short stacking energy: -128.675
Base-Backbone interact. energy: 3.802
local terms energy: -199.935312
where:
bonds (distance) C4'-P energy: -49.054
bonds (distance) P-C4' energy: -52.791
flat angles C4'-P-C4' energy: -46.585
flat angles P-C4'-P energy: -33.284
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: 1
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -369.411584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.411584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.411584 (E_RNA)
where:
Base-Base interactions energy: -199.588
where: short stacking energy: -100.319
Base-Backbone interact. energy: -3.185
local terms energy: -166.639304
where:
bonds (distance) C4'-P energy: -43.836
bonds (distance) P-C4' energy: -45.517
flat angles C4'-P-C4' energy: -46.630
flat angles P-C4'-P energy: -18.790
tors. eta vs tors. theta energy: -11.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1018.138182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.138182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.138182 (E_RNA)
where:
Base-Base interactions energy: -701.903
where: short stacking energy: -291.595
Base-Backbone interact. energy: -1.142
local terms energy: -315.093666
where:
bonds (distance) C4'-P energy: -51.471
bonds (distance) P-C4' energy: -58.492
flat angles C4'-P-C4' energy: -65.290
flat angles P-C4'-P energy: -53.394
tors. eta vs tors. theta energy: -86.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -901.615261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.615261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.615261 (E_RNA)
where:
Base-Base interactions energy: -621.585
where: short stacking energy: -264.214
Base-Backbone interact. energy: -1.553
local terms energy: -278.478108
where:
bonds (distance) C4'-P energy: -53.986
bonds (distance) P-C4' energy: -48.406
flat angles C4'-P-C4' energy: -63.451
flat angles P-C4'-P energy: -37.528
tors. eta vs tors. theta energy: -75.108
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: 8
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -914.042977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.042977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.042977 (E_RNA)
where:
Base-Base interactions energy: -609.642
where: short stacking energy: -286.175
Base-Backbone interact. energy: -0.894
local terms energy: -303.507271
where:
bonds (distance) C4'-P energy: -53.235
bonds (distance) P-C4' energy: -59.468
flat angles C4'-P-C4' energy: -56.537
flat angles P-C4'-P energy: -46.596
tors. eta vs tors. theta energy: -87.671
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: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -854.178026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.178026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.178026 (E_RNA)
where:
Base-Base interactions energy: -586.904
where: short stacking energy: -259.831
Base-Backbone interact. energy: -1.030
local terms energy: -266.243457
where:
bonds (distance) C4'-P energy: -45.326
bonds (distance) P-C4' energy: -54.108
flat angles C4'-P-C4' energy: -55.118
flat angles P-C4'-P energy: -39.599
tors. eta vs tors. theta energy: -72.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -736.977825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.977825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.977825 (E_RNA)
where:
Base-Base interactions energy: -492.205
where: short stacking energy: -222.400
Base-Backbone interact. energy: -0.108
local terms energy: -244.664294
where:
bonds (distance) C4'-P energy: -44.833
bonds (distance) P-C4' energy: -50.498
flat angles C4'-P-C4' energy: -57.331
flat angles P-C4'-P energy: -31.385
tors. eta vs tors. theta energy: -60.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -744.101080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.101080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.101080 (E_RNA)
where:
Base-Base interactions energy: -501.041
where: short stacking energy: -196.849
Base-Backbone interact. energy: -2.020
local terms energy: -241.039923
where:
bonds (distance) C4'-P energy: -53.399
bonds (distance) P-C4' energy: -44.810
flat angles C4'-P-C4' energy: -52.343
flat angles P-C4'-P energy: -35.939
tors. eta vs tors. theta energy: -54.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -651.144327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -651.144327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -651.144327 (E_RNA)
where:
Base-Base interactions energy: -415.208
where: short stacking energy: -185.974
Base-Backbone interact. energy: -0.230
local terms energy: -235.706463
where:
bonds (distance) C4'-P energy: -47.638
bonds (distance) P-C4' energy: -50.230
flat angles C4'-P-C4' energy: -46.324
flat angles P-C4'-P energy: -49.507
tors. eta vs tors. theta energy: -42.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -493.437610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.437610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.437610 (E_RNA)
where:
Base-Base interactions energy: -295.857
where: short stacking energy: -143.058
Base-Backbone interact. energy: -1.179
local terms energy: -196.401932
where:
bonds (distance) C4'-P energy: -55.702
bonds (distance) P-C4' energy: -38.822
flat angles C4'-P-C4' energy: -46.734
flat angles P-C4'-P energy: -27.891
tors. eta vs tors. theta energy: -27.252
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: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -407.505517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.505517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.505517 (E_RNA)
where:
Base-Base interactions energy: -233.100
where: short stacking energy: -122.706
Base-Backbone interact. energy: -1.196
local terms energy: -173.210252
where:
bonds (distance) C4'-P energy: -45.648
bonds (distance) P-C4' energy: -40.484
flat angles C4'-P-C4' energy: -42.610
flat angles P-C4'-P energy: -30.595
tors. eta vs tors. theta energy: -13.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -368.032067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.032067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.032067 (E_RNA)
where:
Base-Base interactions energy: -193.067
where: short stacking energy: -100.226
Base-Backbone interact. energy: -0.979
local terms energy: -173.985954
where:
bonds (distance) C4'-P energy: -44.002
bonds (distance) P-C4' energy: -41.846
flat angles C4'-P-C4' energy: -40.007
flat angles P-C4'-P energy: -33.579
tors. eta vs tors. theta energy: -14.553
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: 4
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1018.250898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.250898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.250898 (E_RNA)
where:
Base-Base interactions energy: -700.653
where: short stacking energy: -286.767
Base-Backbone interact. energy: 0.592
local terms energy: -318.189640
where:
bonds (distance) C4'-P energy: -52.605
bonds (distance) P-C4' energy: -65.463
flat angles C4'-P-C4' energy: -65.706
flat angles P-C4'-P energy: -47.697
tors. eta vs tors. theta energy: -86.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -891.418762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.418762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.418762 (E_RNA)
where:
Base-Base interactions energy: -601.823
where: short stacking energy: -267.361
Base-Backbone interact. energy: 2.915
local terms energy: -292.509944
where:
bonds (distance) C4'-P energy: -64.729
bonds (distance) P-C4' energy: -56.664
flat angles C4'-P-C4' energy: -61.024
flat angles P-C4'-P energy: -38.469
tors. eta vs tors. theta energy: -71.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -890.283327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.283327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.283327 (E_RNA)
where:
Base-Base interactions energy: -609.655
where: short stacking energy: -283.756
Base-Backbone interact. energy: -0.830
local terms energy: -279.798080
where:
bonds (distance) C4'-P energy: -44.323
bonds (distance) P-C4' energy: -53.558
flat angles C4'-P-C4' energy: -57.844
flat angles P-C4'-P energy: -38.230
tors. eta vs tors. theta energy: -85.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -840.487663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.487663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.487663 (E_RNA)
where:
Base-Base interactions energy: -560.507
where: short stacking energy: -247.689
Base-Backbone interact. energy: -2.143
local terms energy: -277.837566
where:
bonds (distance) C4'-P energy: -40.578
bonds (distance) P-C4' energy: -62.558
flat angles C4'-P-C4' energy: -57.020
flat angles P-C4'-P energy: -37.342
tors. eta vs tors. theta energy: -80.339
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: 80
Temperature: 1.100000
Total energy: -790.212776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.212776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.212776 (E_RNA)
where:
Base-Base interactions energy: -536.986
where: short stacking energy: -233.827
Base-Backbone interact. energy: -0.323
local terms energy: -252.903236
where:
bonds (distance) C4'-P energy: -50.718
bonds (distance) P-C4' energy: -52.948
flat angles C4'-P-C4' energy: -50.528
flat angles P-C4'-P energy: -27.525
tors. eta vs tors. theta energy: -71.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -706.851969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.851969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.851969 (E_RNA)
where:
Base-Base interactions energy: -435.800
where: short stacking energy: -203.849
Base-Backbone interact. energy: -0.227
local terms energy: -270.825381
where:
bonds (distance) C4'-P energy: -51.626
bonds (distance) P-C4' energy: -52.900
flat angles C4'-P-C4' energy: -61.891
flat angles P-C4'-P energy: -40.507
tors. eta vs tors. theta energy: -63.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -627.271885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.271885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.271885 (E_RNA)
where:
Base-Base interactions energy: -424.405
where: short stacking energy: -186.521
Base-Backbone interact. energy: -0.310
local terms energy: -202.556625
where:
bonds (distance) C4'-P energy: -46.721
bonds (distance) P-C4' energy: -42.744
flat angles C4'-P-C4' energy: -48.026
flat angles P-C4'-P energy: -28.234
tors. eta vs tors. theta energy: -36.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -490.827939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.827939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.827939 (E_RNA)
where:
Base-Base interactions energy: -305.775
where: short stacking energy: -135.921
Base-Backbone interact. energy: -0.502
local terms energy: -184.550416
where:
bonds (distance) C4'-P energy: -46.477
bonds (distance) P-C4' energy: -45.591
flat angles C4'-P-C4' energy: -51.422
flat angles P-C4'-P energy: -23.575
tors. eta vs tors. theta energy: -17.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -375.173035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.173035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.173035 (E_RNA)
where:
Base-Base interactions energy: -194.649
where: short stacking energy: -109.737
Base-Backbone interact. energy: -0.992
local terms energy: -179.532247
where:
bonds (distance) C4'-P energy: -41.649
bonds (distance) P-C4' energy: -44.372
flat angles C4'-P-C4' energy: -47.376
flat angles P-C4'-P energy: -31.785
tors. eta vs tors. theta energy: -14.350
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: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -349.887035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.887035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.887035 (E_RNA)
where:
Base-Base interactions energy: -196.355
where: short stacking energy: -120.197
Base-Backbone interact. energy: 0.743
local terms energy: -154.274983
where:
bonds (distance) C4'-P energy: -29.695
bonds (distance) P-C4' energy: -49.197
flat angles C4'-P-C4' energy: -37.647
flat angles P-C4'-P energy: -30.968
tors. eta vs tors. theta energy: -6.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1018.257910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.257910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.257910 (E_RNA)
where:
Base-Base interactions energy: -712.826
where: short stacking energy: -299.013
Base-Backbone interact. energy: -0.721
local terms energy: -304.710780
where:
bonds (distance) C4'-P energy: -52.190
bonds (distance) P-C4' energy: -64.208
flat angles C4'-P-C4' energy: -57.032
flat angles P-C4'-P energy: -43.528
tors. eta vs tors. theta energy: -87.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -900.268553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.268553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.268553 (E_RNA)
where:
Base-Base interactions energy: -599.531
where: short stacking energy: -258.164
Base-Backbone interact. energy: 1.670
local terms energy: -302.407164
where:
bonds (distance) C4'-P energy: -61.619
bonds (distance) P-C4' energy: -56.857
flat angles C4'-P-C4' energy: -67.800
flat angles P-C4'-P energy: -46.301
tors. eta vs tors. theta energy: -69.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -902.609793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.609793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.609793 (E_RNA)
where:
Base-Base interactions energy: -596.648
where: short stacking energy: -277.157
Base-Backbone interact. energy: -0.413
local terms energy: -305.548980
where:
bonds (distance) C4'-P energy: -52.431
bonds (distance) P-C4' energy: -56.240
flat angles C4'-P-C4' energy: -66.088
flat angles P-C4'-P energy: -46.445
tors. eta vs tors. theta energy: -84.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -857.313315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.313315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.313315 (E_RNA)
where:
Base-Base interactions energy: -591.732
where: short stacking energy: -260.656
Base-Backbone interact. energy: -1.247
local terms energy: -264.334824
where:
bonds (distance) C4'-P energy: -50.675
bonds (distance) P-C4' energy: -52.785
flat angles C4'-P-C4' energy: -55.197
flat angles P-C4'-P energy: -35.134
tors. eta vs tors. theta energy: -70.544
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: 6
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -785.580138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.580138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.580138 (E_RNA)
where:
Base-Base interactions energy: -531.155
where: short stacking energy: -243.301
Base-Backbone interact. energy: -0.140
local terms energy: -254.284666
where:
bonds (distance) C4'-P energy: -55.950
bonds (distance) P-C4' energy: -45.105
flat angles C4'-P-C4' energy: -56.685
flat angles P-C4'-P energy: -37.698
tors. eta vs tors. theta energy: -58.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -760.382260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.382260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.382260 (E_RNA)
where:
Base-Base interactions energy: -501.486
where: short stacking energy: -224.934
Base-Backbone interact. energy: -0.535
local terms energy: -258.361726
where:
bonds (distance) C4'-P energy: -65.807
bonds (distance) P-C4' energy: -40.765
flat angles C4'-P-C4' energy: -51.227
flat angles P-C4'-P energy: -40.689
tors. eta vs tors. theta energy: -59.873
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: 5
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -623.914815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.914815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.914815 (E_RNA)
where:
Base-Base interactions energy: -394.555
where: short stacking energy: -162.416
Base-Backbone interact. energy: -1.989
local terms energy: -227.371273
where:
bonds (distance) C4'-P energy: -43.371
bonds (distance) P-C4' energy: -53.940
flat angles C4'-P-C4' energy: -53.126
flat angles P-C4'-P energy: -36.825
tors. eta vs tors. theta energy: -40.109
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: 8, replica: 10
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -470.065209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.065209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.065209 (E_RNA)
where:
Base-Base interactions energy: -270.704
where: short stacking energy: -146.244
Base-Backbone interact. energy: -2.934
local terms energy: -196.427557
where:
bonds (distance) C4'-P energy: -36.077
bonds (distance) P-C4' energy: -40.166
flat angles C4'-P-C4' energy: -53.806
flat angles P-C4'-P energy: -37.131
tors. eta vs tors. theta energy: -29.247
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: 1
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -383.477830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.477830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.477830 (E_RNA)
where:
Base-Base interactions energy: -199.316
where: short stacking energy: -112.874
Base-Backbone interact. energy: -0.751
local terms energy: -183.410479
where:
bonds (distance) C4'-P energy: -43.675
bonds (distance) P-C4' energy: -48.465
flat angles C4'-P-C4' energy: -41.193
flat angles P-C4'-P energy: -34.364
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -342.272727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.272727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.272727 (E_RNA)
where:
Base-Base interactions energy: -187.894
where: short stacking energy: -87.124
Base-Backbone interact. energy: -0.180
local terms energy: -154.198579
where:
bonds (distance) C4'-P energy: -41.018
bonds (distance) P-C4' energy: -32.896
flat angles C4'-P-C4' energy: -48.317
flat angles P-C4'-P energy: -25.707
tors. eta vs tors. theta energy: -6.260
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: 4
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1019.205803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.205803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.205803 (E_RNA)
where:
Base-Base interactions energy: -703.794
where: short stacking energy: -304.003
Base-Backbone interact. energy: -0.954
local terms energy: -314.457772
where:
bonds (distance) C4'-P energy: -51.369
bonds (distance) P-C4' energy: -62.944
flat angles C4'-P-C4' energy: -69.807
flat angles P-C4'-P energy: -37.032
tors. eta vs tors. theta energy: -93.305
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: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -907.467035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.467035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.467035 (E_RNA)
where:
Base-Base interactions energy: -614.412
where: short stacking energy: -269.718
Base-Backbone interact. energy: -1.337
local terms energy: -291.717565
where:
bonds (distance) C4'-P energy: -53.915
bonds (distance) P-C4' energy: -62.571
flat angles C4'-P-C4' energy: -64.973
flat angles P-C4'-P energy: -34.330
tors. eta vs tors. theta energy: -75.928
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: 8
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -897.669696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.669696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.669696 (E_RNA)
where:
Base-Base interactions energy: -621.694
where: short stacking energy: -267.812
Base-Backbone interact. energy: 0.122
local terms energy: -276.098160
where:
bonds (distance) C4'-P energy: -53.802
bonds (distance) P-C4' energy: -51.495
flat angles C4'-P-C4' energy: -64.504
flat angles P-C4'-P energy: -34.818
tors. eta vs tors. theta energy: -71.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -885.129201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.129201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.129201 (E_RNA)
where:
Base-Base interactions energy: -604.648
where: short stacking energy: -267.083
Base-Backbone interact. energy: -2.124
local terms energy: -278.356883
where:
bonds (distance) C4'-P energy: -54.615
bonds (distance) P-C4' energy: -52.512
flat angles C4'-P-C4' energy: -55.546
flat angles P-C4'-P energy: -35.266
tors. eta vs tors. theta energy: -80.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -790.729508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.729508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.729508 (E_RNA)
where:
Base-Base interactions energy: -526.537
where: short stacking energy: -239.716
Base-Backbone interact. energy: -1.299
local terms energy: -262.893426
where:
bonds (distance) C4'-P energy: -41.920
bonds (distance) P-C4' energy: -52.691
flat angles C4'-P-C4' energy: -56.103
flat angles P-C4'-P energy: -39.008
tors. eta vs tors. theta energy: -73.170
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: 82
Temperature: 1.150000
Total energy: -764.953334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.953334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.953334 (E_RNA)
where:
Base-Base interactions energy: -520.923
where: short stacking energy: -237.919
Base-Backbone interact. energy: -1.165
local terms energy: -242.865758
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -44.264
flat angles C4'-P-C4' energy: -54.468
flat angles P-C4'-P energy: -29.888
tors. eta vs tors. theta energy: -64.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -624.292064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.292064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.292064 (E_RNA)
where:
Base-Base interactions energy: -397.562
where: short stacking energy: -172.742
Base-Backbone interact. energy: 0.409
local terms energy: -227.139083
where:
bonds (distance) C4'-P energy: -50.542
bonds (distance) P-C4' energy: -54.076
flat angles C4'-P-C4' energy: -53.788
flat angles P-C4'-P energy: -29.133
tors. eta vs tors. theta energy: -39.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -471.287214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.287214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.287214 (E_RNA)
where:
Base-Base interactions energy: -265.525
where: short stacking energy: -140.746
Base-Backbone interact. energy: -0.411
local terms energy: -205.350676
where:
bonds (distance) C4'-P energy: -50.959
bonds (distance) P-C4' energy: -50.705
flat angles C4'-P-C4' energy: -52.596
flat angles P-C4'-P energy: -32.643
tors. eta vs tors. theta energy: -18.449
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: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -374.514008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.514008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.514008 (E_RNA)
where:
Base-Base interactions energy: -205.558
where: short stacking energy: -113.916
Base-Backbone interact. energy: 5.317
local terms energy: -174.272074
where:
bonds (distance) C4'-P energy: -39.934
bonds (distance) P-C4' energy: -51.477
flat angles C4'-P-C4' energy: -43.725
flat angles P-C4'-P energy: -26.730
tors. eta vs tors. theta energy: -12.406
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: 1
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -372.369050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.369050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.369050 (E_RNA)
where:
Base-Base interactions energy: -216.598
where: short stacking energy: -102.109
Base-Backbone interact. energy: 0.000
local terms energy: -155.770676
where:
bonds (distance) C4'-P energy: -48.110
bonds (distance) P-C4' energy: -38.087
flat angles C4'-P-C4' energy: -44.879
flat angles P-C4'-P energy: -22.760
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1013.812097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.812097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.812097 (E_RNA)
where:
Base-Base interactions energy: -692.715
where: short stacking energy: -288.965
Base-Backbone interact. energy: 0.093
local terms energy: -321.190785
where:
bonds (distance) C4'-P energy: -48.803
bonds (distance) P-C4' energy: -65.341
flat angles C4'-P-C4' energy: -65.451
flat angles P-C4'-P energy: -49.096
tors. eta vs tors. theta energy: -92.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -906.813617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.813617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.813617 (E_RNA)
where:
Base-Base interactions energy: -636.697
where: short stacking energy: -277.563
Base-Backbone interact. energy: -0.759
local terms energy: -269.357720
where:
bonds (distance) C4'-P energy: -44.894
bonds (distance) P-C4' energy: -48.286
flat angles C4'-P-C4' energy: -55.170
flat angles P-C4'-P energy: -36.006
tors. eta vs tors. theta energy: -85.001
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: 8
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -893.891191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.891191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.891191 (E_RNA)
where:
Base-Base interactions energy: -602.499
where: short stacking energy: -273.127
Base-Backbone interact. energy: -2.263
local terms energy: -289.128412
where:
bonds (distance) C4'-P energy: -55.908
bonds (distance) P-C4' energy: -56.561
flat angles C4'-P-C4' energy: -59.799
flat angles P-C4'-P energy: -39.752
tors. eta vs tors. theta energy: -77.108
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: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -887.898767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.898767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.898767 (E_RNA)
where:
Base-Base interactions energy: -622.317
where: short stacking energy: -265.770
Base-Backbone interact. energy: -1.094
local terms energy: -264.487141
where:
bonds (distance) C4'-P energy: -44.832
bonds (distance) P-C4' energy: -43.879
flat angles C4'-P-C4' energy: -59.974
flat angles P-C4'-P energy: -35.569
tors. eta vs tors. theta energy: -80.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -768.258607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.258607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.258607 (E_RNA)
where:
Base-Base interactions energy: -505.831
where: short stacking energy: -243.227
Base-Backbone interact. energy: 3.227
local terms energy: -265.654640
where:
bonds (distance) C4'-P energy: -54.080
bonds (distance) P-C4' energy: -50.112
flat angles C4'-P-C4' energy: -48.372
flat angles P-C4'-P energy: -43.359
tors. eta vs tors. theta energy: -69.732
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: 6, replica: 3
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -780.743896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.743896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.743896 (E_RNA)
where:
Base-Base interactions energy: -541.433
where: short stacking energy: -227.431
Base-Backbone interact. energy: 1.254
local terms energy: -240.564372
where:
bonds (distance) C4'-P energy: -39.984
bonds (distance) P-C4' energy: -47.388
flat angles C4'-P-C4' energy: -53.281
flat angles P-C4'-P energy: -38.394
tors. eta vs tors. theta energy: -61.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -607.462336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.462336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.462336 (E_RNA)
where:
Base-Base interactions energy: -378.221
where: short stacking energy: -158.989
Base-Backbone interact. energy: -0.162
local terms energy: -229.079386
where:
bonds (distance) C4'-P energy: -55.803
bonds (distance) P-C4' energy: -54.825
flat angles C4'-P-C4' energy: -47.842
flat angles P-C4'-P energy: -35.248
tors. eta vs tors. theta energy: -35.361
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: 83
Temperature: 1.250000
Total energy: -468.458028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.458028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.458028 (E_RNA)
where:
Base-Base interactions energy: -262.978
where: short stacking energy: -125.253
Base-Backbone interact. energy: 1.011
local terms energy: -206.491140
where:
bonds (distance) C4'-P energy: -48.708
bonds (distance) P-C4' energy: -61.134
flat angles C4'-P-C4' energy: -50.922
flat angles P-C4'-P energy: -28.585
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -405.329354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -405.329354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -405.329354 (E_RNA)
where:
Base-Base interactions energy: -215.478
where: short stacking energy: -107.537
Base-Backbone interact. energy: -1.668
local terms energy: -188.183624
where:
bonds (distance) C4'-P energy: -50.876
bonds (distance) P-C4' energy: -54.437
flat angles C4'-P-C4' energy: -39.479
flat angles P-C4'-P energy: -35.487
tors. eta vs tors. theta energy: -7.904
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: 1
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -373.938097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.938097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.938097 (E_RNA)
where:
Base-Base interactions energy: -210.569
where: short stacking energy: -92.592
Base-Backbone interact. energy: 1.089
local terms energy: -164.458557
where:
bonds (distance) C4'-P energy: -41.287
bonds (distance) P-C4' energy: -59.317
flat angles C4'-P-C4' energy: -42.031
flat angles P-C4'-P energy: -22.894
tors. eta vs tors. theta energy: 1.071
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: 1, replica: 4
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1023.230017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.230017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.230017 (E_RNA)
where:
Base-Base interactions energy: -717.114
where: short stacking energy: -296.368
Base-Backbone interact. energy: -0.868
local terms energy: -305.247962
where:
bonds (distance) C4'-P energy: -56.632
bonds (distance) P-C4' energy: -49.992
flat angles C4'-P-C4' energy: -63.368
flat angles P-C4'-P energy: -44.347
tors. eta vs tors. theta energy: -90.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -906.046650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.046650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.046650 (E_RNA)
where:
Base-Base interactions energy: -616.457
where: short stacking energy: -270.648
Base-Backbone interact. energy: -0.088
local terms energy: -289.501704
where:
bonds (distance) C4'-P energy: -53.136
bonds (distance) P-C4' energy: -58.997
flat angles C4'-P-C4' energy: -60.724
flat angles P-C4'-P energy: -41.450
tors. eta vs tors. theta energy: -75.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -904.982177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.982177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.982177 (E_RNA)
where:
Base-Base interactions energy: -622.551
where: short stacking energy: -266.378
Base-Backbone interact. energy: -0.744
local terms energy: -281.686825
where:
bonds (distance) C4'-P energy: -53.449
bonds (distance) P-C4' energy: -50.334
flat angles C4'-P-C4' energy: -61.203
flat angles P-C4'-P energy: -37.255
tors. eta vs tors. theta energy: -79.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -878.170817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.170817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.170817 (E_RNA)
where:
Base-Base interactions energy: -606.594
where: short stacking energy: -269.952
Base-Backbone interact. energy: 1.056
local terms energy: -272.632709
where:
bonds (distance) C4'-P energy: -50.136
bonds (distance) P-C4' energy: -51.398
flat angles C4'-P-C4' energy: -53.175
flat angles P-C4'-P energy: -35.303
tors. eta vs tors. theta energy: -82.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -787.144847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.144847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.144847 (E_RNA)
where:
Base-Base interactions energy: -545.239
where: short stacking energy: -231.449
Base-Backbone interact. energy: 0.588
local terms energy: -242.493704
where:
bonds (distance) C4'-P energy: -49.081
bonds (distance) P-C4' energy: -36.958
flat angles C4'-P-C4' energy: -54.767
flat angles P-C4'-P energy: -33.783
tors. eta vs tors. theta energy: -67.906
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: 84
Temperature: 1.150000
Total energy: -814.644286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.644286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.644286 (E_RNA)
where:
Base-Base interactions energy: -543.406
where: short stacking energy: -234.860
Base-Backbone interact. energy: -1.243
local terms energy: -269.995577
where:
bonds (distance) C4'-P energy: -52.726
bonds (distance) P-C4' energy: -44.336
flat angles C4'-P-C4' energy: -54.396
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -73.105
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: 84
Temperature: 1.200000
Total energy: -657.955263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.955263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.955263 (E_RNA)
where:
Base-Base interactions energy: -430.354
where: short stacking energy: -188.572
Base-Backbone interact. energy: -1.479
local terms energy: -226.122638
where:
bonds (distance) C4'-P energy: -41.809
bonds (distance) P-C4' energy: -51.058
flat angles C4'-P-C4' energy: -50.770
flat angles P-C4'-P energy: -34.861
tors. eta vs tors. theta energy: -47.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -457.123995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.123995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.123995 (E_RNA)
where:
Base-Base interactions energy: -283.037
where: short stacking energy: -135.746
Base-Backbone interact. energy: -0.968
local terms energy: -173.119361
where:
bonds (distance) C4'-P energy: -46.676
bonds (distance) P-C4' energy: -48.676
flat angles C4'-P-C4' energy: -36.662
flat angles P-C4'-P energy: -30.905
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: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -390.617034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.617034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.617034 (E_RNA)
where:
Base-Base interactions energy: -206.492
where: short stacking energy: -111.657
Base-Backbone interact. energy: 0.386
local terms energy: -184.511260
where:
bonds (distance) C4'-P energy: -44.051
bonds (distance) P-C4' energy: -55.231
flat angles C4'-P-C4' energy: -40.861
flat angles P-C4'-P energy: -29.037
tors. eta vs tors. theta energy: -15.332
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: 10, replica: 1
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -351.620134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.620134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.620134 (E_RNA)
where:
Base-Base interactions energy: -201.491
where: short stacking energy: -112.879
Base-Backbone interact. energy: -0.372
local terms energy: -149.757346
where:
bonds (distance) C4'-P energy: -44.604
bonds (distance) P-C4' energy: -47.187
flat angles C4'-P-C4' energy: -31.873
flat angles P-C4'-P energy: -17.144
tors. eta vs tors. theta energy: -8.950
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: 4
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1013.134005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.134005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.134005 (E_RNA)
where:
Base-Base interactions energy: -705.861
where: short stacking energy: -292.369
Base-Backbone interact. energy: 0.247
local terms energy: -307.520673
where:
bonds (distance) C4'-P energy: -53.014
bonds (distance) P-C4' energy: -48.443
flat angles C4'-P-C4' energy: -64.632
flat angles P-C4'-P energy: -52.280
tors. eta vs tors. theta energy: -89.152
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: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -939.667291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.667291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.667291 (E_RNA)
where:
Base-Base interactions energy: -646.624
where: short stacking energy: -286.280
Base-Backbone interact. energy: -1.399
local terms energy: -291.643569
where:
bonds (distance) C4'-P energy: -44.358
bonds (distance) P-C4' energy: -63.529
flat angles C4'-P-C4' energy: -65.760
flat angles P-C4'-P energy: -38.763
tors. eta vs tors. theta energy: -79.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -910.851752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.851752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.851752 (E_RNA)
where:
Base-Base interactions energy: -624.475
where: short stacking energy: -274.204
Base-Backbone interact. energy: 0.458
local terms energy: -286.834768
where:
bonds (distance) C4'-P energy: -44.865
bonds (distance) P-C4' energy: -56.874
flat angles C4'-P-C4' energy: -62.331
flat angles P-C4'-P energy: -39.117
tors. eta vs tors. theta energy: -83.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -859.938665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.938665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.938665 (E_RNA)
where:
Base-Base interactions energy: -576.088
where: short stacking energy: -257.095
Base-Backbone interact. energy: -0.487
local terms energy: -283.363704
where:
bonds (distance) C4'-P energy: -53.518
bonds (distance) P-C4' energy: -59.805
flat angles C4'-P-C4' energy: -66.681
flat angles P-C4'-P energy: -34.268
tors. eta vs tors. theta energy: -69.091
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: 6
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -763.322716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.322716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.322716 (E_RNA)
where:
Base-Base interactions energy: -509.577
where: short stacking energy: -239.492
Base-Backbone interact. energy: 0.254
local terms energy: -253.999293
where:
bonds (distance) C4'-P energy: -45.459
bonds (distance) P-C4' energy: -49.203
flat angles C4'-P-C4' energy: -52.956
flat angles P-C4'-P energy: -40.175
tors. eta vs tors. theta energy: -66.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -775.806295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.806295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.806295 (E_RNA)
where:
Base-Base interactions energy: -537.494
where: short stacking energy: -218.523
Base-Backbone interact. energy: 0.217
local terms energy: -238.529361
where:
bonds (distance) C4'-P energy: -48.053
bonds (distance) P-C4' energy: -42.577
flat angles C4'-P-C4' energy: -50.366
flat angles P-C4'-P energy: -35.263
tors. eta vs tors. theta energy: -62.271
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: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -637.146281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.146281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.146281 (E_RNA)
where:
Base-Base interactions energy: -418.633
where: short stacking energy: -181.765
Base-Backbone interact. energy: 0.010
local terms energy: -218.523053
where:
bonds (distance) C4'-P energy: -50.249
bonds (distance) P-C4' energy: -58.708
flat angles C4'-P-C4' energy: -42.959
flat angles P-C4'-P energy: -26.890
tors. eta vs tors. theta energy: -39.717
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: 8, replica: 10
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -468.162329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.162329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.162329 (E_RNA)
where:
Base-Base interactions energy: -269.572
where: short stacking energy: -131.811
Base-Backbone interact. energy: -1.117
local terms energy: -197.473322
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -37.855
flat angles C4'-P-C4' energy: -44.721
flat angles P-C4'-P energy: -39.675
tors. eta vs tors. theta energy: -20.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -413.381441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.381441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.381441 (E_RNA)
where:
Base-Base interactions energy: -227.973
where: short stacking energy: -134.301
Base-Backbone interact. energy: 2.062
local terms energy: -187.470147
where:
bonds (distance) C4'-P energy: -57.592
bonds (distance) P-C4' energy: -56.180
flat angles C4'-P-C4' energy: -36.793
flat angles P-C4'-P energy: -35.128
tors. eta vs tors. theta energy: -1.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -368.760749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.760749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.760749 (E_RNA)
where:
Base-Base interactions energy: -197.174
where: short stacking energy: -112.795
Base-Backbone interact. energy: -1.051
local terms energy: -170.535702
where:
bonds (distance) C4'-P energy: -59.013
bonds (distance) P-C4' energy: -45.170
flat angles C4'-P-C4' energy: -35.144
flat angles P-C4'-P energy: -22.385
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: 4
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1013.912042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.912042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.912042 (E_RNA)
where:
Base-Base interactions energy: -695.825
where: short stacking energy: -283.661
Base-Backbone interact. energy: -0.244
local terms energy: -317.842934
where:
bonds (distance) C4'-P energy: -51.422
bonds (distance) P-C4' energy: -57.749
flat angles C4'-P-C4' energy: -65.535
flat angles P-C4'-P energy: -48.533
tors. eta vs tors. theta energy: -94.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -921.986810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.986810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.986810 (E_RNA)
where:
Base-Base interactions energy: -635.574
where: short stacking energy: -277.536
Base-Backbone interact. energy: -1.613
local terms energy: -284.799166
where:
bonds (distance) C4'-P energy: -49.125
bonds (distance) P-C4' energy: -55.260
flat angles C4'-P-C4' energy: -59.883
flat angles P-C4'-P energy: -45.764
tors. eta vs tors. theta energy: -74.767
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: 2
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -923.678453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.678453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.678453 (E_RNA)
where:
Base-Base interactions energy: -644.989
where: short stacking energy: -286.592
Base-Backbone interact. energy: -0.834
local terms energy: -277.854718
where:
bonds (distance) C4'-P energy: -48.667
bonds (distance) P-C4' energy: -46.476
flat angles C4'-P-C4' energy: -56.917
flat angles P-C4'-P energy: -41.247
tors. eta vs tors. theta energy: -84.547
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: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -859.382155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.382155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.382155 (E_RNA)
where:
Base-Base interactions energy: -580.390
where: short stacking energy: -262.794
Base-Backbone interact. energy: -0.690
local terms energy: -278.302027
where:
bonds (distance) C4'-P energy: -46.102
bonds (distance) P-C4' energy: -56.722
flat angles C4'-P-C4' energy: -64.158
flat angles P-C4'-P energy: -41.592
tors. eta vs tors. theta energy: -69.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -771.056170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.056170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.056170 (E_RNA)
where:
Base-Base interactions energy: -503.036
where: short stacking energy: -222.348
Base-Backbone interact. energy: 0.149
local terms energy: -268.169500
where:
bonds (distance) C4'-P energy: -49.212
bonds (distance) P-C4' energy: -51.180
flat angles C4'-P-C4' energy: -58.916
flat angles P-C4'-P energy: -41.441
tors. eta vs tors. theta energy: -67.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -751.862550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.862550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.862550 (E_RNA)
where:
Base-Base interactions energy: -492.340
where: short stacking energy: -226.894
Base-Backbone interact. energy: -2.512
local terms energy: -257.010280
where:
bonds (distance) C4'-P energy: -48.240
bonds (distance) P-C4' energy: -49.227
flat angles C4'-P-C4' energy: -55.181
flat angles P-C4'-P energy: -39.328
tors. eta vs tors. theta energy: -65.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -696.699968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.699968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.699968 (E_RNA)
where:
Base-Base interactions energy: -441.076
where: short stacking energy: -208.687
Base-Backbone interact. energy: -0.177
local terms energy: -255.446759
where:
bonds (distance) C4'-P energy: -47.545
bonds (distance) P-C4' energy: -56.720
flat angles C4'-P-C4' energy: -59.208
flat angles P-C4'-P energy: -38.602
tors. eta vs tors. theta energy: -53.371
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: 10
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -472.354426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.354426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.354426 (E_RNA)
where:
Base-Base interactions energy: -278.918
where: short stacking energy: -139.822
Base-Backbone interact. energy: -2.341
local terms energy: -191.094830
where:
bonds (distance) C4'-P energy: -38.734
bonds (distance) P-C4' energy: -49.386
flat angles C4'-P-C4' energy: -45.504
flat angles P-C4'-P energy: -31.988
tors. eta vs tors. theta energy: -25.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -445.088272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.088272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.088272 (E_RNA)
where:
Base-Base interactions energy: -280.343
where: short stacking energy: -162.321
Base-Backbone interact. energy: -0.544
local terms energy: -164.201404
where:
bonds (distance) C4'-P energy: -35.407
bonds (distance) P-C4' energy: -37.947
flat angles C4'-P-C4' energy: -34.981
flat angles P-C4'-P energy: -30.780
tors. eta vs tors. theta energy: -25.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -375.118008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.118008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.118008 (E_RNA)
where:
Base-Base interactions energy: -193.047
where: short stacking energy: -110.782
Base-Backbone interact. energy: 1.857
local terms energy: -183.927285
where:
bonds (distance) C4'-P energy: -53.816
bonds (distance) P-C4' energy: -44.218
flat angles C4'-P-C4' energy: -43.555
flat angles P-C4'-P energy: -33.797
tors. eta vs tors. theta energy: -8.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1026.226459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.226459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.226459 (E_RNA)
where:
Base-Base interactions energy: -696.873
where: short stacking energy: -300.680
Base-Backbone interact. energy: -1.453
local terms energy: -327.900232
where:
bonds (distance) C4'-P energy: -66.359
bonds (distance) P-C4' energy: -65.618
flat angles C4'-P-C4' energy: -61.094
flat angles P-C4'-P energy: -43.791
tors. eta vs tors. theta energy: -91.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -933.448270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.448270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.448270 (E_RNA)
where:
Base-Base interactions energy: -647.735
where: short stacking energy: -273.818
Base-Backbone interact. energy: -1.485
local terms energy: -284.227948
where:
bonds (distance) C4'-P energy: -57.755
bonds (distance) P-C4' energy: -53.539
flat angles C4'-P-C4' energy: -57.652
flat angles P-C4'-P energy: -38.597
tors. eta vs tors. theta energy: -76.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -927.795035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.795035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.795035 (E_RNA)
where:
Base-Base interactions energy: -628.122
where: short stacking energy: -267.559
Base-Backbone interact. energy: -2.166
local terms energy: -297.507196
where:
bonds (distance) C4'-P energy: -53.292
bonds (distance) P-C4' energy: -54.403
flat angles C4'-P-C4' energy: -61.361
flat angles P-C4'-P energy: -44.101
tors. eta vs tors. theta energy: -84.350
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: 8
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -852.830061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.830061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.830061 (E_RNA)
where:
Base-Base interactions energy: -580.876
where: short stacking energy: -251.601
Base-Backbone interact. energy: -0.393
local terms energy: -271.561467
where:
bonds (distance) C4'-P energy: -52.105
bonds (distance) P-C4' energy: -52.544
flat angles C4'-P-C4' energy: -50.104
flat angles P-C4'-P energy: -41.023
tors. eta vs tors. theta energy: -75.785
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: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -779.274595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.274595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.274595 (E_RNA)
where:
Base-Base interactions energy: -512.672
where: short stacking energy: -233.463
Base-Backbone interact. energy: -0.603
local terms energy: -265.999720
where:
bonds (distance) C4'-P energy: -47.299
bonds (distance) P-C4' energy: -51.638
flat angles C4'-P-C4' energy: -61.133
flat angles P-C4'-P energy: -40.195
tors. eta vs tors. theta energy: -65.736
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: 6
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -714.487051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.487051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.487051 (E_RNA)
where:
Base-Base interactions energy: -473.173
where: short stacking energy: -222.483
Base-Backbone interact. energy: 0.250
local terms energy: -241.564453
where:
bonds (distance) C4'-P energy: -35.753
bonds (distance) P-C4' energy: -46.478
flat angles C4'-P-C4' energy: -53.579
flat angles P-C4'-P energy: -37.824
tors. eta vs tors. theta energy: -67.930
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: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -648.345248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.345248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.345248 (E_RNA)
where:
Base-Base interactions energy: -433.847
where: short stacking energy: -199.733
Base-Backbone interact. energy: 0.544
local terms energy: -215.042294
where:
bonds (distance) C4'-P energy: -46.351
bonds (distance) P-C4' energy: -52.268
flat angles C4'-P-C4' energy: -45.896
flat angles P-C4'-P energy: -21.433
tors. eta vs tors. theta energy: -49.094
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: 87
Temperature: 1.250000
Total energy: -481.799451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.799451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.799451 (E_RNA)
where:
Base-Base interactions energy: -280.362
where: short stacking energy: -147.356
Base-Backbone interact. energy: -0.405
local terms energy: -201.032363
where:
bonds (distance) C4'-P energy: -37.150
bonds (distance) P-C4' energy: -51.988
flat angles C4'-P-C4' energy: -42.435
flat angles P-C4'-P energy: -43.056
tors. eta vs tors. theta energy: -26.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -373.649318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.649318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.649318 (E_RNA)
where:
Base-Base interactions energy: -201.355
where: short stacking energy: -119.648
Base-Backbone interact. energy: 4.324
local terms energy: -176.618185
where:
bonds (distance) C4'-P energy: -49.124
bonds (distance) P-C4' energy: -46.883
flat angles C4'-P-C4' energy: -49.884
flat angles P-C4'-P energy: -23.858
tors. eta vs tors. theta energy: -6.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -381.350728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.350728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.350728 (E_RNA)
where:
Base-Base interactions energy: -222.423
where: short stacking energy: -103.348
Base-Backbone interact. energy: -0.664
local terms energy: -158.263992
where:
bonds (distance) C4'-P energy: -43.474
bonds (distance) P-C4' energy: -53.992
flat angles C4'-P-C4' energy: -26.142
flat angles P-C4'-P energy: -29.751
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1041.647904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.647904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.647904 (E_RNA)
where:
Base-Base interactions energy: -717.768
where: short stacking energy: -292.377
Base-Backbone interact. energy: -0.366
local terms energy: -323.514165
where:
bonds (distance) C4'-P energy: -61.369
bonds (distance) P-C4' energy: -56.627
flat angles C4'-P-C4' energy: -70.521
flat angles P-C4'-P energy: -43.950
tors. eta vs tors. theta energy: -91.049
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: 7
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -932.687230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.687230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.687230 (E_RNA)
where:
Base-Base interactions energy: -633.941
where: short stacking energy: -273.160
Base-Backbone interact. energy: -3.439
local terms energy: -295.307501
where:
bonds (distance) C4'-P energy: -48.429
bonds (distance) P-C4' energy: -57.948
flat angles C4'-P-C4' energy: -63.900
flat angles P-C4'-P energy: -45.344
tors. eta vs tors. theta energy: -79.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -948.028175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.028175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.028175 (E_RNA)
where:
Base-Base interactions energy: -651.368
where: short stacking energy: -287.908
Base-Backbone interact. energy: -0.788
local terms energy: -295.871893
where:
bonds (distance) C4'-P energy: -54.080
bonds (distance) P-C4' energy: -52.172
flat angles C4'-P-C4' energy: -69.427
flat angles P-C4'-P energy: -35.329
tors. eta vs tors. theta energy: -84.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -854.237821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.237821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.237821 (E_RNA)
where:
Base-Base interactions energy: -577.157
where: short stacking energy: -244.260
Base-Backbone interact. energy: -0.727
local terms energy: -276.354577
where:
bonds (distance) C4'-P energy: -50.411
bonds (distance) P-C4' energy: -53.714
flat angles C4'-P-C4' energy: -53.746
flat angles P-C4'-P energy: -35.316
tors. eta vs tors. theta energy: -83.167
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: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -763.350392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.350392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.350392 (E_RNA)
where:
Base-Base interactions energy: -511.655
where: short stacking energy: -220.979
Base-Backbone interact. energy: -0.541
local terms energy: -251.154384
where:
bonds (distance) C4'-P energy: -52.857
bonds (distance) P-C4' energy: -44.984
flat angles C4'-P-C4' energy: -58.212
flat angles P-C4'-P energy: -36.616
tors. eta vs tors. theta energy: -58.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -673.063882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.063882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.063882 (E_RNA)
where:
Base-Base interactions energy: -428.589
where: short stacking energy: -207.920
Base-Backbone interact. energy: 1.023
local terms energy: -245.497385
where:
bonds (distance) C4'-P energy: -44.098
bonds (distance) P-C4' energy: -58.025
flat angles C4'-P-C4' energy: -57.167
flat angles P-C4'-P energy: -32.262
tors. eta vs tors. theta energy: -53.945
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: 5
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -634.745795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.745795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.745795 (E_RNA)
where:
Base-Base interactions energy: -404.978
where: short stacking energy: -187.173
Base-Backbone interact. energy: -1.731
local terms energy: -228.036244
where:
bonds (distance) C4'-P energy: -37.518
bonds (distance) P-C4' energy: -60.103
flat angles C4'-P-C4' energy: -51.173
flat angles P-C4'-P energy: -29.236
tors. eta vs tors. theta energy: -50.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -506.746430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.746430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.746430 (E_RNA)
where:
Base-Base interactions energy: -294.645
where: short stacking energy: -168.439
Base-Backbone interact. energy: -0.819
local terms energy: -211.282616
where:
bonds (distance) C4'-P energy: -49.248
bonds (distance) P-C4' energy: -44.940
flat angles C4'-P-C4' energy: -42.645
flat angles P-C4'-P energy: -31.780
tors. eta vs tors. theta energy: -42.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -431.557087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.557087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.557087 (E_RNA)
where:
Base-Base interactions energy: -258.920
where: short stacking energy: -136.841
Base-Backbone interact. energy: -0.373
local terms energy: -172.264210
where:
bonds (distance) C4'-P energy: -42.128
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -37.885
flat angles P-C4'-P energy: -26.758
tors. eta vs tors. theta energy: -16.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -375.781722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.781722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.781722 (E_RNA)
where:
Base-Base interactions energy: -213.503
where: short stacking energy: -126.198
Base-Backbone interact. energy: -0.550
local terms energy: -161.729227
where:
bonds (distance) C4'-P energy: -41.827
bonds (distance) P-C4' energy: -39.881
flat angles C4'-P-C4' energy: -41.956
flat angles P-C4'-P energy: -23.124
tors. eta vs tors. theta energy: -14.941
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: 1, replica: 4
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1035.771526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.771526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.771526 (E_RNA)
where:
Base-Base interactions energy: -718.622
where: short stacking energy: -310.833
Base-Backbone interact. energy: -1.250
local terms energy: -315.899878
where:
bonds (distance) C4'-P energy: -57.740
bonds (distance) P-C4' energy: -58.462
flat angles C4'-P-C4' energy: -65.824
flat angles P-C4'-P energy: -43.068
tors. eta vs tors. theta energy: -90.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -934.987039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.987039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.987039 (E_RNA)
where:
Base-Base interactions energy: -639.221
where: short stacking energy: -283.769
Base-Backbone interact. energy: 0.017
local terms energy: -295.782759
where:
bonds (distance) C4'-P energy: -59.636
bonds (distance) P-C4' energy: -50.898
flat angles C4'-P-C4' energy: -61.253
flat angles P-C4'-P energy: -37.508
tors. eta vs tors. theta energy: -86.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -902.988893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.988893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.988893 (E_RNA)
where:
Base-Base interactions energy: -624.816
where: short stacking energy: -254.716
Base-Backbone interact. energy: -0.770
local terms energy: -277.403001
where:
bonds (distance) C4'-P energy: -55.114
bonds (distance) P-C4' energy: -46.040
flat angles C4'-P-C4' energy: -61.305
flat angles P-C4'-P energy: -40.590
tors. eta vs tors. theta energy: -74.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -882.290927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.290927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.290927 (E_RNA)
where:
Base-Base interactions energy: -606.165
where: short stacking energy: -272.199
Base-Backbone interact. energy: -0.262
local terms energy: -275.863955
where:
bonds (distance) C4'-P energy: -47.267
bonds (distance) P-C4' energy: -52.658
flat angles C4'-P-C4' energy: -52.371
flat angles P-C4'-P energy: -53.931
tors. eta vs tors. theta energy: -69.636
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: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -771.859312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.859312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.859312 (E_RNA)
where:
Base-Base interactions energy: -515.787
where: short stacking energy: -221.300
Base-Backbone interact. energy: -1.377
local terms energy: -254.695251
where:
bonds (distance) C4'-P energy: -48.366
bonds (distance) P-C4' energy: -58.814
flat angles C4'-P-C4' energy: -54.500
flat angles P-C4'-P energy: -30.555
tors. eta vs tors. theta energy: -62.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -698.981955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.981955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.981955 (E_RNA)
where:
Base-Base interactions energy: -458.117
where: short stacking energy: -214.146
Base-Backbone interact. energy: -0.894
local terms energy: -239.970787
where:
bonds (distance) C4'-P energy: -39.875
bonds (distance) P-C4' energy: -42.833
flat angles C4'-P-C4' energy: -60.801
flat angles P-C4'-P energy: -38.805
tors. eta vs tors. theta energy: -57.656
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: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -673.269140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.269140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.269140 (E_RNA)
where:
Base-Base interactions energy: -439.984
where: short stacking energy: -197.343
Base-Backbone interact. energy: -1.103
local terms energy: -232.182277
where:
bonds (distance) C4'-P energy: -53.642
bonds (distance) P-C4' energy: -42.953
flat angles C4'-P-C4' energy: -52.545
flat angles P-C4'-P energy: -31.627
tors. eta vs tors. theta energy: -51.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -463.127538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.127538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.127538 (E_RNA)
where:
Base-Base interactions energy: -281.418
where: short stacking energy: -146.143
Base-Backbone interact. energy: 0.047
local terms energy: -181.756954
where:
bonds (distance) C4'-P energy: -32.483
bonds (distance) P-C4' energy: -62.654
flat angles C4'-P-C4' energy: -43.529
flat angles P-C4'-P energy: -31.182
tors. eta vs tors. theta energy: -11.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -446.797895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.797895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.797895 (E_RNA)
where:
Base-Base interactions energy: -280.581
where: short stacking energy: -146.325
Base-Backbone interact. energy: -0.832
local terms energy: -165.384508
where:
bonds (distance) C4'-P energy: -42.779
bonds (distance) P-C4' energy: -39.312
flat angles C4'-P-C4' energy: -43.085
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -27.563
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: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -327.527014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.527014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.527014 (E_RNA)
where:
Base-Base interactions energy: -179.230
where: short stacking energy: -91.836
Base-Backbone interact. energy: -0.661
local terms energy: -147.636265
where:
bonds (distance) C4'-P energy: -50.376
bonds (distance) P-C4' energy: -40.885
flat angles C4'-P-C4' energy: -39.114
flat angles P-C4'-P energy: -18.804
tors. eta vs tors. theta energy: 1.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1021.330904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.330904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.330904 (E_RNA)
where:
Base-Base interactions energy: -711.731
where: short stacking energy: -292.005
Base-Backbone interact. energy: -1.109
local terms energy: -308.491323
where:
bonds (distance) C4'-P energy: -55.136
bonds (distance) P-C4' energy: -57.541
flat angles C4'-P-C4' energy: -60.936
flat angles P-C4'-P energy: -47.482
tors. eta vs tors. theta energy: -87.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -945.232568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.232568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.232568 (E_RNA)
where:
Base-Base interactions energy: -639.565
where: short stacking energy: -268.563
Base-Backbone interact. energy: 0.009
local terms energy: -305.676706
where:
bonds (distance) C4'-P energy: -58.692
bonds (distance) P-C4' energy: -59.177
flat angles C4'-P-C4' energy: -62.406
flat angles P-C4'-P energy: -39.505
tors. eta vs tors. theta energy: -85.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -908.220550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.220550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.220550 (E_RNA)
where:
Base-Base interactions energy: -614.732
where: short stacking energy: -262.379
Base-Backbone interact. energy: -0.844
local terms energy: -292.643865
where:
bonds (distance) C4'-P energy: -60.817
bonds (distance) P-C4' energy: -57.882
flat angles C4'-P-C4' energy: -57.117
flat angles P-C4'-P energy: -42.875
tors. eta vs tors. theta energy: -73.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -868.077405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.077405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.077405 (E_RNA)
where:
Base-Base interactions energy: -590.010
where: short stacking energy: -282.178
Base-Backbone interact. energy: -1.231
local terms energy: -276.836061
where:
bonds (distance) C4'-P energy: -47.848
bonds (distance) P-C4' energy: -57.672
flat angles C4'-P-C4' energy: -54.972
flat angles P-C4'-P energy: -34.726
tors. eta vs tors. theta energy: -81.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -770.203229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.203229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.203229 (E_RNA)
where:
Base-Base interactions energy: -542.990
where: short stacking energy: -227.250
Base-Backbone interact. energy: -1.520
local terms energy: -225.693788
where:
bonds (distance) C4'-P energy: -41.691
bonds (distance) P-C4' energy: -47.557
flat angles C4'-P-C4' energy: -50.270
flat angles P-C4'-P energy: -33.471
tors. eta vs tors. theta energy: -52.705
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: 6, replica: 6
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -652.615871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.615871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.615871 (E_RNA)
where:
Base-Base interactions energy: -427.183
where: short stacking energy: -214.846
Base-Backbone interact. energy: -2.005
local terms energy: -223.427790
where:
bonds (distance) C4'-P energy: -45.928
bonds (distance) P-C4' energy: -44.222
flat angles C4'-P-C4' energy: -51.426
flat angles P-C4'-P energy: -29.960
tors. eta vs tors. theta energy: -51.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -683.437280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.437280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.437280 (E_RNA)
where:
Base-Base interactions energy: -444.417
where: short stacking energy: -190.419
Base-Backbone interact. energy: -1.869
local terms energy: -237.150874
where:
bonds (distance) C4'-P energy: -47.848
bonds (distance) P-C4' energy: -51.231
flat angles C4'-P-C4' energy: -56.316
flat angles P-C4'-P energy: -34.993
tors. eta vs tors. theta energy: -46.763
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: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -466.323780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.323780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.323780 (E_RNA)
where:
Base-Base interactions energy: -271.959
where: short stacking energy: -151.750
Base-Backbone interact. energy: -1.521
local terms energy: -192.844262
where:
bonds (distance) C4'-P energy: -44.550
bonds (distance) P-C4' energy: -47.389
flat angles C4'-P-C4' energy: -50.306
flat angles P-C4'-P energy: -21.895
tors. eta vs tors. theta energy: -28.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -444.103243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.103243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.103243 (E_RNA)
where:
Base-Base interactions energy: -265.391
where: short stacking energy: -126.036
Base-Backbone interact. energy: 2.892
local terms energy: -181.604329
where:
bonds (distance) C4'-P energy: -49.158
bonds (distance) P-C4' energy: -59.384
flat angles C4'-P-C4' energy: -48.475
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -8.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -351.417323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.417323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.417323 (E_RNA)
where:
Base-Base interactions energy: -176.481
where: short stacking energy: -112.081
Base-Backbone interact. energy: -0.750
local terms energy: -174.186463
where:
bonds (distance) C4'-P energy: -42.914
bonds (distance) P-C4' energy: -55.020
flat angles C4'-P-C4' energy: -43.330
flat angles P-C4'-P energy: -25.920
tors. eta vs tors. theta energy: -7.003
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: 4
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1033.673746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.673746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.673746 (E_RNA)
where:
Base-Base interactions energy: -718.661
where: short stacking energy: -301.570
Base-Backbone interact. energy: -1.327
local terms energy: -313.685289
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -60.593
flat angles C4'-P-C4' energy: -68.250
flat angles P-C4'-P energy: -44.436
tors. eta vs tors. theta energy: -89.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -935.381410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.381410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.381410 (E_RNA)
where:
Base-Base interactions energy: -652.714
where: short stacking energy: -262.266
Base-Backbone interact. energy: 2.304
local terms energy: -284.970873
where:
bonds (distance) C4'-P energy: -51.443
bonds (distance) P-C4' energy: -53.156
flat angles C4'-P-C4' energy: -62.376
flat angles P-C4'-P energy: -39.293
tors. eta vs tors. theta energy: -78.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -936.808268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.808268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.808268 (E_RNA)
where:
Base-Base interactions energy: -643.413
where: short stacking energy: -285.689
Base-Backbone interact. energy: -1.028
local terms energy: -292.367342
where:
bonds (distance) C4'-P energy: -47.128
bonds (distance) P-C4' energy: -57.190
flat angles C4'-P-C4' energy: -60.379
flat angles P-C4'-P energy: -41.084
tors. eta vs tors. theta energy: -86.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -844.813907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.813907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.813907 (E_RNA)
where:
Base-Base interactions energy: -567.240
where: short stacking energy: -243.567
Base-Backbone interact. energy: -0.668
local terms energy: -276.906419
where:
bonds (distance) C4'-P energy: -47.671
bonds (distance) P-C4' energy: -57.934
flat angles C4'-P-C4' energy: -69.447
flat angles P-C4'-P energy: -38.113
tors. eta vs tors. theta energy: -63.742
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: 5, replica: 8
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -857.064512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.064512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.064512 (E_RNA)
where:
Base-Base interactions energy: -585.906
where: short stacking energy: -252.558
Base-Backbone interact. energy: -1.497
local terms energy: -269.661174
where:
bonds (distance) C4'-P energy: -48.150
bonds (distance) P-C4' energy: -55.856
flat angles C4'-P-C4' energy: -58.399
flat angles P-C4'-P energy: -37.245
tors. eta vs tors. theta energy: -70.011
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: 5
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -678.146153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.146153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.146153 (E_RNA)
where:
Base-Base interactions energy: -452.030
where: short stacking energy: -210.833
Base-Backbone interact. energy: -0.478
local terms energy: -225.637764
where:
bonds (distance) C4'-P energy: -35.761
bonds (distance) P-C4' energy: -52.680
flat angles C4'-P-C4' energy: -44.910
flat angles P-C4'-P energy: -34.890
tors. eta vs tors. theta energy: -57.396
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: 6
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -635.668254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.668254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.668254 (E_RNA)
where:
Base-Base interactions energy: -404.603
where: short stacking energy: -185.790
Base-Backbone interact. energy: -1.318
local terms energy: -229.746885
where:
bonds (distance) C4'-P energy: -51.543
bonds (distance) P-C4' energy: -50.552
flat angles C4'-P-C4' energy: -54.150
flat angles P-C4'-P energy: -31.585
tors. eta vs tors. theta energy: -41.917
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: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -462.301361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.301361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.301361 (E_RNA)
where:
Base-Base interactions energy: -282.623
where: short stacking energy: -141.929
Base-Backbone interact. energy: -0.837
local terms energy: -178.841390
where:
bonds (distance) C4'-P energy: -54.281
bonds (distance) P-C4' energy: -30.795
flat angles C4'-P-C4' energy: -53.203
flat angles P-C4'-P energy: -26.161
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -442.429380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.429380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.429380 (E_RNA)
where:
Base-Base interactions energy: -251.007
where: short stacking energy: -133.539
Base-Backbone interact. energy: 0.340
local terms energy: -191.761686
where:
bonds (distance) C4'-P energy: -51.971
bonds (distance) P-C4' energy: -56.090
flat angles C4'-P-C4' energy: -44.995
flat angles P-C4'-P energy: -19.299
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -400.339296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.339296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.339296 (E_RNA)
where:
Base-Base interactions energy: -250.524
where: short stacking energy: -128.274
Base-Backbone interact. energy: -0.544
local terms energy: -149.271530
where:
bonds (distance) C4'-P energy: -48.659
bonds (distance) P-C4' energy: -33.191
flat angles C4'-P-C4' energy: -26.996
flat angles P-C4'-P energy: -27.120
tors. eta vs tors. theta energy: -13.306
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: 1, replica: 4
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1023.363830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.363830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.363830 (E_RNA)
where:
Base-Base interactions energy: -711.610
where: short stacking energy: -285.000
Base-Backbone interact. energy: -1.429
local terms energy: -310.325523
where:
bonds (distance) C4'-P energy: -51.860
bonds (distance) P-C4' energy: -63.760
flat angles C4'-P-C4' energy: -62.446
flat angles P-C4'-P energy: -44.048
tors. eta vs tors. theta energy: -88.212
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: 92
Temperature: 0.950000
Total energy: -949.571751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.571751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.571751 (E_RNA)
where:
Base-Base interactions energy: -664.958
where: short stacking energy: -276.320
Base-Backbone interact. energy: 2.253
local terms energy: -286.866906
where:
bonds (distance) C4'-P energy: -52.045
bonds (distance) P-C4' energy: -50.137
flat angles C4'-P-C4' energy: -58.672
flat angles P-C4'-P energy: -40.183
tors. eta vs tors. theta energy: -85.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -914.697791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.697791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.697791 (E_RNA)
where:
Base-Base interactions energy: -630.792
where: short stacking energy: -280.200
Base-Backbone interact. energy: -0.120
local terms energy: -283.785682
where:
bonds (distance) C4'-P energy: -46.990
bonds (distance) P-C4' energy: -53.280
flat angles C4'-P-C4' energy: -63.826
flat angles P-C4'-P energy: -41.884
tors. eta vs tors. theta energy: -77.806
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: 3
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -816.646233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.646233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.646233 (E_RNA)
where:
Base-Base interactions energy: -530.364
where: short stacking energy: -234.822
Base-Backbone interact. energy: -0.190
local terms energy: -286.091802
where:
bonds (distance) C4'-P energy: -55.013
bonds (distance) P-C4' energy: -65.790
flat angles C4'-P-C4' energy: -57.622
flat angles P-C4'-P energy: -35.696
tors. eta vs tors. theta energy: -71.972
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: 92
Temperature: 1.100000
Total energy: -826.088447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.088447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.088447 (E_RNA)
where:
Base-Base interactions energy: -562.204
where: short stacking energy: -258.308
Base-Backbone interact. energy: 1.321
local terms energy: -265.205993
where:
bonds (distance) C4'-P energy: -41.412
bonds (distance) P-C4' energy: -49.339
flat angles C4'-P-C4' energy: -60.033
flat angles P-C4'-P energy: -36.907
tors. eta vs tors. theta energy: -77.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -655.099659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.099659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.099659 (E_RNA)
where:
Base-Base interactions energy: -423.096
where: short stacking energy: -198.054
Base-Backbone interact. energy: -0.625
local terms energy: -231.378565
where:
bonds (distance) C4'-P energy: -46.668
bonds (distance) P-C4' energy: -44.324
flat angles C4'-P-C4' energy: -59.935
flat angles P-C4'-P energy: -35.033
tors. eta vs tors. theta energy: -45.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -627.461577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.461577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.461577 (E_RNA)
where:
Base-Base interactions energy: -389.039
where: short stacking energy: -175.155
Base-Backbone interact. energy: -1.017
local terms energy: -237.405651
where:
bonds (distance) C4'-P energy: -50.289
bonds (distance) P-C4' energy: -59.885
flat angles C4'-P-C4' energy: -62.086
flat angles P-C4'-P energy: -17.845
tors. eta vs tors. theta energy: -47.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -481.020731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.020731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.020731 (E_RNA)
where:
Base-Base interactions energy: -288.205
where: short stacking energy: -145.020
Base-Backbone interact. energy: -0.425
local terms energy: -192.390611
where:
bonds (distance) C4'-P energy: -48.611
bonds (distance) P-C4' energy: -50.706
flat angles C4'-P-C4' energy: -57.215
flat angles P-C4'-P energy: -16.327
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -449.210727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.210727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.210727 (E_RNA)
where:
Base-Base interactions energy: -262.494
where: short stacking energy: -136.848
Base-Backbone interact. energy: 0.824
local terms energy: -187.540748
where:
bonds (distance) C4'-P energy: -47.324
bonds (distance) P-C4' energy: -47.113
flat angles C4'-P-C4' energy: -36.065
flat angles P-C4'-P energy: -31.340
tors. eta vs tors. theta energy: -25.698
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: 1
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -394.405669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.405669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.405669 (E_RNA)
where:
Base-Base interactions energy: -208.420
where: short stacking energy: -122.608
Base-Backbone interact. energy: -0.423
local terms energy: -185.562288
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -45.618
flat angles C4'-P-C4' energy: -35.292
flat angles P-C4'-P energy: -46.462
tors. eta vs tors. theta energy: -13.337
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: 1, replica: 4
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1034.442753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.442753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.442753 (E_RNA)
where:
Base-Base interactions energy: -730.634
where: short stacking energy: -290.428
Base-Backbone interact. energy: -0.990
local terms energy: -302.819312
where:
bonds (distance) C4'-P energy: -50.680
bonds (distance) P-C4' energy: -57.613
flat angles C4'-P-C4' energy: -67.503
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: -93.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -922.407367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.407367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.407367 (E_RNA)
where:
Base-Base interactions energy: -619.452
where: short stacking energy: -272.604
Base-Backbone interact. energy: -0.331
local terms energy: -302.624605
where:
bonds (distance) C4'-P energy: -55.607
bonds (distance) P-C4' energy: -55.591
flat angles C4'-P-C4' energy: -61.367
flat angles P-C4'-P energy: -50.761
tors. eta vs tors. theta energy: -79.299
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: 3, replica: 2
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -906.900851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.900851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.900851 (E_RNA)
where:
Base-Base interactions energy: -608.420
where: short stacking energy: -277.258
Base-Backbone interact. energy: 1.340
local terms energy: -299.820622
where:
bonds (distance) C4'-P energy: -49.093
bonds (distance) P-C4' energy: -54.346
flat angles C4'-P-C4' energy: -67.676
flat angles P-C4'-P energy: -45.384
tors. eta vs tors. theta energy: -83.321
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: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -862.897287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.897287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.897287 (E_RNA)
where:
Base-Base interactions energy: -582.520
where: short stacking energy: -268.872
Base-Backbone interact. energy: -1.194
local terms energy: -279.183276
where:
bonds (distance) C4'-P energy: -46.790
bonds (distance) P-C4' energy: -54.406
flat angles C4'-P-C4' energy: -58.323
flat angles P-C4'-P energy: -43.032
tors. eta vs tors. theta energy: -76.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -784.799451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.799451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.799451 (E_RNA)
where:
Base-Base interactions energy: -534.475
where: short stacking energy: -225.179
Base-Backbone interact. energy: -0.468
local terms energy: -249.856415
where:
bonds (distance) C4'-P energy: -49.132
bonds (distance) P-C4' energy: -58.181
flat angles C4'-P-C4' energy: -54.204
flat angles P-C4'-P energy: -32.830
tors. eta vs tors. theta energy: -55.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -663.676416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.676416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.676416 (E_RNA)
where:
Base-Base interactions energy: -433.776
where: short stacking energy: -191.752
Base-Backbone interact. energy: 0.918
local terms energy: -230.818818
where:
bonds (distance) C4'-P energy: -56.671
bonds (distance) P-C4' energy: -44.967
flat angles C4'-P-C4' energy: -50.054
flat angles P-C4'-P energy: -36.704
tors. eta vs tors. theta energy: -42.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -600.522586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.522586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.522586 (E_RNA)
where:
Base-Base interactions energy: -383.257
where: short stacking energy: -179.929
Base-Backbone interact. energy: 1.656
local terms energy: -218.920742
where:
bonds (distance) C4'-P energy: -45.442
bonds (distance) P-C4' energy: -47.420
flat angles C4'-P-C4' energy: -48.992
flat angles P-C4'-P energy: -35.509
tors. eta vs tors. theta energy: -41.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -496.469112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.469112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.469112 (E_RNA)
where:
Base-Base interactions energy: -288.721
where: short stacking energy: -165.567
Base-Backbone interact. energy: -0.565
local terms energy: -207.182976
where:
bonds (distance) C4'-P energy: -45.207
bonds (distance) P-C4' energy: -51.516
flat angles C4'-P-C4' energy: -55.884
flat angles P-C4'-P energy: -25.015
tors. eta vs tors. theta energy: -29.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -475.803663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.803663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.803663 (E_RNA)
where:
Base-Base interactions energy: -299.598
where: short stacking energy: -137.407
Base-Backbone interact. energy: -2.252
local terms energy: -173.954145
where:
bonds (distance) C4'-P energy: -46.245
bonds (distance) P-C4' energy: -42.464
flat angles C4'-P-C4' energy: -36.752
flat angles P-C4'-P energy: -26.917
tors. eta vs tors. theta energy: -21.576
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: 1
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -383.646609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -383.646609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -383.646609 (E_RNA)
where:
Base-Base interactions energy: -189.218
where: short stacking energy: -104.561
Base-Backbone interact. energy: 3.499
local terms energy: -197.927379
where:
bonds (distance) C4'-P energy: -51.612
bonds (distance) P-C4' energy: -57.976
flat angles C4'-P-C4' energy: -40.334
flat angles P-C4'-P energy: -29.852
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1029.238624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.238624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.238624 (E_RNA)
where:
Base-Base interactions energy: -707.138
where: short stacking energy: -295.086
Base-Backbone interact. energy: -1.223
local terms energy: -320.877501
where:
bonds (distance) C4'-P energy: -62.622
bonds (distance) P-C4' energy: -56.144
flat angles C4'-P-C4' energy: -65.978
flat angles P-C4'-P energy: -43.677
tors. eta vs tors. theta energy: -92.456
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: 7
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -926.148698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.148698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.148698 (E_RNA)
where:
Base-Base interactions energy: -642.259
where: short stacking energy: -270.678
Base-Backbone interact. energy: 1.553
local terms energy: -285.442821
where:
bonds (distance) C4'-P energy: -52.307
bonds (distance) P-C4' energy: -53.328
flat angles C4'-P-C4' energy: -57.376
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -78.201
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: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -872.364043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.364043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.364043 (E_RNA)
where:
Base-Base interactions energy: -594.137
where: short stacking energy: -273.526
Base-Backbone interact. energy: -0.329
local terms energy: -277.898425
where:
bonds (distance) C4'-P energy: -51.053
bonds (distance) P-C4' energy: -54.278
flat angles C4'-P-C4' energy: -61.229
flat angles P-C4'-P energy: -34.352
tors. eta vs tors. theta energy: -76.986
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: 2
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -896.013454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.013454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.013454 (E_RNA)
where:
Base-Base interactions energy: -618.757
where: short stacking energy: -264.604
Base-Backbone interact. energy: -2.759
local terms energy: -274.497921
where:
bonds (distance) C4'-P energy: -44.579
bonds (distance) P-C4' energy: -47.791
flat angles C4'-P-C4' energy: -59.305
flat angles P-C4'-P energy: -42.817
tors. eta vs tors. theta energy: -80.006
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: 3
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -783.205322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.205322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.205322 (E_RNA)
where:
Base-Base interactions energy: -523.459
where: short stacking energy: -224.700
Base-Backbone interact. energy: -1.379
local terms energy: -258.367380
where:
bonds (distance) C4'-P energy: -47.926
bonds (distance) P-C4' energy: -55.109
flat angles C4'-P-C4' energy: -56.251
flat angles P-C4'-P energy: -37.702
tors. eta vs tors. theta energy: -61.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -670.989910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.989910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.989910 (E_RNA)
where:
Base-Base interactions energy: -431.263
where: short stacking energy: -199.930
Base-Backbone interact. energy: -0.449
local terms energy: -239.277494
where:
bonds (distance) C4'-P energy: -46.409
bonds (distance) P-C4' energy: -46.288
flat angles C4'-P-C4' energy: -62.207
flat angles P-C4'-P energy: -28.006
tors. eta vs tors. theta energy: -56.367
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: 6
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -594.541812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.541812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.541812 (E_RNA)
where:
Base-Base interactions energy: -358.459
where: short stacking energy: -169.200
Base-Backbone interact. energy: -0.305
local terms energy: -235.778417
where:
bonds (distance) C4'-P energy: -57.763
bonds (distance) P-C4' energy: -41.632
flat angles C4'-P-C4' energy: -58.311
flat angles P-C4'-P energy: -40.701
tors. eta vs tors. theta energy: -37.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -499.272301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.272301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.272301 (E_RNA)
where:
Base-Base interactions energy: -295.813
where: short stacking energy: -167.866
Base-Backbone interact. energy: -0.424
local terms energy: -203.035132
where:
bonds (distance) C4'-P energy: -42.947
bonds (distance) P-C4' energy: -54.755
flat angles C4'-P-C4' energy: -45.112
flat angles P-C4'-P energy: -27.181
tors. eta vs tors. theta energy: -33.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -447.041971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.041971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.041971 (E_RNA)
where:
Base-Base interactions energy: -247.884
where: short stacking energy: -119.048
Base-Backbone interact. energy: 1.596
local terms energy: -200.754493
where:
bonds (distance) C4'-P energy: -47.561
bonds (distance) P-C4' energy: -60.290
flat angles C4'-P-C4' energy: -48.928
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -16.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -445.707911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.707911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.707911 (E_RNA)
where:
Base-Base interactions energy: -256.284
where: short stacking energy: -133.366
Base-Backbone interact. energy: -0.428
local terms energy: -188.995554
where:
bonds (distance) C4'-P energy: -39.233
bonds (distance) P-C4' energy: -47.333
flat angles C4'-P-C4' energy: -50.010
flat angles P-C4'-P energy: -40.204
tors. eta vs tors. theta energy: -12.215
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: 4
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1046.695235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.695235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.695235 (E_RNA)
where:
Base-Base interactions energy: -736.130
where: short stacking energy: -301.728
Base-Backbone interact. energy: -0.619
local terms energy: -309.946943
where:
bonds (distance) C4'-P energy: -59.709
bonds (distance) P-C4' energy: -56.304
flat angles C4'-P-C4' energy: -64.976
flat angles P-C4'-P energy: -39.134
tors. eta vs tors. theta energy: -89.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -933.151957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.151957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.151957 (E_RNA)
where:
Base-Base interactions energy: -642.679
where: short stacking energy: -289.990
Base-Backbone interact. energy: 2.914
local terms energy: -293.387843
where:
bonds (distance) C4'-P energy: -50.216
bonds (distance) P-C4' energy: -57.877
flat angles C4'-P-C4' energy: -64.687
flat angles P-C4'-P energy: -33.881
tors. eta vs tors. theta energy: -86.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -889.033745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.033745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.033745 (E_RNA)
where:
Base-Base interactions energy: -606.086
where: short stacking energy: -278.938
Base-Backbone interact. energy: -0.199
local terms energy: -282.749191
where:
bonds (distance) C4'-P energy: -52.420
bonds (distance) P-C4' energy: -55.870
flat angles C4'-P-C4' energy: -58.568
flat angles P-C4'-P energy: -38.129
tors. eta vs tors. theta energy: -77.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -888.255637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.255637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.255637 (E_RNA)
where:
Base-Base interactions energy: -613.437
where: short stacking energy: -260.517
Base-Backbone interact. energy: -0.622
local terms energy: -274.196153
where:
bonds (distance) C4'-P energy: -51.566
bonds (distance) P-C4' energy: -52.956
flat angles C4'-P-C4' energy: -50.745
flat angles P-C4'-P energy: -44.666
tors. eta vs tors. theta energy: -74.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -781.088674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.088674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.088674 (E_RNA)
where:
Base-Base interactions energy: -519.687
where: short stacking energy: -232.269
Base-Backbone interact. energy: -0.747
local terms energy: -260.654850
where:
bonds (distance) C4'-P energy: -47.384
bonds (distance) P-C4' energy: -52.327
flat angles C4'-P-C4' energy: -54.381
flat angles P-C4'-P energy: -41.462
tors. eta vs tors. theta energy: -65.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -694.452956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.452956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.452956 (E_RNA)
where:
Base-Base interactions energy: -467.866
where: short stacking energy: -204.214
Base-Backbone interact. energy: -1.377
local terms energy: -225.210490
where:
bonds (distance) C4'-P energy: -43.426
bonds (distance) P-C4' energy: -48.070
flat angles C4'-P-C4' energy: -50.824
flat angles P-C4'-P energy: -36.755
tors. eta vs tors. theta energy: -46.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -583.564564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.564564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.564564 (E_RNA)
where:
Base-Base interactions energy: -360.035
where: short stacking energy: -173.989
Base-Backbone interact. energy: 0.439
local terms energy: -223.968765
where:
bonds (distance) C4'-P energy: -42.180
bonds (distance) P-C4' energy: -61.377
flat angles C4'-P-C4' energy: -45.859
flat angles P-C4'-P energy: -29.522
tors. eta vs tors. theta energy: -45.031
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: 95
Temperature: 1.250000
Total energy: -486.223609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.223609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.223609 (E_RNA)
where:
Base-Base interactions energy: -278.432
where: short stacking energy: -129.097
Base-Backbone interact. energy: -0.550
local terms energy: -207.242470
where:
bonds (distance) C4'-P energy: -43.838
bonds (distance) P-C4' energy: -63.163
flat angles C4'-P-C4' energy: -47.131
flat angles P-C4'-P energy: -35.923
tors. eta vs tors. theta energy: -17.188
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: 9
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -461.242575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.242575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.242575 (E_RNA)
where:
Base-Base interactions energy: -275.763
where: short stacking energy: -142.959
Base-Backbone interact. energy: 1.473
local terms energy: -186.951918
where:
bonds (distance) C4'-P energy: -48.318
bonds (distance) P-C4' energy: -34.687
flat angles C4'-P-C4' energy: -46.847
flat angles P-C4'-P energy: -36.139
tors. eta vs tors. theta energy: -20.961
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: 10, replica: 1
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -449.505872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.505872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.505872 (E_RNA)
where:
Base-Base interactions energy: -265.325
where: short stacking energy: -128.390
Base-Backbone interact. energy: -1.340
local terms energy: -182.840579
where:
bonds (distance) C4'-P energy: -40.454
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -38.306
flat angles P-C4'-P energy: -24.039
tors. eta vs tors. theta energy: -24.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -1010.540424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.540424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.540424 (E_RNA)
where:
Base-Base interactions energy: -707.123
where: short stacking energy: -292.950
Base-Backbone interact. energy: -0.266
local terms energy: -303.150885
where:
bonds (distance) C4'-P energy: -62.034
bonds (distance) P-C4' energy: -54.444
flat angles C4'-P-C4' energy: -62.667
flat angles P-C4'-P energy: -43.490
tors. eta vs tors. theta energy: -80.517
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: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -935.129210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.129210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.129210 (E_RNA)
where:
Base-Base interactions energy: -637.780
where: short stacking energy: -277.239
Base-Backbone interact. energy: -1.234
local terms energy: -296.115695
where:
bonds (distance) C4'-P energy: -57.263
bonds (distance) P-C4' energy: -52.222
flat angles C4'-P-C4' energy: -64.057
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -77.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -923.015063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.015063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.015063 (E_RNA)
where:
Base-Base interactions energy: -634.171
where: short stacking energy: -274.920
Base-Backbone interact. energy: -0.207
local terms energy: -288.637097
where:
bonds (distance) C4'-P energy: -46.292
bonds (distance) P-C4' energy: -57.044
flat angles C4'-P-C4' energy: -62.626
flat angles P-C4'-P energy: -40.425
tors. eta vs tors. theta energy: -82.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -868.729048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.729048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.729048 (E_RNA)
where:
Base-Base interactions energy: -580.994
where: short stacking energy: -250.867
Base-Backbone interact. energy: -1.318
local terms energy: -286.416612
where:
bonds (distance) C4'-P energy: -62.666
bonds (distance) P-C4' energy: -55.666
flat angles C4'-P-C4' energy: -54.458
flat angles P-C4'-P energy: -40.094
tors. eta vs tors. theta energy: -73.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -773.088367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.088367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.088367 (E_RNA)
where:
Base-Base interactions energy: -506.008
where: short stacking energy: -210.803
Base-Backbone interact. energy: -0.848
local terms energy: -266.232588
where:
bonds (distance) C4'-P energy: -60.979
bonds (distance) P-C4' energy: -57.888
flat angles C4'-P-C4' energy: -52.098
flat angles P-C4'-P energy: -38.267
tors. eta vs tors. theta energy: -57.000
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: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -676.759530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.759530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.759530 (E_RNA)
where:
Base-Base interactions energy: -447.768
where: short stacking energy: -198.909
Base-Backbone interact. energy: -1.320
local terms energy: -227.671220
where:
bonds (distance) C4'-P energy: -52.361
bonds (distance) P-C4' energy: -54.760
flat angles C4'-P-C4' energy: -41.053
flat angles P-C4'-P energy: -32.318
tors. eta vs tors. theta energy: -47.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -637.587315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.587315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.587315 (E_RNA)
where:
Base-Base interactions energy: -411.792
where: short stacking energy: -187.293
Base-Backbone interact. energy: -0.574
local terms energy: -225.220534
where:
bonds (distance) C4'-P energy: -49.184
bonds (distance) P-C4' energy: -31.984
flat angles C4'-P-C4' energy: -53.856
flat angles P-C4'-P energy: -38.024
tors. eta vs tors. theta energy: -52.171
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: 8, replica: 10
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -535.514973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.514973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.514973 (E_RNA)
where:
Base-Base interactions energy: -336.144
where: short stacking energy: -157.977
Base-Backbone interact. energy: -1.939
local terms energy: -197.432234
where:
bonds (distance) C4'-P energy: -43.279
bonds (distance) P-C4' energy: -44.772
flat angles C4'-P-C4' energy: -46.876
flat angles P-C4'-P energy: -25.967
tors. eta vs tors. theta energy: -36.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -478.419295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.419295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.419295 (E_RNA)
where:
Base-Base interactions energy: -272.847
where: short stacking energy: -139.125
Base-Backbone interact. energy: 1.828
local terms energy: -207.400145
where:
bonds (distance) C4'-P energy: -52.522
bonds (distance) P-C4' energy: -49.153
flat angles C4'-P-C4' energy: -43.463
flat angles P-C4'-P energy: -40.133
tors. eta vs tors. theta energy: -22.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -407.004208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -407.004208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -407.004208 (E_RNA)
where:
Base-Base interactions energy: -200.389
where: short stacking energy: -109.280
Base-Backbone interact. energy: -0.570
local terms energy: -206.045453
where:
bonds (distance) C4'-P energy: -56.148
bonds (distance) P-C4' energy: -46.078
flat angles C4'-P-C4' energy: -52.807
flat angles P-C4'-P energy: -29.787
tors. eta vs tors. theta energy: -21.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1013.123521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.123521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.123521 (E_RNA)
where:
Base-Base interactions energy: -703.681
where: short stacking energy: -290.469
Base-Backbone interact. energy: -3.142
local terms energy: -306.300342
where:
bonds (distance) C4'-P energy: -57.625
bonds (distance) P-C4' energy: -60.354
flat angles C4'-P-C4' energy: -57.294
flat angles P-C4'-P energy: -45.700
tors. eta vs tors. theta energy: -85.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -942.345423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.345423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.345423 (E_RNA)
where:
Base-Base interactions energy: -640.625
where: short stacking energy: -289.041
Base-Backbone interact. energy: -0.413
local terms energy: -301.308104
where:
bonds (distance) C4'-P energy: -55.339
bonds (distance) P-C4' energy: -62.363
flat angles C4'-P-C4' energy: -60.687
flat angles P-C4'-P energy: -42.342
tors. eta vs tors. theta energy: -80.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -936.526027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.526027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.526027 (E_RNA)
where:
Base-Base interactions energy: -648.767
where: short stacking energy: -281.267
Base-Backbone interact. energy: 0.666
local terms energy: -288.425687
where:
bonds (distance) C4'-P energy: -49.937
bonds (distance) P-C4' energy: -51.752
flat angles C4'-P-C4' energy: -64.629
flat angles P-C4'-P energy: -42.160
tors. eta vs tors. theta energy: -79.947
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: 4, replica: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -856.342793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.342793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.342793 (E_RNA)
where:
Base-Base interactions energy: -579.766
where: short stacking energy: -268.108
Base-Backbone interact. energy: -0.723
local terms energy: -275.853723
where:
bonds (distance) C4'-P energy: -50.263
bonds (distance) P-C4' energy: -45.080
flat angles C4'-P-C4' energy: -60.991
flat angles P-C4'-P energy: -38.034
tors. eta vs tors. theta energy: -81.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -783.501123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.501123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.501123 (E_RNA)
where:
Base-Base interactions energy: -522.981
where: short stacking energy: -227.311
Base-Backbone interact. energy: -0.136
local terms energy: -260.384606
where:
bonds (distance) C4'-P energy: -62.987
bonds (distance) P-C4' energy: -56.974
flat angles C4'-P-C4' energy: -44.380
flat angles P-C4'-P energy: -38.101
tors. eta vs tors. theta energy: -57.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -636.495202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.495202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.495202 (E_RNA)
where:
Base-Base interactions energy: -406.761
where: short stacking energy: -198.852
Base-Backbone interact. energy: -0.950
local terms energy: -228.784610
where:
bonds (distance) C4'-P energy: -47.364
bonds (distance) P-C4' energy: -59.266
flat angles C4'-P-C4' energy: -46.270
flat angles P-C4'-P energy: -27.518
tors. eta vs tors. theta energy: -48.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -694.504532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.504532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.504532 (E_RNA)
where:
Base-Base interactions energy: -452.813
where: short stacking energy: -206.308
Base-Backbone interact. energy: -0.210
local terms energy: -241.482156
where:
bonds (distance) C4'-P energy: -53.466
bonds (distance) P-C4' energy: -53.580
flat angles C4'-P-C4' energy: -44.769
flat angles P-C4'-P energy: -39.716
tors. eta vs tors. theta energy: -49.952
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: 10
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -546.895124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.895124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.895124 (E_RNA)
where:
Base-Base interactions energy: -317.910
where: short stacking energy: -139.190
Base-Backbone interact. energy: -0.656
local terms energy: -228.328368
where:
bonds (distance) C4'-P energy: -54.151
bonds (distance) P-C4' energy: -56.666
flat angles C4'-P-C4' energy: -43.338
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -36.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -466.558536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.558536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.558536 (E_RNA)
where:
Base-Base interactions energy: -272.300
where: short stacking energy: -143.833
Base-Backbone interact. energy: 1.500
local terms energy: -195.758778
where:
bonds (distance) C4'-P energy: -57.889
bonds (distance) P-C4' energy: -49.913
flat angles C4'-P-C4' energy: -42.379
flat angles P-C4'-P energy: -15.647
tors. eta vs tors. theta energy: -29.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -412.482753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.482753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.482753 (E_RNA)
where:
Base-Base interactions energy: -229.845
where: short stacking energy: -132.502
Base-Backbone interact. energy: 0.520
local terms energy: -183.157838
where:
bonds (distance) C4'-P energy: -37.579
bonds (distance) P-C4' energy: -49.336
flat angles C4'-P-C4' energy: -51.630
flat angles P-C4'-P energy: -24.648
tors. eta vs tors. theta energy: -19.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1012.909930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.909930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.909930 (E_RNA)
where:
Base-Base interactions energy: -701.865
where: short stacking energy: -296.196
Base-Backbone interact. energy: -0.231
local terms energy: -310.813680
where:
bonds (distance) C4'-P energy: -60.894
bonds (distance) P-C4' energy: -62.780
flat angles C4'-P-C4' energy: -67.639
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: -84.320
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: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -934.428252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.428252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.428252 (E_RNA)
where:
Base-Base interactions energy: -618.168
where: short stacking energy: -275.771
Base-Backbone interact. energy: 0.163
local terms energy: -316.423116
where:
bonds (distance) C4'-P energy: -55.076
bonds (distance) P-C4' energy: -58.880
flat angles C4'-P-C4' energy: -67.288
flat angles P-C4'-P energy: -48.814
tors. eta vs tors. theta energy: -86.366
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: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -946.363763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.363763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.363763 (E_RNA)
where:
Base-Base interactions energy: -663.732
where: short stacking energy: -284.469
Base-Backbone interact. energy: 0.779
local terms energy: -283.410164
where:
bonds (distance) C4'-P energy: -48.003
bonds (distance) P-C4' energy: -57.510
flat angles C4'-P-C4' energy: -60.990
flat angles P-C4'-P energy: -31.824
tors. eta vs tors. theta energy: -85.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -857.600360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.600360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.600360 (E_RNA)
where:
Base-Base interactions energy: -581.941
where: short stacking energy: -270.656
Base-Backbone interact. energy: 1.240
local terms energy: -276.899295
where:
bonds (distance) C4'-P energy: -47.167
bonds (distance) P-C4' energy: -50.796
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -41.530
tors. eta vs tors. theta energy: -78.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -780.768083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.768083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.768083 (E_RNA)
where:
Base-Base interactions energy: -542.181
where: short stacking energy: -231.845
Base-Backbone interact. energy: -0.684
local terms energy: -237.902538
where:
bonds (distance) C4'-P energy: -47.939
bonds (distance) P-C4' energy: -47.676
flat angles C4'-P-C4' energy: -54.667
flat angles P-C4'-P energy: -29.560
tors. eta vs tors. theta energy: -58.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -614.321254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.321254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.321254 (E_RNA)
where:
Base-Base interactions energy: -370.432
where: short stacking energy: -171.419
Base-Backbone interact. energy: -0.911
local terms energy: -242.977476
where:
bonds (distance) C4'-P energy: -51.329
bonds (distance) P-C4' energy: -61.410
flat angles C4'-P-C4' energy: -52.061
flat angles P-C4'-P energy: -40.390
tors. eta vs tors. theta energy: -37.788
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: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -663.121951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.121951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.121951 (E_RNA)
where:
Base-Base interactions energy: -447.718
where: short stacking energy: -211.865
Base-Backbone interact. energy: 2.959
local terms energy: -218.363272
where:
bonds (distance) C4'-P energy: -47.435
bonds (distance) P-C4' energy: -37.323
flat angles C4'-P-C4' energy: -50.818
flat angles P-C4'-P energy: -40.718
tors. eta vs tors. theta energy: -42.070
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: 98
Temperature: 1.250000
Total energy: -521.080920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.080920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.080920 (E_RNA)
where:
Base-Base interactions energy: -316.876
where: short stacking energy: -158.304
Base-Backbone interact. energy: -0.175
local terms energy: -204.030473
where:
bonds (distance) C4'-P energy: -48.142
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -48.462
flat angles P-C4'-P energy: -22.696
tors. eta vs tors. theta energy: -37.185
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: 9
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -491.042913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.042913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.042913 (E_RNA)
where:
Base-Base interactions energy: -294.047
where: short stacking energy: -144.199
Base-Backbone interact. energy: 1.054
local terms energy: -198.049759
where:
bonds (distance) C4'-P energy: -49.579
bonds (distance) P-C4' energy: -41.577
flat angles C4'-P-C4' energy: -42.443
flat angles P-C4'-P energy: -26.344
tors. eta vs tors. theta energy: -38.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -394.052455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.052455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.052455 (E_RNA)
where:
Base-Base interactions energy: -230.580
where: short stacking energy: -140.682
Base-Backbone interact. energy: -0.220
local terms energy: -163.252405
where:
bonds (distance) C4'-P energy: -38.348
bonds (distance) P-C4' energy: -35.767
flat angles C4'-P-C4' energy: -38.371
flat angles P-C4'-P energy: -31.204
tors. eta vs tors. theta energy: -19.563
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: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1017.528927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.528927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.528927 (E_RNA)
where:
Base-Base interactions energy: -694.009
where: short stacking energy: -302.312
Base-Backbone interact. energy: -1.425
local terms energy: -322.094287
where:
bonds (distance) C4'-P energy: -57.159
bonds (distance) P-C4' energy: -65.163
flat angles C4'-P-C4' energy: -69.156
flat angles P-C4'-P energy: -44.170
tors. eta vs tors. theta energy: -86.446
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: 99
Temperature: 0.950000
Total energy: -988.854237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.854237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.854237 (E_RNA)
where:
Base-Base interactions energy: -680.127
where: short stacking energy: -298.663
Base-Backbone interact. energy: -1.679
local terms energy: -307.048472
where:
bonds (distance) C4'-P energy: -50.270
bonds (distance) P-C4' energy: -53.932
flat angles C4'-P-C4' energy: -70.676
flat angles P-C4'-P energy: -48.286
tors. eta vs tors. theta energy: -83.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -905.204918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.204918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.204918 (E_RNA)
where:
Base-Base interactions energy: -623.033
where: short stacking energy: -264.141
Base-Backbone interact. energy: -1.153
local terms energy: -281.018738
where:
bonds (distance) C4'-P energy: -50.387
bonds (distance) P-C4' energy: -62.215
flat angles C4'-P-C4' energy: -54.812
flat angles P-C4'-P energy: -39.466
tors. eta vs tors. theta energy: -74.139
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: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -879.720447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.720447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.720447 (E_RNA)
where:
Base-Base interactions energy: -603.174
where: short stacking energy: -266.456
Base-Backbone interact. energy: 0.476
local terms energy: -277.022345
where:
bonds (distance) C4'-P energy: -51.412
bonds (distance) P-C4' energy: -47.270
flat angles C4'-P-C4' energy: -61.856
flat angles P-C4'-P energy: -37.329
tors. eta vs tors. theta energy: -79.155
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: 3
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -760.085219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.085219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.085219 (E_RNA)
where:
Base-Base interactions energy: -536.769
where: short stacking energy: -232.312
Base-Backbone interact. energy: 3.037
local terms energy: -226.352741
where:
bonds (distance) C4'-P energy: -49.688
bonds (distance) P-C4' energy: -50.189
flat angles C4'-P-C4' energy: -51.880
flat angles P-C4'-P energy: -20.551
tors. eta vs tors. theta energy: -54.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -648.092023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.092023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.092023 (E_RNA)
where:
Base-Base interactions energy: -413.151
where: short stacking energy: -177.321
Base-Backbone interact. energy: -0.139
local terms energy: -234.801925
where:
bonds (distance) C4'-P energy: -50.506
bonds (distance) P-C4' energy: -43.395
flat angles C4'-P-C4' energy: -48.274
flat angles P-C4'-P energy: -47.041
tors. eta vs tors. theta energy: -45.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -612.984445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.984445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.984445 (E_RNA)
where:
Base-Base interactions energy: -377.112
where: short stacking energy: -191.824
Base-Backbone interact. energy: -0.424
local terms energy: -235.448821
where:
bonds (distance) C4'-P energy: -51.574
bonds (distance) P-C4' energy: -45.960
flat angles C4'-P-C4' energy: -44.335
flat angles P-C4'-P energy: -44.257
tors. eta vs tors. theta energy: -49.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -504.268746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.268746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.268746 (E_RNA)
where:
Base-Base interactions energy: -305.966
where: short stacking energy: -158.687
Base-Backbone interact. energy: 1.482
local terms energy: -199.784969
where:
bonds (distance) C4'-P energy: -47.842
bonds (distance) P-C4' energy: -46.493
flat angles C4'-P-C4' energy: -36.350
flat angles P-C4'-P energy: -37.260
tors. eta vs tors. theta energy: -31.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -491.081998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.081998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.081998 (E_RNA)
where:
Base-Base interactions energy: -287.105
where: short stacking energy: -138.760
Base-Backbone interact. energy: -0.117
local terms energy: -203.860415
where:
bonds (distance) C4'-P energy: -44.813
bonds (distance) P-C4' energy: -50.085
flat angles C4'-P-C4' energy: -45.224
flat angles P-C4'-P energy: -39.543
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -364.190723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.190723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.190723 (E_RNA)
where:
Base-Base interactions energy: -204.473
where: short stacking energy: -110.538
Base-Backbone interact. energy: 1.023
local terms energy: -160.740609
where:
bonds (distance) C4'-P energy: -43.801
bonds (distance) P-C4' energy: -50.080
flat angles C4'-P-C4' energy: -38.842
flat angles P-C4'-P energy: -22.027
tors. eta vs tors. theta energy: -5.991
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: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -972.253155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.253155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.253155 (E_RNA)
where:
Base-Base interactions energy: -697.884
where: short stacking energy: -284.660
Base-Backbone interact. energy: -2.072
local terms energy: -272.297886
where:
bonds (distance) C4'-P energy: -48.466
bonds (distance) P-C4' energy: -47.570
flat angles C4'-P-C4' energy: -54.284
flat angles P-C4'-P energy: -40.780
tors. eta vs tors. theta energy: -81.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -991.801326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.801326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.801326 (E_RNA)
where:
Base-Base interactions energy: -683.992
where: short stacking energy: -298.274
Base-Backbone interact. energy: 0.161
local terms energy: -307.970453
where:
bonds (distance) C4'-P energy: -56.654
bonds (distance) P-C4' energy: -60.458
flat angles C4'-P-C4' energy: -56.424
flat angles P-C4'-P energy: -46.726
tors. eta vs tors. theta energy: -87.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -908.890467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.890467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.890467 (E_RNA)
where:
Base-Base interactions energy: -596.937
where: short stacking energy: -282.567
Base-Backbone interact. energy: -0.700
local terms energy: -311.253169
where:
bonds (distance) C4'-P energy: -61.928
bonds (distance) P-C4' energy: -65.454
flat angles C4'-P-C4' energy: -55.944
flat angles P-C4'-P energy: -42.505
tors. eta vs tors. theta energy: -85.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -862.690734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.690734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.690734 (E_RNA)
where:
Base-Base interactions energy: -588.848
where: short stacking energy: -269.761
Base-Backbone interact. energy: -1.131
local terms energy: -272.712285
where:
bonds (distance) C4'-P energy: -51.956
bonds (distance) P-C4' energy: -49.949
flat angles C4'-P-C4' energy: -59.205
flat angles P-C4'-P energy: -40.902
tors. eta vs tors. theta energy: -70.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -667.879263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.879263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.879263 (E_RNA)
where:
Base-Base interactions energy: -459.508
where: short stacking energy: -205.378
Base-Backbone interact. energy: -2.961
local terms energy: -205.409876
where:
bonds (distance) C4'-P energy: -53.154
bonds (distance) P-C4' energy: -40.254
flat angles C4'-P-C4' energy: -47.277
flat angles P-C4'-P energy: -22.277
tors. eta vs tors. theta energy: -42.447
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: 6, replica: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -740.436764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.436764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.436764 (E_RNA)
where:
Base-Base interactions energy: -473.039
where: short stacking energy: -218.441
Base-Backbone interact. energy: -1.107
local terms energy: -266.291086
where:
bonds (distance) C4'-P energy: -50.982
bonds (distance) P-C4' energy: -55.814
flat angles C4'-P-C4' energy: -57.079
flat angles P-C4'-P energy: -32.013
tors. eta vs tors. theta energy: -70.403
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: 6
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -601.895805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.895805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.895805 (E_RNA)
where:
Base-Base interactions energy: -382.698
where: short stacking energy: -197.004
Base-Backbone interact. energy: -0.864
local terms energy: -218.334207
where:
bonds (distance) C4'-P energy: -34.388
bonds (distance) P-C4' energy: -55.472
flat angles C4'-P-C4' energy: -46.586
flat angles P-C4'-P energy: -34.800
tors. eta vs tors. theta energy: -47.087
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: 100
Temperature: 1.250000
Total energy: -485.334345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.334345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.334345 (E_RNA)
where:
Base-Base interactions energy: -283.208
where: short stacking energy: -140.437
Base-Backbone interact. energy: -1.803
local terms energy: -200.323168
where:
bonds (distance) C4'-P energy: -51.462
bonds (distance) P-C4' energy: -52.670
flat angles C4'-P-C4' energy: -45.127
flat angles P-C4'-P energy: -25.513
tors. eta vs tors. theta energy: -25.551
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: 9
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -493.845132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.845132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.845132 (E_RNA)
where:
Base-Base interactions energy: -299.647
where: short stacking energy: -137.847
Base-Backbone interact. energy: -0.643
local terms energy: -193.554963
where:
bonds (distance) C4'-P energy: -43.697
bonds (distance) P-C4' energy: -51.816
flat angles C4'-P-C4' energy: -41.829
flat angles P-C4'-P energy: -27.796
tors. eta vs tors. theta energy: -28.417
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: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -348.993662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.993662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.993662 (E_RNA)
where:
Base-Base interactions energy: -183.777
where: short stacking energy: -103.795
Base-Backbone interact. energy: -0.853
local terms energy: -164.364106
where:
bonds (distance) C4'-P energy: -32.256
bonds (distance) P-C4' energy: -43.192
flat angles C4'-P-C4' energy: -43.485
flat angles P-C4'-P energy: -40.839
tors. eta vs tors. theta energy: -4.592
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: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1014.400394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.400394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.400394 (E_RNA)
where:
Base-Base interactions energy: -693.658
where: short stacking energy: -289.449
Base-Backbone interact. energy: -2.165
local terms energy: -318.577180
where:
bonds (distance) C4'-P energy: -57.847
bonds (distance) P-C4' energy: -59.211
flat angles C4'-P-C4' energy: -67.408
flat angles P-C4'-P energy: -44.308
tors. eta vs tors. theta energy: -89.803
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: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1010.556402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.556402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.556402 (E_RNA)
where:
Base-Base interactions energy: -708.736
where: short stacking energy: -290.727
Base-Backbone interact. energy: -0.991
local terms energy: -300.828816
where:
bonds (distance) C4'-P energy: -57.680
bonds (distance) P-C4' energy: -55.215
flat angles C4'-P-C4' energy: -65.425
flat angles P-C4'-P energy: -39.423
tors. eta vs tors. theta energy: -83.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -924.147755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.147755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.147755 (E_RNA)
where:
Base-Base interactions energy: -611.217
where: short stacking energy: -295.734
Base-Backbone interact. energy: -1.989
local terms energy: -310.941537
where:
bonds (distance) C4'-P energy: -62.292
bonds (distance) P-C4' energy: -56.438
flat angles C4'-P-C4' energy: -70.783
flat angles P-C4'-P energy: -36.828
tors. eta vs tors. theta energy: -84.601
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: 2
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -871.634857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.634857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.634857 (E_RNA)
where:
Base-Base interactions energy: -581.586
where: short stacking energy: -256.542
Base-Backbone interact. energy: -0.890
local terms energy: -289.159361
where:
bonds (distance) C4'-P energy: -55.868
bonds (distance) P-C4' energy: -49.987
flat angles C4'-P-C4' energy: -70.225
flat angles P-C4'-P energy: -40.897
tors. eta vs tors. theta energy: -72.182
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: 5
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -695.077266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.077266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.077266 (E_RNA)
where:
Base-Base interactions energy: -462.888
where: short stacking energy: -197.816
Base-Backbone interact. energy: -1.072
local terms energy: -231.117293
where:
bonds (distance) C4'-P energy: -48.055
bonds (distance) P-C4' energy: -48.063
flat angles C4'-P-C4' energy: -58.193
flat angles P-C4'-P energy: -27.872
tors. eta vs tors. theta energy: -48.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -736.167100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.167100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.167100 (E_RNA)
where:
Base-Base interactions energy: -489.295
where: short stacking energy: -210.584
Base-Backbone interact. energy: -0.349
local terms energy: -246.523360
where:
bonds (distance) C4'-P energy: -52.825
bonds (distance) P-C4' energy: -47.516
flat angles C4'-P-C4' energy: -51.185
flat angles P-C4'-P energy: -36.604
tors. eta vs tors. theta energy: -58.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -601.232643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.232643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.232643 (E_RNA)
where:
Base-Base interactions energy: -380.988
where: short stacking energy: -182.816
Base-Backbone interact. energy: 1.740
local terms energy: -221.984896
where:
bonds (distance) C4'-P energy: -40.336
bonds (distance) P-C4' energy: -55.393
flat angles C4'-P-C4' energy: -50.596
flat angles P-C4'-P energy: -36.031
tors. eta vs tors. theta energy: -39.629
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: 101
Temperature: 1.250000
Total energy: -500.217978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.217978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.217978 (E_RNA)
where:
Base-Base interactions energy: -303.613
where: short stacking energy: -152.328
Base-Backbone interact. energy: -0.713
local terms energy: -195.891689
where:
bonds (distance) C4'-P energy: -42.458
bonds (distance) P-C4' energy: -47.975
flat angles C4'-P-C4' energy: -48.476
flat angles P-C4'-P energy: -31.295
tors. eta vs tors. theta energy: -25.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -440.469091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.469091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.469091 (E_RNA)
where:
Base-Base interactions energy: -246.377
where: short stacking energy: -120.772
Base-Backbone interact. energy: -0.137
local terms energy: -193.954627
where:
bonds (distance) C4'-P energy: -44.032
bonds (distance) P-C4' energy: -52.657
flat angles C4'-P-C4' energy: -43.665
flat angles P-C4'-P energy: -31.742
tors. eta vs tors. theta energy: -21.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -375.503997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.503997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.503997 (E_RNA)
where:
Base-Base interactions energy: -221.644
where: short stacking energy: -132.900
Base-Backbone interact. energy: -1.246
local terms energy: -152.613779
where:
bonds (distance) C4'-P energy: -34.999
bonds (distance) P-C4' energy: -42.459
flat angles C4'-P-C4' energy: -40.203
flat angles P-C4'-P energy: -23.853
tors. eta vs tors. theta energy: -11.099
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: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1030.757733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.757733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.757733 (E_RNA)
where:
Base-Base interactions energy: -722.467
where: short stacking energy: -313.493
Base-Backbone interact. energy: -0.531
local terms energy: -307.759505
where:
bonds (distance) C4'-P energy: -53.291
bonds (distance) P-C4' energy: -55.578
flat angles C4'-P-C4' energy: -65.897
flat angles P-C4'-P energy: -43.117
tors. eta vs tors. theta energy: -89.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -992.499360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.499360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.499360 (E_RNA)
where:
Base-Base interactions energy: -690.376
where: short stacking energy: -273.538
Base-Backbone interact. energy: -2.266
local terms energy: -299.857547
where:
bonds (distance) C4'-P energy: -52.174
bonds (distance) P-C4' energy: -58.852
flat angles C4'-P-C4' energy: -63.419
flat angles P-C4'-P energy: -37.394
tors. eta vs tors. theta energy: -88.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -893.294630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.294630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.294630 (E_RNA)
where:
Base-Base interactions energy: -582.908
where: short stacking energy: -272.915
Base-Backbone interact. energy: -0.998
local terms energy: -309.388395
where:
bonds (distance) C4'-P energy: -55.215
bonds (distance) P-C4' energy: -58.493
flat angles C4'-P-C4' energy: -65.616
flat angles P-C4'-P energy: -45.785
tors. eta vs tors. theta energy: -84.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -887.535868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.535868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.535868 (E_RNA)
where:
Base-Base interactions energy: -618.607
where: short stacking energy: -269.322
Base-Backbone interact. energy: 0.141
local terms energy: -269.070668
where:
bonds (distance) C4'-P energy: -41.113
bonds (distance) P-C4' energy: -55.433
flat angles C4'-P-C4' energy: -62.028
flat angles P-C4'-P energy: -37.100
tors. eta vs tors. theta energy: -73.396
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: 5, replica: 3
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -765.601685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.601685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.601685 (E_RNA)
where:
Base-Base interactions energy: -507.393
where: short stacking energy: -224.406
Base-Backbone interact. energy: 0.424
local terms energy: -258.632440
where:
bonds (distance) C4'-P energy: -47.157
bonds (distance) P-C4' energy: -55.951
flat angles C4'-P-C4' energy: -50.697
flat angles P-C4'-P energy: -41.934
tors. eta vs tors. theta energy: -62.894
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: 5
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -682.072352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.072352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.072352 (E_RNA)
where:
Base-Base interactions energy: -450.313
where: short stacking energy: -212.316
Base-Backbone interact. energy: -0.791
local terms energy: -230.968178
where:
bonds (distance) C4'-P energy: -49.024
bonds (distance) P-C4' energy: -50.555
flat angles C4'-P-C4' energy: -53.293
flat angles P-C4'-P energy: -37.659
tors. eta vs tors. theta energy: -40.437
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: 6
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -617.979630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.979630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.979630 (E_RNA)
where:
Base-Base interactions energy: -388.075
where: short stacking energy: -172.903
Base-Backbone interact. energy: -1.004
local terms energy: -228.900406
where:
bonds (distance) C4'-P energy: -49.363
bonds (distance) P-C4' energy: -50.170
flat angles C4'-P-C4' energy: -53.872
flat angles P-C4'-P energy: -32.162
tors. eta vs tors. theta energy: -43.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -526.995787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.995787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.995787 (E_RNA)
where:
Base-Base interactions energy: -338.841
where: short stacking energy: -146.811
Base-Backbone interact. energy: 2.155
local terms energy: -190.310186
where:
bonds (distance) C4'-P energy: -49.518
bonds (distance) P-C4' energy: -48.758
flat angles C4'-P-C4' energy: -41.815
flat angles P-C4'-P energy: -21.478
tors. eta vs tors. theta energy: -28.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -425.521840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.521840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.521840 (E_RNA)
where:
Base-Base interactions energy: -226.411
where: short stacking energy: -118.157
Base-Backbone interact. energy: -0.983
local terms energy: -198.127592
where:
bonds (distance) C4'-P energy: -50.583
bonds (distance) P-C4' energy: -48.158
flat angles C4'-P-C4' energy: -56.485
flat angles P-C4'-P energy: -31.535
tors. eta vs tors. theta energy: -11.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -413.764280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -413.764280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -413.764280 (E_RNA)
where:
Base-Base interactions energy: -232.773
where: short stacking energy: -163.634
Base-Backbone interact. energy: -1.091
local terms energy: -179.899441
where:
bonds (distance) C4'-P energy: -42.743
bonds (distance) P-C4' energy: -39.047
flat angles C4'-P-C4' energy: -40.928
flat angles P-C4'-P energy: -30.199
tors. eta vs tors. theta energy: -26.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1037.110066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.110066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.110066 (E_RNA)
where:
Base-Base interactions energy: -728.198
where: short stacking energy: -317.549
Base-Backbone interact. energy: -0.864
local terms energy: -308.048517
where:
bonds (distance) C4'-P energy: -48.264
bonds (distance) P-C4' energy: -55.014
flat angles C4'-P-C4' energy: -69.563
flat angles P-C4'-P energy: -46.469
tors. eta vs tors. theta energy: -88.738
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: 7
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -963.156681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.156681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.156681 (E_RNA)
where:
Base-Base interactions energy: -664.262
where: short stacking energy: -275.522
Base-Backbone interact. energy: 1.417
local terms energy: -300.311149
where:
bonds (distance) C4'-P energy: -52.123
bonds (distance) P-C4' energy: -62.698
flat angles C4'-P-C4' energy: -63.631
flat angles P-C4'-P energy: -38.171
tors. eta vs tors. theta energy: -83.688
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: 8
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -889.330859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.330859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.330859 (E_RNA)
where:
Base-Base interactions energy: -604.498
where: short stacking energy: -276.996
Base-Backbone interact. energy: -1.736
local terms energy: -283.097149
where:
bonds (distance) C4'-P energy: -52.106
bonds (distance) P-C4' energy: -48.788
flat angles C4'-P-C4' energy: -58.144
flat angles P-C4'-P energy: -42.340
tors. eta vs tors. theta energy: -81.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -885.238950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.238950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.238950 (E_RNA)
where:
Base-Base interactions energy: -592.670
where: short stacking energy: -255.714
Base-Backbone interact. energy: 3.285
local terms energy: -295.853496
where:
bonds (distance) C4'-P energy: -50.900
bonds (distance) P-C4' energy: -60.110
flat angles C4'-P-C4' energy: -62.604
flat angles P-C4'-P energy: -44.885
tors. eta vs tors. theta energy: -77.354
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: 3
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -768.049359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.049359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.049359 (E_RNA)
where:
Base-Base interactions energy: -505.524
where: short stacking energy: -223.316
Base-Backbone interact. energy: -1.371
local terms energy: -261.154460
where:
bonds (distance) C4'-P energy: -50.261
bonds (distance) P-C4' energy: -48.478
flat angles C4'-P-C4' energy: -63.033
flat angles P-C4'-P energy: -42.150
tors. eta vs tors. theta energy: -57.231
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: 6, replica: 5
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -666.866954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.866954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.866954 (E_RNA)
where:
Base-Base interactions energy: -442.484
where: short stacking energy: -210.286
Base-Backbone interact. energy: -2.095
local terms energy: -222.288414
where:
bonds (distance) C4'-P energy: -47.152
bonds (distance) P-C4' energy: -58.806
flat angles C4'-P-C4' energy: -45.461
flat angles P-C4'-P energy: -24.383
tors. eta vs tors. theta energy: -46.488
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: 6
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -545.986459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.986459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.986459 (E_RNA)
where:
Base-Base interactions energy: -356.434
where: short stacking energy: -162.341
Base-Backbone interact. energy: -1.951
local terms energy: -187.601585
where:
bonds (distance) C4'-P energy: -49.141
bonds (distance) P-C4' energy: -43.608
flat angles C4'-P-C4' energy: -42.382
flat angles P-C4'-P energy: -24.485
tors. eta vs tors. theta energy: -27.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -484.512473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.512473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.512473 (E_RNA)
where:
Base-Base interactions energy: -299.017
where: short stacking energy: -146.990
Base-Backbone interact. energy: -0.951
local terms energy: -184.544894
where:
bonds (distance) C4'-P energy: -43.115
bonds (distance) P-C4' energy: -46.136
flat angles C4'-P-C4' energy: -54.052
flat angles P-C4'-P energy: -21.515
tors. eta vs tors. theta energy: -19.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -444.279774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.279774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.279774 (E_RNA)
where:
Base-Base interactions energy: -268.267
where: short stacking energy: -123.567
Base-Backbone interact. energy: -0.183
local terms energy: -175.829412
where:
bonds (distance) C4'-P energy: -40.509
bonds (distance) P-C4' energy: -55.337
flat angles C4'-P-C4' energy: -47.928
flat angles P-C4'-P energy: -21.567
tors. eta vs tors. theta energy: -10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -349.352932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.352932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.352932 (E_RNA)
where:
Base-Base interactions energy: -178.316
where: short stacking energy: -117.063
Base-Backbone interact. energy: 1.966
local terms energy: -173.002912
where:
bonds (distance) C4'-P energy: -48.627
bonds (distance) P-C4' energy: -38.571
flat angles C4'-P-C4' energy: -50.124
flat angles P-C4'-P energy: -25.652
tors. eta vs tors. theta energy: -10.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1025.463318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.463318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.463318 (E_RNA)
where:
Base-Base interactions energy: -725.002
where: short stacking energy: -306.331
Base-Backbone interact. energy: -1.473
local terms energy: -298.988342
where:
bonds (distance) C4'-P energy: -52.310
bonds (distance) P-C4' energy: -57.853
flat angles C4'-P-C4' energy: -58.666
flat angles P-C4'-P energy: -40.125
tors. eta vs tors. theta energy: -90.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -991.875393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.875393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.875393 (E_RNA)
where:
Base-Base interactions energy: -677.114
where: short stacking energy: -277.823
Base-Backbone interact. energy: -3.816
local terms energy: -310.945889
where:
bonds (distance) C4'-P energy: -59.574
bonds (distance) P-C4' energy: -59.061
flat angles C4'-P-C4' energy: -66.693
flat angles P-C4'-P energy: -45.801
tors. eta vs tors. theta energy: -79.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -905.788982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.788982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.788982 (E_RNA)
where:
Base-Base interactions energy: -620.929
where: short stacking energy: -277.849
Base-Backbone interact. energy: -1.319
local terms energy: -283.541208
where:
bonds (distance) C4'-P energy: -47.621
bonds (distance) P-C4' energy: -58.066
flat angles C4'-P-C4' energy: -59.443
flat angles P-C4'-P energy: -42.885
tors. eta vs tors. theta energy: -75.527
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: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -860.572083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.572083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.572083 (E_RNA)
where:
Base-Base interactions energy: -593.691
where: short stacking energy: -264.704
Base-Backbone interact. energy: -0.751
local terms energy: -266.130865
where:
bonds (distance) C4'-P energy: -39.032
bonds (distance) P-C4' energy: -53.050
flat angles C4'-P-C4' energy: -56.085
flat angles P-C4'-P energy: -40.616
tors. eta vs tors. theta energy: -77.348
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: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -765.777780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.777780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.777780 (E_RNA)
where:
Base-Base interactions energy: -516.451
where: short stacking energy: -233.271
Base-Backbone interact. energy: 0.385
local terms energy: -249.711983
where:
bonds (distance) C4'-P energy: -57.240
bonds (distance) P-C4' energy: -49.361
flat angles C4'-P-C4' energy: -48.976
flat angles P-C4'-P energy: -32.482
tors. eta vs tors. theta energy: -61.653
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: 104
Temperature: 1.150000
Total energy: -649.222990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.222990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.222990 (E_RNA)
where:
Base-Base interactions energy: -417.942
where: short stacking energy: -183.713
Base-Backbone interact. energy: -2.335
local terms energy: -228.946460
where:
bonds (distance) C4'-P energy: -52.830
bonds (distance) P-C4' energy: -52.558
flat angles C4'-P-C4' energy: -50.049
flat angles P-C4'-P energy: -30.153
tors. eta vs tors. theta energy: -43.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -535.029662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -535.029662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -535.029662 (E_RNA)
where:
Base-Base interactions energy: -299.796
where: short stacking energy: -146.219
Base-Backbone interact. energy: -0.445
local terms energy: -234.788164
where:
bonds (distance) C4'-P energy: -48.979
bonds (distance) P-C4' energy: -59.176
flat angles C4'-P-C4' energy: -57.171
flat angles P-C4'-P energy: -35.441
tors. eta vs tors. theta energy: -34.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -550.188310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.188310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.188310 (E_RNA)
where:
Base-Base interactions energy: -366.208
where: short stacking energy: -156.381
Base-Backbone interact. energy: 1.894
local terms energy: -185.874662
where:
bonds (distance) C4'-P energy: -37.400
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -49.571
flat angles P-C4'-P energy: -23.841
tors. eta vs tors. theta energy: -24.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -471.841382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.841382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.841382 (E_RNA)
where:
Base-Base interactions energy: -281.534
where: short stacking energy: -135.804
Base-Backbone interact. energy: 1.219
local terms energy: -191.526797
where:
bonds (distance) C4'-P energy: -51.741
bonds (distance) P-C4' energy: -43.779
flat angles C4'-P-C4' energy: -44.874
flat angles P-C4'-P energy: -31.112
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -343.357030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.357030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.357030 (E_RNA)
where:
Base-Base interactions energy: -158.870
where: short stacking energy: -97.590
Base-Backbone interact. energy: -0.232
local terms energy: -184.255191
where:
bonds (distance) C4'-P energy: -50.084
bonds (distance) P-C4' energy: -53.642
flat angles C4'-P-C4' energy: -45.909
flat angles P-C4'-P energy: -20.251
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1021.485721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.485721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.485721 (E_RNA)
where:
Base-Base interactions energy: -721.099
where: short stacking energy: -293.575
Base-Backbone interact. energy: -1.773
local terms energy: -298.613845
where:
bonds (distance) C4'-P energy: -49.087
bonds (distance) P-C4' energy: -49.632
flat angles C4'-P-C4' energy: -64.630
flat angles P-C4'-P energy: -43.891
tors. eta vs tors. theta energy: -91.374
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: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -936.353410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.353410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.353410 (E_RNA)
where:
Base-Base interactions energy: -659.094
where: short stacking energy: -282.806
Base-Backbone interact. energy: -1.512
local terms energy: -275.746590
where:
bonds (distance) C4'-P energy: -46.657
bonds (distance) P-C4' energy: -46.186
flat angles C4'-P-C4' energy: -64.023
flat angles P-C4'-P energy: -39.537
tors. eta vs tors. theta energy: -79.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -912.850726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.850726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.850726 (E_RNA)
where:
Base-Base interactions energy: -638.883
where: short stacking energy: -263.771
Base-Backbone interact. energy: -1.050
local terms energy: -272.917500
where:
bonds (distance) C4'-P energy: -52.497
bonds (distance) P-C4' energy: -56.303
flat angles C4'-P-C4' energy: -60.351
flat angles P-C4'-P energy: -27.995
tors. eta vs tors. theta energy: -75.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -880.030945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.030945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.030945 (E_RNA)
where:
Base-Base interactions energy: -604.354
where: short stacking energy: -261.830
Base-Backbone interact. energy: -2.166
local terms energy: -273.509997
where:
bonds (distance) C4'-P energy: -51.123
bonds (distance) P-C4' energy: -54.570
flat angles C4'-P-C4' energy: -49.364
flat angles P-C4'-P energy: -42.885
tors. eta vs tors. theta energy: -75.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -760.892953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.892953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.892953 (E_RNA)
where:
Base-Base interactions energy: -510.879
where: short stacking energy: -215.142
Base-Backbone interact. energy: -0.882
local terms energy: -249.132546
where:
bonds (distance) C4'-P energy: -50.608
bonds (distance) P-C4' energy: -58.264
flat angles C4'-P-C4' energy: -50.955
flat angles P-C4'-P energy: -35.992
tors. eta vs tors. theta energy: -53.313
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: 5
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -638.517069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.517069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.517069 (E_RNA)
where:
Base-Base interactions energy: -430.681
where: short stacking energy: -184.003
Base-Backbone interact. energy: 0.308
local terms energy: -208.144494
where:
bonds (distance) C4'-P energy: -47.426
bonds (distance) P-C4' energy: -55.267
flat angles C4'-P-C4' energy: -46.618
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -30.377
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: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -478.026796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.026796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.026796 (E_RNA)
where:
Base-Base interactions energy: -277.125
where: short stacking energy: -144.131
Base-Backbone interact. energy: 2.121
local terms energy: -203.022947
where:
bonds (distance) C4'-P energy: -53.192
bonds (distance) P-C4' energy: -49.016
flat angles C4'-P-C4' energy: -43.400
flat angles P-C4'-P energy: -32.213
tors. eta vs tors. theta energy: -25.203
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: 105
Temperature: 1.250000
Total energy: -543.390005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.390005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.390005 (E_RNA)
where:
Base-Base interactions energy: -339.203
where: short stacking energy: -160.487
Base-Backbone interact. energy: -1.241
local terms energy: -202.946003
where:
bonds (distance) C4'-P energy: -46.473
bonds (distance) P-C4' energy: -47.846
flat angles C4'-P-C4' energy: -48.418
flat angles P-C4'-P energy: -29.956
tors. eta vs tors. theta energy: -30.252
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: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -512.727175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.727175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.727175 (E_RNA)
where:
Base-Base interactions energy: -299.770
where: short stacking energy: -147.580
Base-Backbone interact. energy: 0.165
local terms energy: -213.122202
where:
bonds (distance) C4'-P energy: -43.606
bonds (distance) P-C4' energy: -54.817
flat angles C4'-P-C4' energy: -50.226
flat angles P-C4'-P energy: -30.833
tors. eta vs tors. theta energy: -33.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -353.736361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.736361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.736361 (E_RNA)
where:
Base-Base interactions energy: -179.911
where: short stacking energy: -116.953
Base-Backbone interact. energy: 3.537
local terms energy: -177.361783
where:
bonds (distance) C4'-P energy: -54.434
bonds (distance) P-C4' energy: -39.263
flat angles C4'-P-C4' energy: -40.087
flat angles P-C4'-P energy: -24.837
tors. eta vs tors. theta energy: -18.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1018.187706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.187706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.187706 (E_RNA)
where:
Base-Base interactions energy: -718.670
where: short stacking energy: -308.445
Base-Backbone interact. energy: 0.070
local terms energy: -299.587481
where:
bonds (distance) C4'-P energy: -58.932
bonds (distance) P-C4' energy: -57.187
flat angles C4'-P-C4' energy: -59.638
flat angles P-C4'-P energy: -34.069
tors. eta vs tors. theta energy: -89.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -928.433597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.433597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.433597 (E_RNA)
where:
Base-Base interactions energy: -641.491
where: short stacking energy: -275.411
Base-Backbone interact. energy: -1.807
local terms energy: -285.135348
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -56.359
flat angles C4'-P-C4' energy: -56.336
flat angles P-C4'-P energy: -41.768
tors. eta vs tors. theta energy: -81.845
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: 106
Temperature: 1.000000
Total energy: -908.567750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.567750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.567750 (E_RNA)
where:
Base-Base interactions energy: -613.913
where: short stacking energy: -276.508
Base-Backbone interact. energy: 0.384
local terms energy: -295.038330
where:
bonds (distance) C4'-P energy: -52.328
bonds (distance) P-C4' energy: -63.148
flat angles C4'-P-C4' energy: -52.828
flat angles P-C4'-P energy: -45.606
tors. eta vs tors. theta energy: -81.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -911.113079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.113079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.113079 (E_RNA)
where:
Base-Base interactions energy: -640.975
where: short stacking energy: -258.349
Base-Backbone interact. energy: 2.182
local terms energy: -272.319596
where:
bonds (distance) C4'-P energy: -50.082
bonds (distance) P-C4' energy: -55.199
flat angles C4'-P-C4' energy: -58.355
flat angles P-C4'-P energy: -35.837
tors. eta vs tors. theta energy: -72.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -779.722330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.722330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.722330 (E_RNA)
where:
Base-Base interactions energy: -528.934
where: short stacking energy: -235.080
Base-Backbone interact. energy: -0.425
local terms energy: -250.362543
where:
bonds (distance) C4'-P energy: -43.705
bonds (distance) P-C4' energy: -61.506
flat angles C4'-P-C4' energy: -42.439
flat angles P-C4'-P energy: -33.762
tors. eta vs tors. theta energy: -68.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -639.073140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.073140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.073140 (E_RNA)
where:
Base-Base interactions energy: -401.274
where: short stacking energy: -176.347
Base-Backbone interact. energy: -1.568
local terms energy: -236.231618
where:
bonds (distance) C4'-P energy: -52.977
bonds (distance) P-C4' energy: -45.467
flat angles C4'-P-C4' energy: -52.645
flat angles P-C4'-P energy: -36.533
tors. eta vs tors. theta energy: -48.609
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: 10
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -583.129423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.129423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.129423 (E_RNA)
where:
Base-Base interactions energy: -359.908
where: short stacking energy: -159.304
Base-Backbone interact. energy: -0.602
local terms energy: -222.619539
where:
bonds (distance) C4'-P energy: -53.158
bonds (distance) P-C4' energy: -52.297
flat angles C4'-P-C4' energy: -49.215
flat angles P-C4'-P energy: -31.842
tors. eta vs tors. theta energy: -36.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -519.733059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.733059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.733059 (E_RNA)
where:
Base-Base interactions energy: -315.416
where: short stacking energy: -142.062
Base-Backbone interact. energy: 0.050
local terms energy: -204.366536
where:
bonds (distance) C4'-P energy: -51.447
bonds (distance) P-C4' energy: -43.238
flat angles C4'-P-C4' energy: -49.513
flat angles P-C4'-P energy: -29.615
tors. eta vs tors. theta energy: -30.554
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: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -457.821890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.821890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.821890 (E_RNA)
where:
Base-Base interactions energy: -266.253
where: short stacking energy: -130.826
Base-Backbone interact. energy: -2.105
local terms energy: -189.463973
where:
bonds (distance) C4'-P energy: -48.883
bonds (distance) P-C4' energy: -52.869
flat angles C4'-P-C4' energy: -40.292
flat angles P-C4'-P energy: -28.203
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -384.924081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.924081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.924081 (E_RNA)
where:
Base-Base interactions energy: -213.135
where: short stacking energy: -113.450
Base-Backbone interact. energy: 1.706
local terms energy: -173.495381
where:
bonds (distance) C4'-P energy: -45.050
bonds (distance) P-C4' energy: -54.319
flat angles C4'-P-C4' energy: -46.094
flat angles P-C4'-P energy: -21.298
tors. eta vs tors. theta energy: -6.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1013.957261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.957261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.957261 (E_RNA)
where:
Base-Base interactions energy: -691.175
where: short stacking energy: -289.453
Base-Backbone interact. energy: -0.949
local terms energy: -321.833234
where:
bonds (distance) C4'-P energy: -57.733
bonds (distance) P-C4' energy: -62.178
flat angles C4'-P-C4' energy: -64.701
flat angles P-C4'-P energy: -44.445
tors. eta vs tors. theta energy: -92.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -933.962791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.962791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.962791 (E_RNA)
where:
Base-Base interactions energy: -645.784
where: short stacking energy: -280.841
Base-Backbone interact. energy: -1.946
local terms energy: -286.232823
where:
bonds (distance) C4'-P energy: -50.669
bonds (distance) P-C4' energy: -48.740
flat angles C4'-P-C4' energy: -55.821
flat angles P-C4'-P energy: -47.179
tors. eta vs tors. theta energy: -83.824
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: 8
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -894.172511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.172511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.172511 (E_RNA)
where:
Base-Base interactions energy: -603.307
where: short stacking energy: -274.238
Base-Backbone interact. energy: 0.356
local terms energy: -291.221544
where:
bonds (distance) C4'-P energy: -52.489
bonds (distance) P-C4' energy: -53.692
flat angles C4'-P-C4' energy: -66.860
flat angles P-C4'-P energy: -38.996
tors. eta vs tors. theta energy: -79.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -889.955429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.955429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.955429 (E_RNA)
where:
Base-Base interactions energy: -614.874
where: short stacking energy: -238.940
Base-Backbone interact. energy: -1.554
local terms energy: -273.527338
where:
bonds (distance) C4'-P energy: -56.548
bonds (distance) P-C4' energy: -54.966
flat angles C4'-P-C4' energy: -56.393
flat angles P-C4'-P energy: -35.691
tors. eta vs tors. theta energy: -69.929
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: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -784.071993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.071993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.071993 (E_RNA)
where:
Base-Base interactions energy: -551.275
where: short stacking energy: -233.415
Base-Backbone interact. energy: -0.461
local terms energy: -232.336000
where:
bonds (distance) C4'-P energy: -45.322
bonds (distance) P-C4' energy: -43.142
flat angles C4'-P-C4' energy: -48.184
flat angles P-C4'-P energy: -38.715
tors. eta vs tors. theta energy: -56.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -640.225922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -640.225922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -640.225922 (E_RNA)
where:
Base-Base interactions energy: -420.648
where: short stacking energy: -175.775
Base-Backbone interact. energy: -1.060
local terms energy: -218.517587
where:
bonds (distance) C4'-P energy: -35.573
bonds (distance) P-C4' energy: -58.445
flat angles C4'-P-C4' energy: -52.360
flat angles P-C4'-P energy: -37.438
tors. eta vs tors. theta energy: -34.701
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: 10
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -608.088130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.088130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.088130 (E_RNA)
where:
Base-Base interactions energy: -394.354
where: short stacking energy: -180.041
Base-Backbone interact. energy: -0.473
local terms energy: -213.261045
where:
bonds (distance) C4'-P energy: -43.204
bonds (distance) P-C4' energy: -48.460
flat angles C4'-P-C4' energy: -46.236
flat angles P-C4'-P energy: -30.705
tors. eta vs tors. theta energy: -44.656
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: 9
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -489.541125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.541125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.541125 (E_RNA)
where:
Base-Base interactions energy: -294.230
where: short stacking energy: -143.081
Base-Backbone interact. energy: 0.818
local terms energy: -196.129621
where:
bonds (distance) C4'-P energy: -39.630
bonds (distance) P-C4' energy: -55.977
flat angles C4'-P-C4' energy: -45.444
flat angles P-C4'-P energy: -35.482
tors. eta vs tors. theta energy: -19.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -452.656826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.656826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.656826 (E_RNA)
where:
Base-Base interactions energy: -272.118
where: short stacking energy: -124.968
Base-Backbone interact. energy: -1.177
local terms energy: -179.361139
where:
bonds (distance) C4'-P energy: -47.412
bonds (distance) P-C4' energy: -50.459
flat angles C4'-P-C4' energy: -40.841
flat angles P-C4'-P energy: -24.565
tors. eta vs tors. theta energy: -16.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -382.736855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.736855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.736855 (E_RNA)
where:
Base-Base interactions energy: -213.475
where: short stacking energy: -125.743
Base-Backbone interact. energy: -0.010
local terms energy: -169.252139
where:
bonds (distance) C4'-P energy: -51.028
bonds (distance) P-C4' energy: -39.639
flat angles C4'-P-C4' energy: -47.578
flat angles P-C4'-P energy: -24.340
tors. eta vs tors. theta energy: -6.667
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: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1017.172630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.172630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.172630 (E_RNA)
where:
Base-Base interactions energy: -704.572
where: short stacking energy: -296.934
Base-Backbone interact. energy: -0.961
local terms energy: -311.639513
where:
bonds (distance) C4'-P energy: -55.794
bonds (distance) P-C4' energy: -58.052
flat angles C4'-P-C4' energy: -60.329
flat angles P-C4'-P energy: -49.256
tors. eta vs tors. theta energy: -88.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -927.197996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.197996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.197996 (E_RNA)
where:
Base-Base interactions energy: -618.334
where: short stacking energy: -258.690
Base-Backbone interact. energy: -1.436
local terms energy: -307.427598
where:
bonds (distance) C4'-P energy: -53.229
bonds (distance) P-C4' energy: -62.379
flat angles C4'-P-C4' energy: -63.297
flat angles P-C4'-P energy: -46.535
tors. eta vs tors. theta energy: -81.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -897.698622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.698622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.698622 (E_RNA)
where:
Base-Base interactions energy: -605.526
where: short stacking energy: -279.407
Base-Backbone interact. energy: -0.705
local terms energy: -291.467962
where:
bonds (distance) C4'-P energy: -48.188
bonds (distance) P-C4' energy: -51.919
flat angles C4'-P-C4' energy: -66.323
flat angles P-C4'-P energy: -38.495
tors. eta vs tors. theta energy: -86.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -905.274044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.274044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.274044 (E_RNA)
where:
Base-Base interactions energy: -630.530
where: short stacking energy: -243.028
Base-Backbone interact. energy: 1.661
local terms energy: -276.404927
where:
bonds (distance) C4'-P energy: -49.573
bonds (distance) P-C4' energy: -55.189
flat angles C4'-P-C4' energy: -60.901
flat angles P-C4'-P energy: -42.551
tors. eta vs tors. theta energy: -68.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -784.449057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.449057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.449057 (E_RNA)
where:
Base-Base interactions energy: -532.495
where: short stacking energy: -241.528
Base-Backbone interact. energy: -1.758
local terms energy: -250.195550
where:
bonds (distance) C4'-P energy: -52.602
bonds (distance) P-C4' energy: -48.504
flat angles C4'-P-C4' energy: -52.784
flat angles P-C4'-P energy: -33.597
tors. eta vs tors. theta energy: -62.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -659.216597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.216597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.216597 (E_RNA)
where:
Base-Base interactions energy: -447.813
where: short stacking energy: -196.811
Base-Backbone interact. energy: -1.132
local terms energy: -210.271358
where:
bonds (distance) C4'-P energy: -47.679
bonds (distance) P-C4' energy: -46.543
flat angles C4'-P-C4' energy: -48.957
flat angles P-C4'-P energy: -24.737
tors. eta vs tors. theta energy: -42.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -581.261126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.261126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.261126 (E_RNA)
where:
Base-Base interactions energy: -376.070
where: short stacking energy: -167.426
Base-Backbone interact. energy: -0.694
local terms energy: -204.496965
where:
bonds (distance) C4'-P energy: -48.649
bonds (distance) P-C4' energy: -44.124
flat angles C4'-P-C4' energy: -47.482
flat angles P-C4'-P energy: -33.748
tors. eta vs tors. theta energy: -30.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -523.717812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.717812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.717812 (E_RNA)
where:
Base-Base interactions energy: -331.231
where: short stacking energy: -147.597
Base-Backbone interact. energy: -1.725
local terms energy: -190.761808
where:
bonds (distance) C4'-P energy: -43.935
bonds (distance) P-C4' energy: -40.681
flat angles C4'-P-C4' energy: -42.506
flat angles P-C4'-P energy: -30.814
tors. eta vs tors. theta energy: -32.826
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: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -431.253908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.253908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.253908 (E_RNA)
where:
Base-Base interactions energy: -252.743
where: short stacking energy: -113.032
Base-Backbone interact. energy: 0.790
local terms energy: -179.300733
where:
bonds (distance) C4'-P energy: -38.554
bonds (distance) P-C4' energy: -47.180
flat angles C4'-P-C4' energy: -45.362
flat angles P-C4'-P energy: -29.044
tors. eta vs tors. theta energy: -19.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -351.410104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.410104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.410104 (E_RNA)
where:
Base-Base interactions energy: -180.801
where: short stacking energy: -95.973
Base-Backbone interact. energy: 7.159
local terms energy: -177.768393
where:
bonds (distance) C4'-P energy: -43.137
bonds (distance) P-C4' energy: -53.433
flat angles C4'-P-C4' energy: -41.339
flat angles P-C4'-P energy: -35.503
tors. eta vs tors. theta energy: -4.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1020.202059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.202059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.202059 (E_RNA)
where:
Base-Base interactions energy: -724.132
where: short stacking energy: -286.112
Base-Backbone interact. energy: -1.470
local terms energy: -294.599478
where:
bonds (distance) C4'-P energy: -44.903
bonds (distance) P-C4' energy: -53.778
flat angles C4'-P-C4' energy: -60.518
flat angles P-C4'-P energy: -44.996
tors. eta vs tors. theta energy: -90.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -936.351349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.351349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.351349 (E_RNA)
where:
Base-Base interactions energy: -634.638
where: short stacking energy: -279.559
Base-Backbone interact. energy: -0.892
local terms energy: -300.821735
where:
bonds (distance) C4'-P energy: -58.176
bonds (distance) P-C4' energy: -55.385
flat angles C4'-P-C4' energy: -56.988
flat angles P-C4'-P energy: -48.828
tors. eta vs tors. theta energy: -81.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -900.538155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.538155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.538155 (E_RNA)
where:
Base-Base interactions energy: -601.899
where: short stacking energy: -275.347
Base-Backbone interact. energy: -0.035
local terms energy: -298.604583
where:
bonds (distance) C4'-P energy: -54.042
bonds (distance) P-C4' energy: -56.839
flat angles C4'-P-C4' energy: -62.989
flat angles P-C4'-P energy: -42.530
tors. eta vs tors. theta energy: -82.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -913.236620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.236620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.236620 (E_RNA)
where:
Base-Base interactions energy: -627.639
where: short stacking energy: -261.606
Base-Backbone interact. energy: -0.003
local terms energy: -285.595471
where:
bonds (distance) C4'-P energy: -54.731
bonds (distance) P-C4' energy: -56.878
flat angles C4'-P-C4' energy: -65.676
flat angles P-C4'-P energy: -40.011
tors. eta vs tors. theta energy: -68.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -776.158751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.158751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.158751 (E_RNA)
where:
Base-Base interactions energy: -510.135
where: short stacking energy: -237.420
Base-Backbone interact. energy: -0.418
local terms energy: -265.605547
where:
bonds (distance) C4'-P energy: -51.919
bonds (distance) P-C4' energy: -63.260
flat angles C4'-P-C4' energy: -54.502
flat angles P-C4'-P energy: -38.573
tors. eta vs tors. theta energy: -57.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -673.715759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.715759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.715759 (E_RNA)
where:
Base-Base interactions energy: -445.771
where: short stacking energy: -199.999
Base-Backbone interact. energy: -0.088
local terms energy: -227.856410
where:
bonds (distance) C4'-P energy: -48.253
bonds (distance) P-C4' energy: -52.260
flat angles C4'-P-C4' energy: -48.472
flat angles P-C4'-P energy: -36.739
tors. eta vs tors. theta energy: -42.133
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: 10
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -589.125243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.125243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.125243 (E_RNA)
where:
Base-Base interactions energy: -379.366
where: short stacking energy: -163.277
Base-Backbone interact. energy: 1.333
local terms energy: -211.092136
where:
bonds (distance) C4'-P energy: -48.146
bonds (distance) P-C4' energy: -48.522
flat angles C4'-P-C4' energy: -51.683
flat angles P-C4'-P energy: -30.882
tors. eta vs tors. theta energy: -31.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -526.256841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.256841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.256841 (E_RNA)
where:
Base-Base interactions energy: -326.755
where: short stacking energy: -178.402
Base-Backbone interact. energy: -0.409
local terms energy: -199.093305
where:
bonds (distance) C4'-P energy: -41.402
bonds (distance) P-C4' energy: -38.072
flat angles C4'-P-C4' energy: -53.348
flat angles P-C4'-P energy: -23.804
tors. eta vs tors. theta energy: -42.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -443.690625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.690625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.690625 (E_RNA)
where:
Base-Base interactions energy: -258.351
where: short stacking energy: -125.755
Base-Backbone interact. energy: -2.799
local terms energy: -182.540657
where:
bonds (distance) C4'-P energy: -47.504
bonds (distance) P-C4' energy: -52.479
flat angles C4'-P-C4' energy: -45.933
flat angles P-C4'-P energy: -22.333
tors. eta vs tors. theta energy: -14.292
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: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -360.826842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.826842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.826842 (E_RNA)
where:
Base-Base interactions energy: -191.541
where: short stacking energy: -114.270
Base-Backbone interact. energy: -0.886
local terms energy: -168.400793
where:
bonds (distance) C4'-P energy: -40.242
bonds (distance) P-C4' energy: -50.392
flat angles C4'-P-C4' energy: -36.584
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: -15.737
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: 4
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1026.463060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.463060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.463060 (E_RNA)
where:
Base-Base interactions energy: -694.431
where: short stacking energy: -284.524
Base-Backbone interact. energy: -0.450
local terms energy: -331.582268
where:
bonds (distance) C4'-P energy: -65.933
bonds (distance) P-C4' energy: -60.363
flat angles C4'-P-C4' energy: -64.008
flat angles P-C4'-P energy: -47.656
tors. eta vs tors. theta energy: -93.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -909.849355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.849355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.849355 (E_RNA)
where:
Base-Base interactions energy: -624.165
where: short stacking energy: -265.340
Base-Backbone interact. energy: -1.667
local terms energy: -284.017435
where:
bonds (distance) C4'-P energy: -50.559
bonds (distance) P-C4' energy: -48.305
flat angles C4'-P-C4' energy: -66.978
flat angles P-C4'-P energy: -38.322
tors. eta vs tors. theta energy: -79.853
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: 110
Temperature: 1.000000
Total energy: -911.490890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.490890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.490890 (E_RNA)
where:
Base-Base interactions energy: -617.111
where: short stacking energy: -295.470
Base-Backbone interact. energy: -1.266
local terms energy: -293.113546
where:
bonds (distance) C4'-P energy: -50.900
bonds (distance) P-C4' energy: -53.581
flat angles C4'-P-C4' energy: -60.691
flat angles P-C4'-P energy: -41.485
tors. eta vs tors. theta energy: -86.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -878.858970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.858970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.858970 (E_RNA)
where:
Base-Base interactions energy: -610.051
where: short stacking energy: -262.123
Base-Backbone interact. energy: 0.491
local terms energy: -269.299372
where:
bonds (distance) C4'-P energy: -47.556
bonds (distance) P-C4' energy: -53.535
flat angles C4'-P-C4' energy: -57.156
flat angles P-C4'-P energy: -32.434
tors. eta vs tors. theta energy: -78.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -753.355456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.355456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.355456 (E_RNA)
where:
Base-Base interactions energy: -488.520
where: short stacking energy: -197.698
Base-Backbone interact. energy: -1.765
local terms energy: -263.070304
where:
bonds (distance) C4'-P energy: -56.947
bonds (distance) P-C4' energy: -58.628
flat angles C4'-P-C4' energy: -54.882
flat angles P-C4'-P energy: -38.740
tors. eta vs tors. theta energy: -53.873
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: 5
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -674.110489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.110489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.110489 (E_RNA)
where:
Base-Base interactions energy: -426.371
where: short stacking energy: -193.729
Base-Backbone interact. energy: -0.129
local terms energy: -247.609827
where:
bonds (distance) C4'-P energy: -44.474
bonds (distance) P-C4' energy: -52.669
flat angles C4'-P-C4' energy: -60.831
flat angles P-C4'-P energy: -36.831
tors. eta vs tors. theta energy: -52.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -642.926220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.926220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.926220 (E_RNA)
where:
Base-Base interactions energy: -430.404
where: short stacking energy: -174.478
Base-Backbone interact. energy: 0.678
local terms energy: -213.199945
where:
bonds (distance) C4'-P energy: -37.616
bonds (distance) P-C4' energy: -54.581
flat angles C4'-P-C4' energy: -51.552
flat angles P-C4'-P energy: -28.177
tors. eta vs tors. theta energy: -41.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -500.400657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.400657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.400657 (E_RNA)
where:
Base-Base interactions energy: -300.709
where: short stacking energy: -145.578
Base-Backbone interact. energy: -1.593
local terms energy: -198.098723
where:
bonds (distance) C4'-P energy: -43.692
bonds (distance) P-C4' energy: -42.869
flat angles C4'-P-C4' energy: -58.053
flat angles P-C4'-P energy: -37.821
tors. eta vs tors. theta energy: -15.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -415.935475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.935475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.935475 (E_RNA)
where:
Base-Base interactions energy: -222.896
where: short stacking energy: -115.340
Base-Backbone interact. energy: -2.262
local terms energy: -190.777947
where:
bonds (distance) C4'-P energy: -52.798
bonds (distance) P-C4' energy: -46.013
flat angles C4'-P-C4' energy: -48.127
flat angles P-C4'-P energy: -24.638
tors. eta vs tors. theta energy: -19.201
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: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -347.272475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.272475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.272475 (E_RNA)
where:
Base-Base interactions energy: -178.508
where: short stacking energy: -105.295
Base-Backbone interact. energy: -1.365
local terms energy: -167.400210
where:
bonds (distance) C4'-P energy: -44.022
bonds (distance) P-C4' energy: -51.277
flat angles C4'-P-C4' energy: -38.354
flat angles P-C4'-P energy: -29.735
tors. eta vs tors. theta energy: -4.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1026.459949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.459949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.459949 (E_RNA)
where:
Base-Base interactions energy: -717.947
where: short stacking energy: -297.173
Base-Backbone interact. energy: 0.039
local terms energy: -308.552406
where:
bonds (distance) C4'-P energy: -53.469
bonds (distance) P-C4' energy: -58.813
flat angles C4'-P-C4' energy: -64.867
flat angles P-C4'-P energy: -41.655
tors. eta vs tors. theta energy: -89.748
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: 111
Temperature: 0.950000
Total energy: -941.225872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.225872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.225872 (E_RNA)
where:
Base-Base interactions energy: -627.224
where: short stacking energy: -288.282
Base-Backbone interact. energy: -1.022
local terms energy: -312.979803
where:
bonds (distance) C4'-P energy: -52.474
bonds (distance) P-C4' energy: -60.354
flat angles C4'-P-C4' energy: -66.650
flat angles P-C4'-P energy: -49.045
tors. eta vs tors. theta energy: -84.456
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: 111
Temperature: 1.000000
Total energy: -908.763346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.763346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.763346 (E_RNA)
where:
Base-Base interactions energy: -614.458
where: short stacking energy: -265.116
Base-Backbone interact. energy: -0.074
local terms energy: -294.231985
where:
bonds (distance) C4'-P energy: -50.026
bonds (distance) P-C4' energy: -61.215
flat angles C4'-P-C4' energy: -59.757
flat angles P-C4'-P energy: -43.594
tors. eta vs tors. theta energy: -79.641
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: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -888.736564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.736564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.736564 (E_RNA)
where:
Base-Base interactions energy: -616.323
where: short stacking energy: -259.553
Base-Backbone interact. energy: -0.448
local terms energy: -271.965436
where:
bonds (distance) C4'-P energy: -45.884
bonds (distance) P-C4' energy: -48.763
flat angles C4'-P-C4' energy: -54.023
flat angles P-C4'-P energy: -38.343
tors. eta vs tors. theta energy: -84.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -782.360643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.360643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.360643 (E_RNA)
where:
Base-Base interactions energy: -541.170
where: short stacking energy: -245.174
Base-Backbone interact. energy: 0.402
local terms energy: -241.592810
where:
bonds (distance) C4'-P energy: -38.506
bonds (distance) P-C4' energy: -54.695
flat angles C4'-P-C4' energy: -50.943
flat angles P-C4'-P energy: -33.816
tors. eta vs tors. theta energy: -63.633
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: 10
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -641.045748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.045748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.045748 (E_RNA)
where:
Base-Base interactions energy: -406.027
where: short stacking energy: -196.594
Base-Backbone interact. energy: -0.444
local terms energy: -234.574904
where:
bonds (distance) C4'-P energy: -50.090
bonds (distance) P-C4' energy: -47.629
flat angles C4'-P-C4' energy: -58.262
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -41.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -637.546845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.546845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.546845 (E_RNA)
where:
Base-Base interactions energy: -416.679
where: short stacking energy: -183.812
Base-Backbone interact. energy: -0.020
local terms energy: -220.848310
where:
bonds (distance) C4'-P energy: -52.994
bonds (distance) P-C4' energy: -53.778
flat angles C4'-P-C4' energy: -45.635
flat angles P-C4'-P energy: -34.505
tors. eta vs tors. theta energy: -33.936
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: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -514.653467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.653467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.653467 (E_RNA)
where:
Base-Base interactions energy: -315.756
where: short stacking energy: -138.688
Base-Backbone interact. energy: -1.192
local terms energy: -197.705196
where:
bonds (distance) C4'-P energy: -54.661
bonds (distance) P-C4' energy: -45.570
flat angles C4'-P-C4' energy: -41.069
flat angles P-C4'-P energy: -35.221
tors. eta vs tors. theta energy: -21.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -444.381103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.381103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.381103 (E_RNA)
where:
Base-Base interactions energy: -260.361
where: short stacking energy: -161.562
Base-Backbone interact. energy: -0.858
local terms energy: -183.162430
where:
bonds (distance) C4'-P energy: -45.796
bonds (distance) P-C4' energy: -41.024
flat angles C4'-P-C4' energy: -46.279
flat angles P-C4'-P energy: -17.683
tors. eta vs tors. theta energy: -32.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -349.644216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.644216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.644216 (E_RNA)
where:
Base-Base interactions energy: -195.315
where: short stacking energy: -111.784
Base-Backbone interact. energy: -0.373
local terms energy: -153.955666
where:
bonds (distance) C4'-P energy: -38.609
bonds (distance) P-C4' energy: -44.542
flat angles C4'-P-C4' energy: -43.471
flat angles P-C4'-P energy: -24.577
tors. eta vs tors. theta energy: -2.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1016.806316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.806316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.806316 (E_RNA)
where:
Base-Base interactions energy: -711.743
where: short stacking energy: -297.493
Base-Backbone interact. energy: -0.682
local terms energy: -304.381109
where:
bonds (distance) C4'-P energy: -62.376
bonds (distance) P-C4' energy: -50.353
flat angles C4'-P-C4' energy: -61.477
flat angles P-C4'-P energy: -42.297
tors. eta vs tors. theta energy: -87.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -916.803683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.803683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.803683 (E_RNA)
where:
Base-Base interactions energy: -621.171
where: short stacking energy: -273.426
Base-Backbone interact. energy: -0.547
local terms energy: -295.085894
where:
bonds (distance) C4'-P energy: -52.817
bonds (distance) P-C4' energy: -59.038
flat angles C4'-P-C4' energy: -59.688
flat angles P-C4'-P energy: -40.223
tors. eta vs tors. theta energy: -83.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -914.054891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.054891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.054891 (E_RNA)
where:
Base-Base interactions energy: -633.488
where: short stacking energy: -273.485
Base-Backbone interact. energy: -1.999
local terms energy: -278.567931
where:
bonds (distance) C4'-P energy: -50.614
bonds (distance) P-C4' energy: -55.157
flat angles C4'-P-C4' energy: -66.471
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -76.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -896.256084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.256084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.256084 (E_RNA)
where:
Base-Base interactions energy: -616.006
where: short stacking energy: -260.929
Base-Backbone interact. energy: 4.095
local terms energy: -284.344628
where:
bonds (distance) C4'-P energy: -51.227
bonds (distance) P-C4' energy: -52.175
flat angles C4'-P-C4' energy: -62.690
flat angles P-C4'-P energy: -41.348
tors. eta vs tors. theta energy: -76.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -782.526506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.526506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.526506 (E_RNA)
where:
Base-Base interactions energy: -519.085
where: short stacking energy: -235.383
Base-Backbone interact. energy: 0.238
local terms energy: -263.679241
where:
bonds (distance) C4'-P energy: -54.618
bonds (distance) P-C4' energy: -51.194
flat angles C4'-P-C4' energy: -53.435
flat angles P-C4'-P energy: -41.367
tors. eta vs tors. theta energy: -63.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -597.550157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.550157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.550157 (E_RNA)
where:
Base-Base interactions energy: -378.679
where: short stacking energy: -176.405
Base-Backbone interact. energy: -1.652
local terms energy: -217.219514
where:
bonds (distance) C4'-P energy: -58.736
bonds (distance) P-C4' energy: -41.577
flat angles C4'-P-C4' energy: -55.652
flat angles P-C4'-P energy: -22.931
tors. eta vs tors. theta energy: -38.324
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: 5
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -664.317875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.317875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.317875 (E_RNA)
where:
Base-Base interactions energy: -439.757
where: short stacking energy: -186.522
Base-Backbone interact. energy: -0.971
local terms energy: -223.589184
where:
bonds (distance) C4'-P energy: -53.856
bonds (distance) P-C4' energy: -47.928
flat angles C4'-P-C4' energy: -49.054
flat angles P-C4'-P energy: -27.685
tors. eta vs tors. theta energy: -45.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -511.399593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -511.399593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -511.399593 (E_RNA)
where:
Base-Base interactions energy: -293.915
where: short stacking energy: -152.697
Base-Backbone interact. energy: -0.417
local terms energy: -217.068086
where:
bonds (distance) C4'-P energy: -49.581
bonds (distance) P-C4' energy: -51.977
flat angles C4'-P-C4' energy: -46.377
flat angles P-C4'-P energy: -27.740
tors. eta vs tors. theta energy: -41.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -368.982853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.982853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.982853 (E_RNA)
where:
Base-Base interactions energy: -191.158
where: short stacking energy: -93.179
Base-Backbone interact. energy: 0.846
local terms energy: -178.671469
where:
bonds (distance) C4'-P energy: -43.749
bonds (distance) P-C4' energy: -56.409
flat angles C4'-P-C4' energy: -41.583
flat angles P-C4'-P energy: -35.435
tors. eta vs tors. theta energy: -1.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -426.958365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.958365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.958365 (E_RNA)
where:
Base-Base interactions energy: -232.477
where: short stacking energy: -124.450
Base-Backbone interact. energy: -0.497
local terms energy: -193.984346
where:
bonds (distance) C4'-P energy: -44.976
bonds (distance) P-C4' energy: -54.184
flat angles C4'-P-C4' energy: -48.743
flat angles P-C4'-P energy: -29.040
tors. eta vs tors. theta energy: -17.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1032.484486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.484486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.484486 (E_RNA)
where:
Base-Base interactions energy: -727.847
where: short stacking energy: -301.685
Base-Backbone interact. energy: -0.365
local terms energy: -304.273080
where:
bonds (distance) C4'-P energy: -57.723
bonds (distance) P-C4' energy: -54.152
flat angles C4'-P-C4' energy: -58.862
flat angles P-C4'-P energy: -39.469
tors. eta vs tors. theta energy: -94.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -921.429174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.429174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.429174 (E_RNA)
where:
Base-Base interactions energy: -615.134
where: short stacking energy: -283.159
Base-Backbone interact. energy: -2.565
local terms energy: -303.730349
where:
bonds (distance) C4'-P energy: -57.241
bonds (distance) P-C4' energy: -53.865
flat angles C4'-P-C4' energy: -67.294
flat angles P-C4'-P energy: -40.630
tors. eta vs tors. theta energy: -84.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -936.516174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.516174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.516174 (E_RNA)
where:
Base-Base interactions energy: -656.854
where: short stacking energy: -285.584
Base-Backbone interact. energy: -0.345
local terms energy: -279.316827
where:
bonds (distance) C4'-P energy: -46.527
bonds (distance) P-C4' energy: -52.739
flat angles C4'-P-C4' energy: -63.433
flat angles P-C4'-P energy: -35.256
tors. eta vs tors. theta energy: -81.362
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: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -876.042060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.042060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.042060 (E_RNA)
where:
Base-Base interactions energy: -597.453
where: short stacking energy: -233.073
Base-Backbone interact. energy: 1.346
local terms energy: -279.934685
where:
bonds (distance) C4'-P energy: -55.246
bonds (distance) P-C4' energy: -53.018
flat angles C4'-P-C4' energy: -61.544
flat angles P-C4'-P energy: -40.838
tors. eta vs tors. theta energy: -69.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -734.121180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.121180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.121180 (E_RNA)
where:
Base-Base interactions energy: -499.240
where: short stacking energy: -211.768
Base-Backbone interact. energy: -0.788
local terms energy: -234.093211
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -45.220
flat angles C4'-P-C4' energy: -53.263
flat angles P-C4'-P energy: -29.289
tors. eta vs tors. theta energy: -51.543
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: 113
Temperature: 1.150000
Total energy: -658.352207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.352207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.352207 (E_RNA)
where:
Base-Base interactions energy: -434.821
where: short stacking energy: -187.847
Base-Backbone interact. energy: -0.957
local terms energy: -222.575044
where:
bonds (distance) C4'-P energy: -44.974
bonds (distance) P-C4' energy: -50.547
flat angles C4'-P-C4' energy: -51.640
flat angles P-C4'-P energy: -28.213
tors. eta vs tors. theta energy: -47.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -582.964530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.964530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.964530 (E_RNA)
where:
Base-Base interactions energy: -353.965
where: short stacking energy: -160.668
Base-Backbone interact. energy: -1.053
local terms energy: -227.946283
where:
bonds (distance) C4'-P energy: -49.634
bonds (distance) P-C4' energy: -52.620
flat angles C4'-P-C4' energy: -54.585
flat angles P-C4'-P energy: -33.454
tors. eta vs tors. theta energy: -37.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -506.190934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.190934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.190934 (E_RNA)
where:
Base-Base interactions energy: -310.252
where: short stacking energy: -159.567
Base-Backbone interact. energy: -0.251
local terms energy: -195.688002
where:
bonds (distance) C4'-P energy: -39.029
bonds (distance) P-C4' energy: -51.879
flat angles C4'-P-C4' energy: -54.073
flat angles P-C4'-P energy: -17.167
tors. eta vs tors. theta energy: -33.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -399.088668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.088668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.088668 (E_RNA)
where:
Base-Base interactions energy: -214.138
where: short stacking energy: -131.480
Base-Backbone interact. energy: -0.961
local terms energy: -183.989495
where:
bonds (distance) C4'-P energy: -55.284
bonds (distance) P-C4' energy: -48.940
flat angles C4'-P-C4' energy: -36.382
flat angles P-C4'-P energy: -28.623
tors. eta vs tors. theta energy: -14.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -399.582894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.582894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.582894 (E_RNA)
where:
Base-Base interactions energy: -217.158
where: short stacking energy: -128.081
Base-Backbone interact. energy: -0.564
local terms energy: -181.861170
where:
bonds (distance) C4'-P energy: -53.783
bonds (distance) P-C4' energy: -48.573
flat angles C4'-P-C4' energy: -42.253
flat angles P-C4'-P energy: -28.324
tors. eta vs tors. theta energy: -8.929
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: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1041.559336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.559336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.559336 (E_RNA)
where:
Base-Base interactions energy: -721.439
where: short stacking energy: -304.153
Base-Backbone interact. energy: -0.684
local terms energy: -319.436481
where:
bonds (distance) C4'-P energy: -50.316
bonds (distance) P-C4' energy: -57.798
flat angles C4'-P-C4' energy: -69.901
flat angles P-C4'-P energy: -47.460
tors. eta vs tors. theta energy: -93.961
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: 8
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -933.207718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.207718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.207718 (E_RNA)
where:
Base-Base interactions energy: -637.563
where: short stacking energy: -295.125
Base-Backbone interact. energy: 1.153
local terms energy: -296.797537
where:
bonds (distance) C4'-P energy: -57.048
bonds (distance) P-C4' energy: -51.371
flat angles C4'-P-C4' energy: -65.818
flat angles P-C4'-P energy: -40.640
tors. eta vs tors. theta energy: -81.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -920.836665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.836665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.836665 (E_RNA)
where:
Base-Base interactions energy: -640.021
where: short stacking energy: -256.916
Base-Backbone interact. energy: -1.164
local terms energy: -279.651476
where:
bonds (distance) C4'-P energy: -45.724
bonds (distance) P-C4' energy: -51.345
flat angles C4'-P-C4' energy: -68.757
flat angles P-C4'-P energy: -36.507
tors. eta vs tors. theta energy: -77.318
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: 4, replica: 2
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -880.558091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.558091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.558091 (E_RNA)
where:
Base-Base interactions energy: -615.384
where: short stacking energy: -256.709
Base-Backbone interact. energy: -1.011
local terms energy: -264.163079
where:
bonds (distance) C4'-P energy: -50.707
bonds (distance) P-C4' energy: -45.929
flat angles C4'-P-C4' energy: -60.478
flat angles P-C4'-P energy: -38.735
tors. eta vs tors. theta energy: -68.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -771.604991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.604991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.604991 (E_RNA)
where:
Base-Base interactions energy: -511.621
where: short stacking energy: -224.828
Base-Backbone interact. energy: -1.325
local terms energy: -258.659073
where:
bonds (distance) C4'-P energy: -54.203
bonds (distance) P-C4' energy: -46.070
flat angles C4'-P-C4' energy: -62.473
flat angles P-C4'-P energy: -35.839
tors. eta vs tors. theta energy: -60.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -746.167672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.167672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.167672 (E_RNA)
where:
Base-Base interactions energy: -498.946
where: short stacking energy: -214.109
Base-Backbone interact. energy: -1.092
local terms energy: -246.129450
where:
bonds (distance) C4'-P energy: -44.842
bonds (distance) P-C4' energy: -47.710
flat angles C4'-P-C4' energy: -58.146
flat angles P-C4'-P energy: -35.921
tors. eta vs tors. theta energy: -59.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -595.837749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.837749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.837749 (E_RNA)
where:
Base-Base interactions energy: -384.954
where: short stacking energy: -187.687
Base-Backbone interact. energy: -0.544
local terms energy: -210.340109
where:
bonds (distance) C4'-P energy: -45.272
bonds (distance) P-C4' energy: -45.178
flat angles C4'-P-C4' energy: -46.637
flat angles P-C4'-P energy: -30.537
tors. eta vs tors. theta energy: -42.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -481.330063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.330063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.330063 (E_RNA)
where:
Base-Base interactions energy: -285.525
where: short stacking energy: -135.837
Base-Backbone interact. energy: -0.704
local terms energy: -195.100619
where:
bonds (distance) C4'-P energy: -40.385
bonds (distance) P-C4' energy: -47.703
flat angles C4'-P-C4' energy: -46.693
flat angles P-C4'-P energy: -35.506
tors. eta vs tors. theta energy: -24.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -365.970250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.970250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.970250 (E_RNA)
where:
Base-Base interactions energy: -206.374
where: short stacking energy: -120.291
Base-Backbone interact. energy: -0.828
local terms energy: -158.767810
where:
bonds (distance) C4'-P energy: -41.112
bonds (distance) P-C4' energy: -33.717
flat angles C4'-P-C4' energy: -40.917
flat angles P-C4'-P energy: -29.343
tors. eta vs tors. theta energy: -13.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -348.598102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.598102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.598102 (E_RNA)
where:
Base-Base interactions energy: -188.149
where: short stacking energy: -92.928
Base-Backbone interact. energy: -1.163
local terms energy: -159.285820
where:
bonds (distance) C4'-P energy: -48.282
bonds (distance) P-C4' energy: -50.608
flat angles C4'-P-C4' energy: -46.169
flat angles P-C4'-P energy: -16.570
tors. eta vs tors. theta energy: 2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1042.758702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.758702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.758702 (E_RNA)
where:
Base-Base interactions energy: -720.415
where: short stacking energy: -307.770
Base-Backbone interact. energy: -1.466
local terms energy: -320.878020
where:
bonds (distance) C4'-P energy: -56.259
bonds (distance) P-C4' energy: -64.223
flat angles C4'-P-C4' energy: -60.987
flat angles P-C4'-P energy: -47.986
tors. eta vs tors. theta energy: -91.424
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: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -944.748433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.748433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.748433 (E_RNA)
where:
Base-Base interactions energy: -646.974
where: short stacking energy: -274.108
Base-Backbone interact. energy: -0.778
local terms energy: -296.996769
where:
bonds (distance) C4'-P energy: -50.661
bonds (distance) P-C4' energy: -56.590
flat angles C4'-P-C4' energy: -58.919
flat angles P-C4'-P energy: -43.542
tors. eta vs tors. theta energy: -87.285
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: 8
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -902.713188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.713188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.713188 (E_RNA)
where:
Base-Base interactions energy: -600.021
where: short stacking energy: -261.038
Base-Backbone interact. energy: -1.606
local terms energy: -301.085972
where:
bonds (distance) C4'-P energy: -60.930
bonds (distance) P-C4' energy: -52.997
flat angles C4'-P-C4' energy: -64.740
flat angles P-C4'-P energy: -44.314
tors. eta vs tors. theta energy: -78.104
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: 2
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -881.918424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.918424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.918424 (E_RNA)
where:
Base-Base interactions energy: -601.656
where: short stacking energy: -263.715
Base-Backbone interact. energy: -1.454
local terms energy: -278.808308
where:
bonds (distance) C4'-P energy: -60.707
bonds (distance) P-C4' energy: -43.099
flat angles C4'-P-C4' energy: -60.982
flat angles P-C4'-P energy: -35.729
tors. eta vs tors. theta energy: -78.292
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: 3
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -787.669461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.669461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.669461 (E_RNA)
where:
Base-Base interactions energy: -524.721
where: short stacking energy: -217.552
Base-Backbone interact. energy: -2.693
local terms energy: -260.254553
where:
bonds (distance) C4'-P energy: -52.902
bonds (distance) P-C4' energy: -62.120
flat angles C4'-P-C4' energy: -52.287
flat angles P-C4'-P energy: -34.351
tors. eta vs tors. theta energy: -58.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -747.432001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.432001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.432001 (E_RNA)
where:
Base-Base interactions energy: -513.950
where: short stacking energy: -222.928
Base-Backbone interact. energy: -1.847
local terms energy: -231.635358
where:
bonds (distance) C4'-P energy: -48.753
bonds (distance) P-C4' energy: -46.693
flat angles C4'-P-C4' energy: -57.519
flat angles P-C4'-P energy: -24.514
tors. eta vs tors. theta energy: -54.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -594.386444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.386444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.386444 (E_RNA)
where:
Base-Base interactions energy: -366.215
where: short stacking energy: -174.066
Base-Backbone interact. energy: -0.296
local terms energy: -227.875974
where:
bonds (distance) C4'-P energy: -42.777
bonds (distance) P-C4' energy: -47.913
flat angles C4'-P-C4' energy: -61.139
flat angles P-C4'-P energy: -34.243
tors. eta vs tors. theta energy: -41.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -509.423584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.423584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.423584 (E_RNA)
where:
Base-Base interactions energy: -306.387
where: short stacking energy: -138.926
Base-Backbone interact. energy: -1.048
local terms energy: -201.988341
where:
bonds (distance) C4'-P energy: -47.158
bonds (distance) P-C4' energy: -54.318
flat angles C4'-P-C4' energy: -51.321
flat angles P-C4'-P energy: -28.956
tors. eta vs tors. theta energy: -20.235
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: 1
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -366.199134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.199134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.199134 (E_RNA)
where:
Base-Base interactions energy: -201.830
where: short stacking energy: -105.438
Base-Backbone interact. energy: -1.085
local terms energy: -163.283850
where:
bonds (distance) C4'-P energy: -49.822
bonds (distance) P-C4' energy: -44.438
flat angles C4'-P-C4' energy: -39.177
flat angles P-C4'-P energy: -25.952
tors. eta vs tors. theta energy: -3.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -323.695709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.695709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.695709 (E_RNA)
where:
Base-Base interactions energy: -162.890
where: short stacking energy: -101.265
Base-Backbone interact. energy: 0.303
local terms energy: -161.108568
where:
bonds (distance) C4'-P energy: -38.512
bonds (distance) P-C4' energy: -45.552
flat angles C4'-P-C4' energy: -34.943
flat angles P-C4'-P energy: -29.877
tors. eta vs tors. theta energy: -12.224
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: 4
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1038.856359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.856359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.856359 (E_RNA)
where:
Base-Base interactions energy: -717.445
where: short stacking energy: -305.974
Base-Backbone interact. energy: -2.086
local terms energy: -319.324996
where:
bonds (distance) C4'-P energy: -63.238
bonds (distance) P-C4' energy: -51.078
flat angles C4'-P-C4' energy: -68.861
flat angles P-C4'-P energy: -45.284
tors. eta vs tors. theta energy: -90.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -936.706217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.706217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.706217 (E_RNA)
where:
Base-Base interactions energy: -638.410
where: short stacking energy: -270.480
Base-Backbone interact. energy: -2.210
local terms energy: -296.085334
where:
bonds (distance) C4'-P energy: -53.806
bonds (distance) P-C4' energy: -55.243
flat angles C4'-P-C4' energy: -62.094
flat angles P-C4'-P energy: -40.444
tors. eta vs tors. theta energy: -84.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -895.618246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.618246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.618246 (E_RNA)
where:
Base-Base interactions energy: -601.891
where: short stacking energy: -271.109
Base-Backbone interact. energy: -0.354
local terms energy: -293.373208
where:
bonds (distance) C4'-P energy: -53.501
bonds (distance) P-C4' energy: -59.028
flat angles C4'-P-C4' energy: -61.294
flat angles P-C4'-P energy: -32.355
tors. eta vs tors. theta energy: -87.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -888.433462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.433462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.433462 (E_RNA)
where:
Base-Base interactions energy: -594.447
where: short stacking energy: -284.052
Base-Backbone interact. energy: -0.099
local terms energy: -293.887112
where:
bonds (distance) C4'-P energy: -55.374
bonds (distance) P-C4' energy: -48.651
flat angles C4'-P-C4' energy: -64.798
flat angles P-C4'-P energy: -40.518
tors. eta vs tors. theta energy: -84.546
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: 5, replica: 5
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -792.984767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.984767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.984767 (E_RNA)
where:
Base-Base interactions energy: -550.886
where: short stacking energy: -235.759
Base-Backbone interact. energy: 3.254
local terms energy: -245.352389
where:
bonds (distance) C4'-P energy: -53.796
bonds (distance) P-C4' energy: -49.025
flat angles C4'-P-C4' energy: -49.856
flat angles P-C4'-P energy: -30.946
tors. eta vs tors. theta energy: -61.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -770.972560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.972560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.972560 (E_RNA)
where:
Base-Base interactions energy: -528.274
where: short stacking energy: -221.171
Base-Backbone interact. energy: -0.997
local terms energy: -241.701900
where:
bonds (distance) C4'-P energy: -48.604
bonds (distance) P-C4' energy: -55.681
flat angles C4'-P-C4' energy: -54.379
flat angles P-C4'-P energy: -28.256
tors. eta vs tors. theta energy: -54.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -598.483204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.483204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.483204 (E_RNA)
where:
Base-Base interactions energy: -383.243
where: short stacking energy: -185.039
Base-Backbone interact. energy: -2.468
local terms energy: -212.772733
where:
bonds (distance) C4'-P energy: -47.390
bonds (distance) P-C4' energy: -55.471
flat angles C4'-P-C4' energy: -42.728
flat angles P-C4'-P energy: -29.636
tors. eta vs tors. theta energy: -37.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -504.288009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.288009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.288009 (E_RNA)
where:
Base-Base interactions energy: -290.530
where: short stacking energy: -135.232
Base-Backbone interact. energy: -0.740
local terms energy: -213.018386
where:
bonds (distance) C4'-P energy: -45.052
bonds (distance) P-C4' energy: -58.181
flat angles C4'-P-C4' energy: -56.663
flat angles P-C4'-P energy: -28.516
tors. eta vs tors. theta energy: -24.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -370.101408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.101408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.101408 (E_RNA)
where:
Base-Base interactions energy: -195.427
where: short stacking energy: -98.057
Base-Backbone interact. energy: -0.731
local terms energy: -173.942677
where:
bonds (distance) C4'-P energy: -47.211
bonds (distance) P-C4' energy: -44.657
flat angles C4'-P-C4' energy: -44.649
flat angles P-C4'-P energy: -29.632
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -334.066153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.066153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.066153 (E_RNA)
where:
Base-Base interactions energy: -163.501
where: short stacking energy: -84.593
Base-Backbone interact. energy: 0.520
local terms energy: -171.085321
where:
bonds (distance) C4'-P energy: -47.534
bonds (distance) P-C4' energy: -45.071
flat angles C4'-P-C4' energy: -60.202
flat angles P-C4'-P energy: -18.301
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1018.154799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.154799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.154799 (E_RNA)
where:
Base-Base interactions energy: -711.803
where: short stacking energy: -296.658
Base-Backbone interact. energy: -3.276
local terms energy: -303.075863
where:
bonds (distance) C4'-P energy: -52.618
bonds (distance) P-C4' energy: -54.584
flat angles C4'-P-C4' energy: -63.337
flat angles P-C4'-P energy: -45.163
tors. eta vs tors. theta energy: -87.374
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: 7
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -979.395214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.395214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.395214 (E_RNA)
where:
Base-Base interactions energy: -667.724
where: short stacking energy: -276.231
Base-Backbone interact. energy: -1.628
local terms energy: -310.042696
where:
bonds (distance) C4'-P energy: -61.885
bonds (distance) P-C4' energy: -57.717
flat angles C4'-P-C4' energy: -59.891
flat angles P-C4'-P energy: -46.861
tors. eta vs tors. theta energy: -83.690
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: 117
Temperature: 1.000000
Total energy: -899.075615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.075615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.075615 (E_RNA)
where:
Base-Base interactions energy: -607.430
where: short stacking energy: -267.840
Base-Backbone interact. energy: 0.328
local terms energy: -291.973604
where:
bonds (distance) C4'-P energy: -44.891
bonds (distance) P-C4' energy: -53.430
flat angles C4'-P-C4' energy: -68.557
flat angles P-C4'-P energy: -40.238
tors. eta vs tors. theta energy: -84.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -879.131501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.131501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.131501 (E_RNA)
where:
Base-Base interactions energy: -596.642
where: short stacking energy: -262.403
Base-Backbone interact. energy: -1.559
local terms energy: -280.930420
where:
bonds (distance) C4'-P energy: -56.480
bonds (distance) P-C4' energy: -50.974
flat angles C4'-P-C4' energy: -56.645
flat angles P-C4'-P energy: -42.754
tors. eta vs tors. theta energy: -74.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -803.918994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.918994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.918994 (E_RNA)
where:
Base-Base interactions energy: -536.350
where: short stacking energy: -227.361
Base-Backbone interact. energy: -0.142
local terms energy: -267.427475
where:
bonds (distance) C4'-P energy: -57.971
bonds (distance) P-C4' energy: -60.661
flat angles C4'-P-C4' energy: -51.296
flat angles P-C4'-P energy: -31.625
tors. eta vs tors. theta energy: -65.874
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: 117
Temperature: 1.150000
Total energy: -736.321240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.321240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.321240 (E_RNA)
where:
Base-Base interactions energy: -485.657
where: short stacking energy: -216.135
Base-Backbone interact. energy: 0.542
local terms energy: -251.206659
where:
bonds (distance) C4'-P energy: -54.104
bonds (distance) P-C4' energy: -54.157
flat angles C4'-P-C4' energy: -53.130
flat angles P-C4'-P energy: -39.009
tors. eta vs tors. theta energy: -50.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -645.519149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.519149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.519149 (E_RNA)
where:
Base-Base interactions energy: -432.981
where: short stacking energy: -180.949
Base-Backbone interact. energy: -0.763
local terms energy: -211.774538
where:
bonds (distance) C4'-P energy: -43.088
bonds (distance) P-C4' energy: -54.848
flat angles C4'-P-C4' energy: -48.366
flat angles P-C4'-P energy: -22.339
tors. eta vs tors. theta energy: -43.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -453.206197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.206197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.206197 (E_RNA)
where:
Base-Base interactions energy: -248.300
where: short stacking energy: -123.092
Base-Backbone interact. energy: -1.533
local terms energy: -203.372708
where:
bonds (distance) C4'-P energy: -53.827
bonds (distance) P-C4' energy: -53.375
flat angles C4'-P-C4' energy: -42.517
flat angles P-C4'-P energy: -26.835
tors. eta vs tors. theta energy: -26.819
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: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -322.994224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -322.994224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -322.994224 (E_RNA)
where:
Base-Base interactions energy: -160.798
where: short stacking energy: -90.255
Base-Backbone interact. energy: 1.042
local terms energy: -163.238085
where:
bonds (distance) C4'-P energy: -47.479
bonds (distance) P-C4' energy: -52.887
flat angles C4'-P-C4' energy: -41.851
flat angles P-C4'-P energy: -18.507
tors. eta vs tors. theta energy: -2.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -314.067474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -314.067474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -314.067474 (E_RNA)
where:
Base-Base interactions energy: -148.837
where: short stacking energy: -101.374
Base-Backbone interact. energy: 4.304
local terms energy: -169.535008
where:
bonds (distance) C4'-P energy: -52.718
bonds (distance) P-C4' energy: -48.794
flat angles C4'-P-C4' energy: -41.570
flat angles P-C4'-P energy: -23.970
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1002.127611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.127611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.127611 (E_RNA)
where:
Base-Base interactions energy: -682.296
where: short stacking energy: -291.383
Base-Backbone interact. energy: -1.084
local terms energy: -318.747882
where:
bonds (distance) C4'-P energy: -61.237
bonds (distance) P-C4' energy: -54.894
flat angles C4'-P-C4' energy: -58.876
flat angles P-C4'-P energy: -48.658
tors. eta vs tors. theta energy: -95.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1011.858558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.858558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.858558 (E_RNA)
where:
Base-Base interactions energy: -698.207
where: short stacking energy: -293.259
Base-Backbone interact. energy: 0.347
local terms energy: -313.998837
where:
bonds (distance) C4'-P energy: -56.814
bonds (distance) P-C4' energy: -61.431
flat angles C4'-P-C4' energy: -68.452
flat angles P-C4'-P energy: -41.594
tors. eta vs tors. theta energy: -85.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -944.078038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.078038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.078038 (E_RNA)
where:
Base-Base interactions energy: -639.565
where: short stacking energy: -279.479
Base-Backbone interact. energy: -0.535
local terms energy: -303.977612
where:
bonds (distance) C4'-P energy: -51.837
bonds (distance) P-C4' energy: -64.632
flat angles C4'-P-C4' energy: -61.472
flat angles P-C4'-P energy: -41.531
tors. eta vs tors. theta energy: -84.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -870.863352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.863352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.863352 (E_RNA)
where:
Base-Base interactions energy: -601.040
where: short stacking energy: -286.368
Base-Backbone interact. energy: -0.517
local terms energy: -269.306380
where:
bonds (distance) C4'-P energy: -44.329
bonds (distance) P-C4' energy: -47.358
flat angles C4'-P-C4' energy: -56.270
flat angles P-C4'-P energy: -34.468
tors. eta vs tors. theta energy: -86.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -784.279312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.279312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.279312 (E_RNA)
where:
Base-Base interactions energy: -521.878
where: short stacking energy: -229.180
Base-Backbone interact. energy: 0.690
local terms energy: -263.090982
where:
bonds (distance) C4'-P energy: -45.170
bonds (distance) P-C4' energy: -49.966
flat angles C4'-P-C4' energy: -55.268
flat angles P-C4'-P energy: -48.271
tors. eta vs tors. theta energy: -64.417
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: 5
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -777.410508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.410508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.410508 (E_RNA)
where:
Base-Base interactions energy: -514.688
where: short stacking energy: -214.290
Base-Backbone interact. energy: -1.359
local terms energy: -261.363819
where:
bonds (distance) C4'-P energy: -57.126
bonds (distance) P-C4' energy: -59.286
flat angles C4'-P-C4' energy: -51.184
flat angles P-C4'-P energy: -37.029
tors. eta vs tors. theta energy: -56.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -636.132566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.132566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.132566 (E_RNA)
where:
Base-Base interactions energy: -415.494
where: short stacking energy: -180.143
Base-Backbone interact. energy: -1.526
local terms energy: -219.113049
where:
bonds (distance) C4'-P energy: -52.025
bonds (distance) P-C4' energy: -53.263
flat angles C4'-P-C4' energy: -42.094
flat angles P-C4'-P energy: -34.256
tors. eta vs tors. theta energy: -37.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -516.733712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.733712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.733712 (E_RNA)
where:
Base-Base interactions energy: -313.037
where: short stacking energy: -150.124
Base-Backbone interact. energy: -0.437
local terms energy: -203.259611
where:
bonds (distance) C4'-P energy: -39.751
bonds (distance) P-C4' energy: -50.748
flat angles C4'-P-C4' energy: -49.016
flat angles P-C4'-P energy: -26.184
tors. eta vs tors. theta energy: -37.560
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: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -344.979892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.979892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.979892 (E_RNA)
where:
Base-Base interactions energy: -169.256
where: short stacking energy: -84.603
Base-Backbone interact. energy: -0.181
local terms energy: -175.542489
where:
bonds (distance) C4'-P energy: -49.681
bonds (distance) P-C4' energy: -53.005
flat angles C4'-P-C4' energy: -51.771
flat angles P-C4'-P energy: -20.911
tors. eta vs tors. theta energy: -0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -334.849844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.849844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.849844 (E_RNA)
where:
Base-Base interactions energy: -162.892
where: short stacking energy: -90.994
Base-Backbone interact. energy: 4.904
local terms energy: -176.861477
where:
bonds (distance) C4'-P energy: -52.643
bonds (distance) P-C4' energy: -48.681
flat angles C4'-P-C4' energy: -43.152
flat angles P-C4'-P energy: -29.658
tors. eta vs tors. theta energy: -2.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -993.821664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.821664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.821664 (E_RNA)
where:
Base-Base interactions energy: -693.136
where: short stacking energy: -296.305
Base-Backbone interact. energy: 0.668
local terms energy: -301.353972
where:
bonds (distance) C4'-P energy: -55.789
bonds (distance) P-C4' energy: -61.255
flat angles C4'-P-C4' energy: -56.511
flat angles P-C4'-P energy: -45.189
tors. eta vs tors. theta energy: -82.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1001.005441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.005441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.005441 (E_RNA)
where:
Base-Base interactions energy: -695.344
where: short stacking energy: -296.021
Base-Backbone interact. energy: -0.562
local terms energy: -305.099828
where:
bonds (distance) C4'-P energy: -49.415
bonds (distance) P-C4' energy: -56.410
flat angles C4'-P-C4' energy: -65.701
flat angles P-C4'-P energy: -48.438
tors. eta vs tors. theta energy: -85.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -919.314879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.314879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.314879 (E_RNA)
where:
Base-Base interactions energy: -617.416
where: short stacking energy: -274.477
Base-Backbone interact. energy: -2.664
local terms energy: -299.234976
where:
bonds (distance) C4'-P energy: -57.770
bonds (distance) P-C4' energy: -59.353
flat angles C4'-P-C4' energy: -62.854
flat angles P-C4'-P energy: -38.976
tors. eta vs tors. theta energy: -80.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -852.274136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.274136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.274136 (E_RNA)
where:
Base-Base interactions energy: -591.802
where: short stacking energy: -272.764
Base-Backbone interact. energy: 1.264
local terms energy: -261.736875
where:
bonds (distance) C4'-P energy: -49.040
bonds (distance) P-C4' energy: -41.057
flat angles C4'-P-C4' energy: -54.750
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -79.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -797.518060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.518060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.518060 (E_RNA)
where:
Base-Base interactions energy: -518.132
where: short stacking energy: -233.027
Base-Backbone interact. energy: -2.110
local terms energy: -277.275301
where:
bonds (distance) C4'-P energy: -49.534
bonds (distance) P-C4' energy: -60.182
flat angles C4'-P-C4' energy: -62.076
flat angles P-C4'-P energy: -42.443
tors. eta vs tors. theta energy: -63.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -768.846763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.846763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.846763 (E_RNA)
where:
Base-Base interactions energy: -516.483
where: short stacking energy: -228.298
Base-Backbone interact. energy: -1.146
local terms energy: -251.217565
where:
bonds (distance) C4'-P energy: -49.623
bonds (distance) P-C4' energy: -50.445
flat angles C4'-P-C4' energy: -47.418
flat angles P-C4'-P energy: -39.653
tors. eta vs tors. theta energy: -64.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -608.431890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.431890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.431890 (E_RNA)
where:
Base-Base interactions energy: -353.926
where: short stacking energy: -175.358
Base-Backbone interact. energy: -0.553
local terms energy: -253.952977
where:
bonds (distance) C4'-P energy: -50.539
bonds (distance) P-C4' energy: -49.768
flat angles C4'-P-C4' energy: -60.731
flat angles P-C4'-P energy: -43.722
tors. eta vs tors. theta energy: -49.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -490.799131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.799131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.799131 (E_RNA)
where:
Base-Base interactions energy: -282.727
where: short stacking energy: -135.430
Base-Backbone interact. energy: -0.623
local terms energy: -207.448982
where:
bonds (distance) C4'-P energy: -57.627
bonds (distance) P-C4' energy: -62.327
flat angles C4'-P-C4' energy: -46.883
flat angles P-C4'-P energy: -26.372
tors. eta vs tors. theta energy: -14.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -352.160496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.160496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.160496 (E_RNA)
where:
Base-Base interactions energy: -188.854
where: short stacking energy: -103.919
Base-Backbone interact. energy: 0.267
local terms energy: -163.573649
where:
bonds (distance) C4'-P energy: -31.945
bonds (distance) P-C4' energy: -58.513
flat angles C4'-P-C4' energy: -34.288
flat angles P-C4'-P energy: -27.041
tors. eta vs tors. theta energy: -11.787
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: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -297.776058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.776058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.776058 (E_RNA)
where:
Base-Base interactions energy: -143.276
where: short stacking energy: -93.569
Base-Backbone interact. energy: -1.311
local terms energy: -153.188523
where:
bonds (distance) C4'-P energy: -51.970
bonds (distance) P-C4' energy: -46.784
flat angles C4'-P-C4' energy: -36.073
flat angles P-C4'-P energy: -25.338
tors. eta vs tors. theta energy: 6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1017.315010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.315010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.315010 (E_RNA)
where:
Base-Base interactions energy: -706.900
where: short stacking energy: -286.204
Base-Backbone interact. energy: -0.667
local terms energy: -309.747566
where:
bonds (distance) C4'-P energy: -56.921
bonds (distance) P-C4' energy: -58.153
flat angles C4'-P-C4' energy: -62.882
flat angles P-C4'-P energy: -43.167
tors. eta vs tors. theta energy: -88.626
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: 120
Temperature: 0.950000
Total energy: -1001.233089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.233089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.233089 (E_RNA)
where:
Base-Base interactions energy: -691.911
where: short stacking energy: -306.886
Base-Backbone interact. energy: -1.544
local terms energy: -307.778084
where:
bonds (distance) C4'-P energy: -58.289
bonds (distance) P-C4' energy: -54.735
flat angles C4'-P-C4' energy: -57.205
flat angles P-C4'-P energy: -47.231
tors. eta vs tors. theta energy: -90.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -894.330705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.330705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.330705 (E_RNA)
where:
Base-Base interactions energy: -606.963
where: short stacking energy: -275.029
Base-Backbone interact. energy: -0.775
local terms energy: -286.591801
where:
bonds (distance) C4'-P energy: -54.957
bonds (distance) P-C4' energy: -49.025
flat angles C4'-P-C4' energy: -59.026
flat angles P-C4'-P energy: -39.762
tors. eta vs tors. theta energy: -83.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -890.260531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.260531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.260531 (E_RNA)
where:
Base-Base interactions energy: -591.280
where: short stacking energy: -275.345
Base-Backbone interact. energy: -0.660
local terms energy: -298.320745
where:
bonds (distance) C4'-P energy: -63.159
bonds (distance) P-C4' energy: -52.340
flat angles C4'-P-C4' energy: -57.293
flat angles P-C4'-P energy: -39.260
tors. eta vs tors. theta energy: -86.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -795.758761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.758761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.758761 (E_RNA)
where:
Base-Base interactions energy: -539.318
where: short stacking energy: -247.272
Base-Backbone interact. energy: 1.419
local terms energy: -257.859519
where:
bonds (distance) C4'-P energy: -46.887
bonds (distance) P-C4' energy: -52.948
flat angles C4'-P-C4' energy: -58.271
flat angles P-C4'-P energy: -34.203
tors. eta vs tors. theta energy: -65.550
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: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -765.579389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.579389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.579389 (E_RNA)
where:
Base-Base interactions energy: -506.846
where: short stacking energy: -227.689
Base-Backbone interact. energy: 0.385
local terms energy: -259.118750
where:
bonds (distance) C4'-P energy: -53.486
bonds (distance) P-C4' energy: -49.145
flat angles C4'-P-C4' energy: -60.442
flat angles P-C4'-P energy: -29.891
tors. eta vs tors. theta energy: -66.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -581.673010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.673010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.673010 (E_RNA)
where:
Base-Base interactions energy: -363.625
where: short stacking energy: -170.038
Base-Backbone interact. energy: -0.313
local terms energy: -217.734200
where:
bonds (distance) C4'-P energy: -53.280
bonds (distance) P-C4' energy: -50.350
flat angles C4'-P-C4' energy: -47.839
flat angles P-C4'-P energy: -31.164
tors. eta vs tors. theta energy: -35.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -512.369725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.369725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.369725 (E_RNA)
where:
Base-Base interactions energy: -302.953
where: short stacking energy: -168.182
Base-Backbone interact. energy: -0.469
local terms energy: -208.947142
where:
bonds (distance) C4'-P energy: -43.811
bonds (distance) P-C4' energy: -46.902
flat angles C4'-P-C4' energy: -45.501
flat angles P-C4'-P energy: -29.691
tors. eta vs tors. theta energy: -43.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -363.204453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.204453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.204453 (E_RNA)
where:
Base-Base interactions energy: -187.731
where: short stacking energy: -89.975
Base-Backbone interact. energy: -0.283
local terms energy: -175.190487
where:
bonds (distance) C4'-P energy: -44.670
bonds (distance) P-C4' energy: -56.378
flat angles C4'-P-C4' energy: -35.277
flat angles P-C4'-P energy: -28.572
tors. eta vs tors. theta energy: -10.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -297.308879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.308879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.308879 (E_RNA)
where:
Base-Base interactions energy: -144.725
where: short stacking energy: -88.946
Base-Backbone interact. energy: -0.234
local terms energy: -152.350181
where:
bonds (distance) C4'-P energy: -35.455
bonds (distance) P-C4' energy: -52.021
flat angles C4'-P-C4' energy: -43.193
flat angles P-C4'-P energy: -22.519
tors. eta vs tors. theta energy: 0.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1034.166685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.166685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.166685 (E_RNA)
where:
Base-Base interactions energy: -713.127
where: short stacking energy: -306.704
Base-Backbone interact. energy: -1.058
local terms energy: -319.981052
where:
bonds (distance) C4'-P energy: -65.439
bonds (distance) P-C4' energy: -54.536
flat angles C4'-P-C4' energy: -68.001
flat angles P-C4'-P energy: -45.839
tors. eta vs tors. theta energy: -86.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1006.371786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.371786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.371786 (E_RNA)
where:
Base-Base interactions energy: -699.931
where: short stacking energy: -283.282
Base-Backbone interact. energy: -1.012
local terms energy: -305.429351
where:
bonds (distance) C4'-P energy: -49.442
bonds (distance) P-C4' energy: -64.811
flat angles C4'-P-C4' energy: -58.077
flat angles P-C4'-P energy: -48.127
tors. eta vs tors. theta energy: -84.973
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: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -915.996075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.996075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.996075 (E_RNA)
where:
Base-Base interactions energy: -625.441
where: short stacking energy: -267.358
Base-Backbone interact. energy: -1.694
local terms energy: -288.861019
where:
bonds (distance) C4'-P energy: -53.510
bonds (distance) P-C4' energy: -57.300
flat angles C4'-P-C4' energy: -55.824
flat angles P-C4'-P energy: -42.260
tors. eta vs tors. theta energy: -79.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -883.927248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.927248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.927248 (E_RNA)
where:
Base-Base interactions energy: -598.796
where: short stacking energy: -271.327
Base-Backbone interact. energy: -0.338
local terms energy: -284.793789
where:
bonds (distance) C4'-P energy: -57.497
bonds (distance) P-C4' energy: -48.059
flat angles C4'-P-C4' energy: -57.451
flat angles P-C4'-P energy: -40.476
tors. eta vs tors. theta energy: -81.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -807.154081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.154081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.154081 (E_RNA)
where:
Base-Base interactions energy: -535.048
where: short stacking energy: -226.919
Base-Backbone interact. energy: -0.698
local terms energy: -271.407870
where:
bonds (distance) C4'-P energy: -57.825
bonds (distance) P-C4' energy: -52.517
flat angles C4'-P-C4' energy: -54.545
flat angles P-C4'-P energy: -41.333
tors. eta vs tors. theta energy: -65.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -745.049713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.049713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.049713 (E_RNA)
where:
Base-Base interactions energy: -503.904
where: short stacking energy: -221.871
Base-Backbone interact. energy: -0.521
local terms energy: -240.625084
where:
bonds (distance) C4'-P energy: -46.484
bonds (distance) P-C4' energy: -50.702
flat angles C4'-P-C4' energy: -59.017
flat angles P-C4'-P energy: -27.623
tors. eta vs tors. theta energy: -56.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -593.802006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.802006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.802006 (E_RNA)
where:
Base-Base interactions energy: -371.185
where: short stacking energy: -194.853
Base-Backbone interact. energy: 0.460
local terms energy: -223.076720
where:
bonds (distance) C4'-P energy: -51.714
bonds (distance) P-C4' energy: -41.771
flat angles C4'-P-C4' energy: -56.557
flat angles P-C4'-P energy: -21.955
tors. eta vs tors. theta energy: -51.080
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: 8, replica: 9
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -509.939584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.939584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.939584 (E_RNA)
where:
Base-Base interactions energy: -298.714
where: short stacking energy: -159.409
Base-Backbone interact. energy: -0.445
local terms energy: -210.780520
where:
bonds (distance) C4'-P energy: -43.378
bonds (distance) P-C4' energy: -50.425
flat angles C4'-P-C4' energy: -56.853
flat angles P-C4'-P energy: -32.199
tors. eta vs tors. theta energy: -27.927
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: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -384.562312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.562312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.562312 (E_RNA)
where:
Base-Base interactions energy: -195.951
where: short stacking energy: -103.296
Base-Backbone interact. energy: -1.113
local terms energy: -187.498618
where:
bonds (distance) C4'-P energy: -50.256
bonds (distance) P-C4' energy: -46.019
flat angles C4'-P-C4' energy: -47.895
flat angles P-C4'-P energy: -31.834
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -250.144142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.144142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.144142 (E_RNA)
where:
Base-Base interactions energy: -83.497
where: short stacking energy: -82.546
Base-Backbone interact. energy: -0.670
local terms energy: -165.977666
where:
bonds (distance) C4'-P energy: -42.862
bonds (distance) P-C4' energy: -46.053
flat angles C4'-P-C4' energy: -41.557
flat angles P-C4'-P energy: -29.568
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1035.792449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.792449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.792449 (E_RNA)
where:
Base-Base interactions energy: -718.725
where: short stacking energy: -289.698
Base-Backbone interact. energy: -1.207
local terms energy: -315.860173
where:
bonds (distance) C4'-P energy: -58.452
bonds (distance) P-C4' energy: -56.386
flat angles C4'-P-C4' energy: -68.246
flat angles P-C4'-P energy: -48.178
tors. eta vs tors. theta energy: -84.598
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: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -970.493301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.493301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.493301 (E_RNA)
where:
Base-Base interactions energy: -679.879
where: short stacking energy: -278.410
Base-Backbone interact. energy: -1.949
local terms energy: -288.665407
where:
bonds (distance) C4'-P energy: -51.352
bonds (distance) P-C4' energy: -59.599
flat angles C4'-P-C4' energy: -63.440
flat angles P-C4'-P energy: -31.850
tors. eta vs tors. theta energy: -82.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -881.394298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.394298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.394298 (E_RNA)
where:
Base-Base interactions energy: -601.484
where: short stacking energy: -259.229
Base-Backbone interact. energy: -1.184
local terms energy: -278.725965
where:
bonds (distance) C4'-P energy: -51.551
bonds (distance) P-C4' energy: -55.869
flat angles C4'-P-C4' energy: -58.394
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -75.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -874.168680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.168680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.168680 (E_RNA)
where:
Base-Base interactions energy: -579.982
where: short stacking energy: -256.876
Base-Backbone interact. energy: -1.858
local terms energy: -292.328406
where:
bonds (distance) C4'-P energy: -61.721
bonds (distance) P-C4' energy: -50.581
flat angles C4'-P-C4' energy: -61.876
flat angles P-C4'-P energy: -43.166
tors. eta vs tors. theta energy: -74.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -829.306604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.306604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.306604 (E_RNA)
where:
Base-Base interactions energy: -565.116
where: short stacking energy: -230.750
Base-Backbone interact. energy: -0.534
local terms energy: -263.657234
where:
bonds (distance) C4'-P energy: -47.571
bonds (distance) P-C4' energy: -46.295
flat angles C4'-P-C4' energy: -56.699
flat angles P-C4'-P energy: -41.412
tors. eta vs tors. theta energy: -71.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -752.666396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.666396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.666396 (E_RNA)
where:
Base-Base interactions energy: -525.082
where: short stacking energy: -218.745
Base-Backbone interact. energy: -0.748
local terms energy: -226.836395
where:
bonds (distance) C4'-P energy: -50.239
bonds (distance) P-C4' energy: -40.302
flat angles C4'-P-C4' energy: -52.888
flat angles P-C4'-P energy: -30.571
tors. eta vs tors. theta energy: -52.836
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: 7, replica: 10
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -575.582567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.582567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.582567 (E_RNA)
where:
Base-Base interactions energy: -360.058
where: short stacking energy: -179.055
Base-Backbone interact. energy: -0.005
local terms energy: -215.519289
where:
bonds (distance) C4'-P energy: -47.763
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -49.603
flat angles P-C4'-P energy: -28.881
tors. eta vs tors. theta energy: -42.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -510.224066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.224066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.224066 (E_RNA)
where:
Base-Base interactions energy: -314.639
where: short stacking energy: -172.544
Base-Backbone interact. energy: -2.787
local terms energy: -192.798657
where:
bonds (distance) C4'-P energy: -46.723
bonds (distance) P-C4' energy: -47.433
flat angles C4'-P-C4' energy: -39.722
flat angles P-C4'-P energy: -26.117
tors. eta vs tors. theta energy: -32.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -356.223687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.223687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.223687 (E_RNA)
where:
Base-Base interactions energy: -193.475
where: short stacking energy: -108.571
Base-Backbone interact. energy: -0.790
local terms energy: -161.958560
where:
bonds (distance) C4'-P energy: -41.600
bonds (distance) P-C4' energy: -44.265
flat angles C4'-P-C4' energy: -43.440
flat angles P-C4'-P energy: -29.987
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -257.254690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.254690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.254690 (E_RNA)
where:
Base-Base interactions energy: -91.116
where: short stacking energy: -89.294
Base-Backbone interact. energy: -1.037
local terms energy: -165.101506
where:
bonds (distance) C4'-P energy: -33.752
bonds (distance) P-C4' energy: -52.359
flat angles C4'-P-C4' energy: -49.297
flat angles P-C4'-P energy: -29.082
tors. eta vs tors. theta energy: -0.611
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: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1032.524680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.524680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.524680 (E_RNA)
where:
Base-Base interactions energy: -727.748
where: short stacking energy: -309.446
Base-Backbone interact. energy: -1.088
local terms energy: -303.687949
where:
bonds (distance) C4'-P energy: -53.579
bonds (distance) P-C4' energy: -52.972
flat angles C4'-P-C4' energy: -63.878
flat angles P-C4'-P energy: -42.168
tors. eta vs tors. theta energy: -91.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -962.606703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.606703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.606703 (E_RNA)
where:
Base-Base interactions energy: -672.252
where: short stacking energy: -284.529
Base-Backbone interact. energy: -0.852
local terms energy: -289.502950
where:
bonds (distance) C4'-P energy: -55.469
bonds (distance) P-C4' energy: -50.671
flat angles C4'-P-C4' energy: -60.647
flat angles P-C4'-P energy: -37.668
tors. eta vs tors. theta energy: -85.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -898.256445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.256445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.256445 (E_RNA)
where:
Base-Base interactions energy: -604.827
where: short stacking energy: -274.689
Base-Backbone interact. energy: -0.147
local terms energy: -293.282764
where:
bonds (distance) C4'-P energy: -50.344
bonds (distance) P-C4' energy: -52.808
flat angles C4'-P-C4' energy: -66.649
flat angles P-C4'-P energy: -46.629
tors. eta vs tors. theta energy: -76.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -873.464923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.464923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.464923 (E_RNA)
where:
Base-Base interactions energy: -597.241
where: short stacking energy: -253.132
Base-Backbone interact. energy: -1.669
local terms energy: -274.555503
where:
bonds (distance) C4'-P energy: -49.285
bonds (distance) P-C4' energy: -48.722
flat angles C4'-P-C4' energy: -53.287
flat angles P-C4'-P energy: -44.017
tors. eta vs tors. theta energy: -79.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -899.582216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.582216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.582216 (E_RNA)
where:
Base-Base interactions energy: -619.970
where: short stacking energy: -267.463
Base-Backbone interact. energy: -0.853
local terms energy: -278.758823
where:
bonds (distance) C4'-P energy: -54.254
bonds (distance) P-C4' energy: -53.582
flat angles C4'-P-C4' energy: -48.985
flat angles P-C4'-P energy: -37.666
tors. eta vs tors. theta energy: -84.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -733.566315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.566315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.566315 (E_RNA)
where:
Base-Base interactions energy: -471.192
where: short stacking energy: -200.401
Base-Backbone interact. energy: -1.412
local terms energy: -260.962328
where:
bonds (distance) C4'-P energy: -55.620
bonds (distance) P-C4' energy: -57.168
flat angles C4'-P-C4' energy: -60.408
flat angles P-C4'-P energy: -31.656
tors. eta vs tors. theta energy: -56.110
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: 10
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -572.013174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.013174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.013174 (E_RNA)
where:
Base-Base interactions energy: -355.565
where: short stacking energy: -162.377
Base-Backbone interact. energy: -1.852
local terms energy: -214.596489
where:
bonds (distance) C4'-P energy: -55.017
bonds (distance) P-C4' energy: -55.530
flat angles C4'-P-C4' energy: -40.524
flat angles P-C4'-P energy: -32.629
tors. eta vs tors. theta energy: -30.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -478.993007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.993007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.993007 (E_RNA)
where:
Base-Base interactions energy: -287.162
where: short stacking energy: -136.359
Base-Backbone interact. energy: -1.331
local terms energy: -190.500648
where:
bonds (distance) C4'-P energy: -50.705
bonds (distance) P-C4' energy: -48.705
flat angles C4'-P-C4' energy: -45.502
flat angles P-C4'-P energy: -26.813
tors. eta vs tors. theta energy: -18.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -369.589346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.589346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.589346 (E_RNA)
where:
Base-Base interactions energy: -174.305
where: short stacking energy: -98.107
Base-Backbone interact. energy: 0.554
local terms energy: -195.837705
where:
bonds (distance) C4'-P energy: -52.597
bonds (distance) P-C4' energy: -51.454
flat angles C4'-P-C4' energy: -49.365
flat angles P-C4'-P energy: -35.179
tors. eta vs tors. theta energy: -7.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -240.806751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.806751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.806751 (E_RNA)
where:
Base-Base interactions energy: -90.664
where: short stacking energy: -67.360
Base-Backbone interact. energy: -1.290
local terms energy: -148.852740
where:
bonds (distance) C4'-P energy: -44.454
bonds (distance) P-C4' energy: -53.029
flat angles C4'-P-C4' energy: -46.401
flat angles P-C4'-P energy: -17.373
tors. eta vs tors. theta energy: 12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1020.092660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.092660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.092660 (E_RNA)
where:
Base-Base interactions energy: -695.699
where: short stacking energy: -301.245
Base-Backbone interact. energy: -1.066
local terms energy: -323.328228
where:
bonds (distance) C4'-P energy: -61.491
bonds (distance) P-C4' energy: -61.786
flat angles C4'-P-C4' energy: -71.920
flat angles P-C4'-P energy: -41.626
tors. eta vs tors. theta energy: -86.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -941.421636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.421636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.421636 (E_RNA)
where:
Base-Base interactions energy: -648.445
where: short stacking energy: -265.332
Base-Backbone interact. energy: -0.146
local terms energy: -292.830194
where:
bonds (distance) C4'-P energy: -52.680
bonds (distance) P-C4' energy: -54.789
flat angles C4'-P-C4' energy: -63.813
flat angles P-C4'-P energy: -40.479
tors. eta vs tors. theta energy: -81.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -909.282146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.282146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.282146 (E_RNA)
where:
Base-Base interactions energy: -625.074
where: short stacking energy: -251.457
Base-Backbone interact. energy: -1.632
local terms energy: -282.576546
where:
bonds (distance) C4'-P energy: -53.177
bonds (distance) P-C4' energy: -54.365
flat angles C4'-P-C4' energy: -59.057
flat angles P-C4'-P energy: -40.312
tors. eta vs tors. theta energy: -75.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -889.653170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.653170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.653170 (E_RNA)
where:
Base-Base interactions energy: -593.661
where: short stacking energy: -261.756
Base-Backbone interact. energy: -0.525
local terms energy: -295.467837
where:
bonds (distance) C4'-P energy: -55.157
bonds (distance) P-C4' energy: -56.260
flat angles C4'-P-C4' energy: -59.693
flat angles P-C4'-P energy: -45.433
tors. eta vs tors. theta energy: -78.925
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: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -882.449371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.449371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.449371 (E_RNA)
where:
Base-Base interactions energy: -598.358
where: short stacking energy: -254.002
Base-Backbone interact. energy: -1.206
local terms energy: -282.885055
where:
bonds (distance) C4'-P energy: -56.086
bonds (distance) P-C4' energy: -54.217
flat angles C4'-P-C4' energy: -57.232
flat angles P-C4'-P energy: -36.064
tors. eta vs tors. theta energy: -79.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -754.487305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.487305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.487305 (E_RNA)
where:
Base-Base interactions energy: -507.420
where: short stacking energy: -215.772
Base-Backbone interact. energy: -0.660
local terms energy: -246.407845
where:
bonds (distance) C4'-P energy: -44.708
bonds (distance) P-C4' energy: -50.744
flat angles C4'-P-C4' energy: -54.456
flat angles P-C4'-P energy: -35.540
tors. eta vs tors. theta energy: -60.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -527.875218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.875218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.875218 (E_RNA)
where:
Base-Base interactions energy: -299.368
where: short stacking energy: -150.224
Base-Backbone interact. energy: -1.942
local terms energy: -226.564750
where:
bonds (distance) C4'-P energy: -58.976
bonds (distance) P-C4' energy: -59.670
flat angles C4'-P-C4' energy: -50.007
flat angles P-C4'-P energy: -31.898
tors. eta vs tors. theta energy: -26.014
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: 124
Temperature: 1.250000
Total energy: -514.029704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.029704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.029704 (E_RNA)
where:
Base-Base interactions energy: -313.229
where: short stacking energy: -138.337
Base-Backbone interact. energy: -0.943
local terms energy: -199.858146
where:
bonds (distance) C4'-P energy: -48.278
bonds (distance) P-C4' energy: -56.366
flat angles C4'-P-C4' energy: -51.416
flat angles P-C4'-P energy: -32.114
tors. eta vs tors. theta energy: -11.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -339.510221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.510221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.510221 (E_RNA)
where:
Base-Base interactions energy: -164.802
where: short stacking energy: -99.425
Base-Backbone interact. energy: 0.059
local terms energy: -174.767216
where:
bonds (distance) C4'-P energy: -43.006
bonds (distance) P-C4' energy: -56.614
flat angles C4'-P-C4' energy: -50.825
flat angles P-C4'-P energy: -19.316
tors. eta vs tors. theta energy: -5.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -333.108879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.108879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.108879 (E_RNA)
where:
Base-Base interactions energy: -178.422
where: short stacking energy: -102.832
Base-Backbone interact. energy: 1.105
local terms energy: -155.792299
where:
bonds (distance) C4'-P energy: -41.941
bonds (distance) P-C4' energy: -54.311
flat angles C4'-P-C4' energy: -28.910
flat angles P-C4'-P energy: -26.525
tors. eta vs tors. theta energy: -4.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1031.015751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.015751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.015751 (E_RNA)
where:
Base-Base interactions energy: -708.502
where: short stacking energy: -299.431
Base-Backbone interact. energy: -2.062
local terms energy: -320.451614
where:
bonds (distance) C4'-P energy: -60.612
bonds (distance) P-C4' energy: -61.079
flat angles C4'-P-C4' energy: -61.673
flat angles P-C4'-P energy: -45.534
tors. eta vs tors. theta energy: -91.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -947.904603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.904603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.904603 (E_RNA)
where:
Base-Base interactions energy: -666.630
where: short stacking energy: -271.495
Base-Backbone interact. energy: -0.968
local terms energy: -280.306057
where:
bonds (distance) C4'-P energy: -59.252
bonds (distance) P-C4' energy: -50.885
flat angles C4'-P-C4' energy: -62.759
flat angles P-C4'-P energy: -32.606
tors. eta vs tors. theta energy: -74.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -925.804039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.804039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.804039 (E_RNA)
where:
Base-Base interactions energy: -619.145
where: short stacking energy: -268.618
Base-Backbone interact. energy: -2.600
local terms energy: -304.058746
where:
bonds (distance) C4'-P energy: -55.483
bonds (distance) P-C4' energy: -55.190
flat angles C4'-P-C4' energy: -65.035
flat angles P-C4'-P energy: -42.221
tors. eta vs tors. theta energy: -86.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -892.349740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.349740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.349740 (E_RNA)
where:
Base-Base interactions energy: -597.183
where: short stacking energy: -279.771
Base-Backbone interact. energy: -0.756
local terms energy: -294.411154
where:
bonds (distance) C4'-P energy: -50.906
bonds (distance) P-C4' energy: -55.826
flat angles C4'-P-C4' energy: -60.030
flat angles P-C4'-P energy: -43.420
tors. eta vs tors. theta energy: -84.229
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: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -838.832903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.832903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.832903 (E_RNA)
where:
Base-Base interactions energy: -571.109
where: short stacking energy: -260.820
Base-Backbone interact. energy: -1.724
local terms energy: -266.000790
where:
bonds (distance) C4'-P energy: -43.605
bonds (distance) P-C4' energy: -53.356
flat angles C4'-P-C4' energy: -61.914
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -71.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -769.245569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.245569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.245569 (E_RNA)
where:
Base-Base interactions energy: -528.718
where: short stacking energy: -230.020
Base-Backbone interact. energy: -0.537
local terms energy: -239.989719
where:
bonds (distance) C4'-P energy: -49.504
bonds (distance) P-C4' energy: -45.161
flat angles C4'-P-C4' energy: -56.232
flat angles P-C4'-P energy: -29.468
tors. eta vs tors. theta energy: -59.625
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: 9
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -539.742493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -539.742493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -539.742493 (E_RNA)
where:
Base-Base interactions energy: -360.811
where: short stacking energy: -161.220
Base-Backbone interact. energy: -1.532
local terms energy: -177.398592
where:
bonds (distance) C4'-P energy: -37.736
bonds (distance) P-C4' energy: -46.855
flat angles C4'-P-C4' energy: -50.111
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -28.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -536.418335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.418335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.418335 (E_RNA)
where:
Base-Base interactions energy: -330.629
where: short stacking energy: -162.749
Base-Backbone interact. energy: -1.324
local terms energy: -204.465344
where:
bonds (distance) C4'-P energy: -40.864
bonds (distance) P-C4' energy: -43.191
flat angles C4'-P-C4' energy: -46.426
flat angles P-C4'-P energy: -38.370
tors. eta vs tors. theta energy: -35.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -344.278546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.278546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.278546 (E_RNA)
where:
Base-Base interactions energy: -175.804
where: short stacking energy: -84.922
Base-Backbone interact. energy: -1.168
local terms energy: -167.306433
where:
bonds (distance) C4'-P energy: -49.997
bonds (distance) P-C4' energy: -50.545
flat angles C4'-P-C4' energy: -36.227
flat angles P-C4'-P energy: -32.092
tors. eta vs tors. theta energy: 1.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -336.742135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.742135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.742135 (E_RNA)
where:
Base-Base interactions energy: -185.260
where: short stacking energy: -108.574
Base-Backbone interact. energy: 2.081
local terms energy: -153.563708
where:
bonds (distance) C4'-P energy: -43.283
bonds (distance) P-C4' energy: -51.228
flat angles C4'-P-C4' energy: -37.988
flat angles P-C4'-P energy: -18.202
tors. eta vs tors. theta energy: -2.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1025.094843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.094843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.094843 (E_RNA)
where:
Base-Base interactions energy: -720.981
where: short stacking energy: -310.535
Base-Backbone interact. energy: -0.559
local terms energy: -303.555111
where:
bonds (distance) C4'-P energy: -46.308
bonds (distance) P-C4' energy: -60.020
flat angles C4'-P-C4' energy: -65.027
flat angles P-C4'-P energy: -40.574
tors. eta vs tors. theta energy: -91.625
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: 5
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -941.216073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.216073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.216073 (E_RNA)
where:
Base-Base interactions energy: -643.592
where: short stacking energy: -269.603
Base-Backbone interact. energy: -0.061
local terms energy: -297.562447
where:
bonds (distance) C4'-P energy: -51.222
bonds (distance) P-C4' energy: -62.632
flat angles C4'-P-C4' energy: -62.813
flat angles P-C4'-P energy: -36.603
tors. eta vs tors. theta energy: -84.292
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: 126
Temperature: 1.000000
Total energy: -925.019715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.019715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.019715 (E_RNA)
where:
Base-Base interactions energy: -632.194
where: short stacking energy: -266.913
Base-Backbone interact. energy: -1.449
local terms energy: -291.376849
where:
bonds (distance) C4'-P energy: -46.668
bonds (distance) P-C4' energy: -60.237
flat angles C4'-P-C4' energy: -62.015
flat angles P-C4'-P energy: -39.257
tors. eta vs tors. theta energy: -83.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -882.479435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.479435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.479435 (E_RNA)
where:
Base-Base interactions energy: -596.490
where: short stacking energy: -273.728
Base-Backbone interact. energy: -0.046
local terms energy: -285.943618
where:
bonds (distance) C4'-P energy: -47.973
bonds (distance) P-C4' energy: -47.620
flat angles C4'-P-C4' energy: -62.523
flat angles P-C4'-P energy: -44.280
tors. eta vs tors. theta energy: -83.548
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: 8
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -815.735722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.735722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.735722 (E_RNA)
where:
Base-Base interactions energy: -558.078
where: short stacking energy: -240.984
Base-Backbone interact. energy: -0.309
local terms energy: -257.348403
where:
bonds (distance) C4'-P energy: -43.351
bonds (distance) P-C4' energy: -55.970
flat angles C4'-P-C4' energy: -57.565
flat angles P-C4'-P energy: -32.697
tors. eta vs tors. theta energy: -67.767
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: 126
Temperature: 1.150000
Total energy: -737.953182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.953182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.953182 (E_RNA)
where:
Base-Base interactions energy: -479.075
where: short stacking energy: -217.793
Base-Backbone interact. energy: -0.046
local terms energy: -258.832367
where:
bonds (distance) C4'-P energy: -46.030
bonds (distance) P-C4' energy: -51.934
flat angles C4'-P-C4' energy: -59.564
flat angles P-C4'-P energy: -39.194
tors. eta vs tors. theta energy: -62.110
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: 9
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -581.387829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.387829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.387829 (E_RNA)
where:
Base-Base interactions energy: -360.750
where: short stacking energy: -169.270
Base-Backbone interact. energy: 3.960
local terms energy: -224.598679
where:
bonds (distance) C4'-P energy: -47.765
bonds (distance) P-C4' energy: -59.039
flat angles C4'-P-C4' energy: -53.745
flat angles P-C4'-P energy: -32.279
tors. eta vs tors. theta energy: -31.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -550.687583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.687583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.687583 (E_RNA)
where:
Base-Base interactions energy: -333.058
where: short stacking energy: -160.973
Base-Backbone interact. energy: 4.096
local terms energy: -221.725743
where:
bonds (distance) C4'-P energy: -54.075
bonds (distance) P-C4' energy: -58.652
flat angles C4'-P-C4' energy: -48.896
flat angles P-C4'-P energy: -29.352
tors. eta vs tors. theta energy: -30.751
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: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -370.392084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.392084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.392084 (E_RNA)
where:
Base-Base interactions energy: -195.009
where: short stacking energy: -116.209
Base-Backbone interact. energy: 2.046
local terms energy: -177.429318
where:
bonds (distance) C4'-P energy: -42.434
bonds (distance) P-C4' energy: -53.123
flat angles C4'-P-C4' energy: -42.049
flat angles P-C4'-P energy: -25.462
tors. eta vs tors. theta energy: -14.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -308.938707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -308.938707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -308.938707 (E_RNA)
where:
Base-Base interactions energy: -140.685
where: short stacking energy: -71.475
Base-Backbone interact. energy: -1.369
local terms energy: -166.885020
where:
bonds (distance) C4'-P energy: -49.239
bonds (distance) P-C4' energy: -53.301
flat angles C4'-P-C4' energy: -43.699
flat angles P-C4'-P energy: -17.647
tors. eta vs tors. theta energy: -2.999
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: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1037.556584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.556584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.556584 (E_RNA)
where:
Base-Base interactions energy: -720.550
where: short stacking energy: -302.492
Base-Backbone interact. energy: -2.136
local terms energy: -314.870878
where:
bonds (distance) C4'-P energy: -57.838
bonds (distance) P-C4' energy: -57.947
flat angles C4'-P-C4' energy: -60.001
flat angles P-C4'-P energy: -47.485
tors. eta vs tors. theta energy: -91.600
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: 7
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -957.859792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.859792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.859792 (E_RNA)
where:
Base-Base interactions energy: -652.052
where: short stacking energy: -276.606
Base-Backbone interact. energy: -0.618
local terms energy: -305.190270
where:
bonds (distance) C4'-P energy: -54.535
bonds (distance) P-C4' energy: -60.152
flat angles C4'-P-C4' energy: -59.991
flat angles P-C4'-P energy: -48.888
tors. eta vs tors. theta energy: -81.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -896.952930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.952930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.952930 (E_RNA)
where:
Base-Base interactions energy: -609.003
where: short stacking energy: -274.863
Base-Backbone interact. energy: 0.951
local terms energy: -288.900514
where:
bonds (distance) C4'-P energy: -59.763
bonds (distance) P-C4' energy: -54.194
flat angles C4'-P-C4' energy: -62.851
flat angles P-C4'-P energy: -37.037
tors. eta vs tors. theta energy: -75.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -883.309290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.309290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.309290 (E_RNA)
where:
Base-Base interactions energy: -604.049
where: short stacking energy: -274.077
Base-Backbone interact. energy: -0.270
local terms energy: -278.989782
where:
bonds (distance) C4'-P energy: -48.360
bonds (distance) P-C4' energy: -49.045
flat angles C4'-P-C4' energy: -63.304
flat angles P-C4'-P energy: -41.588
tors. eta vs tors. theta energy: -76.692
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: 127
Temperature: 1.100000
Total energy: -794.553315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.553315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.553315 (E_RNA)
where:
Base-Base interactions energy: -537.033
where: short stacking energy: -242.653
Base-Backbone interact. energy: -0.644
local terms energy: -256.877152
where:
bonds (distance) C4'-P energy: -49.152
bonds (distance) P-C4' energy: -46.599
flat angles C4'-P-C4' energy: -52.236
flat angles P-C4'-P energy: -46.599
tors. eta vs tors. theta energy: -62.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -745.957722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.957722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.957722 (E_RNA)
where:
Base-Base interactions energy: -477.887
where: short stacking energy: -215.784
Base-Backbone interact. energy: -1.126
local terms energy: -266.944245
where:
bonds (distance) C4'-P energy: -56.916
bonds (distance) P-C4' energy: -60.342
flat angles C4'-P-C4' energy: -55.634
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: -60.639
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: 9
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -552.148067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.148067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.148067 (E_RNA)
where:
Base-Base interactions energy: -336.963
where: short stacking energy: -159.257
Base-Backbone interact. energy: -1.042
local terms energy: -214.143535
where:
bonds (distance) C4'-P energy: -52.533
bonds (distance) P-C4' energy: -53.781
flat angles C4'-P-C4' energy: -44.014
flat angles P-C4'-P energy: -30.013
tors. eta vs tors. theta energy: -33.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -476.616084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.616084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.616084 (E_RNA)
where:
Base-Base interactions energy: -288.303
where: short stacking energy: -144.937
Base-Backbone interact. energy: -1.198
local terms energy: -187.115779
where:
bonds (distance) C4'-P energy: -45.814
bonds (distance) P-C4' energy: -46.918
flat angles C4'-P-C4' energy: -50.773
flat angles P-C4'-P energy: -27.707
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -360.498301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.498301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.498301 (E_RNA)
where:
Base-Base interactions energy: -172.862
where: short stacking energy: -102.851
Base-Backbone interact. energy: -0.637
local terms energy: -186.999594
where:
bonds (distance) C4'-P energy: -62.937
bonds (distance) P-C4' energy: -40.836
flat angles C4'-P-C4' energy: -49.722
flat angles P-C4'-P energy: -24.548
tors. eta vs tors. theta energy: -8.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -276.918357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.918357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.918357 (E_RNA)
where:
Base-Base interactions energy: -122.611
where: short stacking energy: -79.703
Base-Backbone interact. energy: 1.781
local terms energy: -156.088300
where:
bonds (distance) C4'-P energy: -60.967
bonds (distance) P-C4' energy: -50.488
flat angles C4'-P-C4' energy: -31.822
flat angles P-C4'-P energy: -22.651
tors. eta vs tors. theta energy: 9.840
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: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1025.349559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.349559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.349559 (E_RNA)
where:
Base-Base interactions energy: -721.423
where: short stacking energy: -301.214
Base-Backbone interact. energy: -0.434
local terms energy: -303.492054
where:
bonds (distance) C4'-P energy: -59.316
bonds (distance) P-C4' energy: -52.516
flat angles C4'-P-C4' energy: -62.553
flat angles P-C4'-P energy: -34.932
tors. eta vs tors. theta energy: -94.175
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: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -969.146595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.146595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.146595 (E_RNA)
where:
Base-Base interactions energy: -669.194
where: short stacking energy: -301.594
Base-Backbone interact. energy: -1.094
local terms energy: -298.858783
where:
bonds (distance) C4'-P energy: -47.289
bonds (distance) P-C4' energy: -55.941
flat angles C4'-P-C4' energy: -66.905
flat angles P-C4'-P energy: -40.723
tors. eta vs tors. theta energy: -88.001
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: 128
Temperature: 1.000000
Total energy: -910.346306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.346306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.346306 (E_RNA)
where:
Base-Base interactions energy: -626.512
where: short stacking energy: -255.111
Base-Backbone interact. energy: -1.821
local terms energy: -282.013495
where:
bonds (distance) C4'-P energy: -53.901
bonds (distance) P-C4' energy: -48.390
flat angles C4'-P-C4' energy: -57.547
flat angles P-C4'-P energy: -42.164
tors. eta vs tors. theta energy: -80.012
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: 4, replica: 2
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -884.415102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.415102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.415102 (E_RNA)
where:
Base-Base interactions energy: -600.982
where: short stacking energy: -255.777
Base-Backbone interact. energy: -0.438
local terms energy: -282.995403
where:
bonds (distance) C4'-P energy: -50.499
bonds (distance) P-C4' energy: -50.811
flat angles C4'-P-C4' energy: -60.816
flat angles P-C4'-P energy: -40.062
tors. eta vs tors. theta energy: -80.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -804.895789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.895789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.895789 (E_RNA)
where:
Base-Base interactions energy: -541.353
where: short stacking energy: -243.169
Base-Backbone interact. energy: -1.008
local terms energy: -262.534720
where:
bonds (distance) C4'-P energy: -52.609
bonds (distance) P-C4' energy: -58.125
flat angles C4'-P-C4' energy: -47.938
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -63.529
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: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -720.886446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.886446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.886446 (E_RNA)
where:
Base-Base interactions energy: -482.746
where: short stacking energy: -211.704
Base-Backbone interact. energy: 0.899
local terms energy: -239.040316
where:
bonds (distance) C4'-P energy: -44.383
bonds (distance) P-C4' energy: -50.487
flat angles C4'-P-C4' energy: -51.284
flat angles P-C4'-P energy: -32.571
tors. eta vs tors. theta energy: -60.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -519.572247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.572247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.572247 (E_RNA)
where:
Base-Base interactions energy: -316.522
where: short stacking energy: -146.759
Base-Backbone interact. energy: -0.363
local terms energy: -202.687217
where:
bonds (distance) C4'-P energy: -50.533
bonds (distance) P-C4' energy: -55.509
flat angles C4'-P-C4' energy: -54.395
flat angles P-C4'-P energy: -19.024
tors. eta vs tors. theta energy: -23.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -548.916825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.916825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.916825 (E_RNA)
where:
Base-Base interactions energy: -346.404
where: short stacking energy: -149.280
Base-Backbone interact. energy: -0.636
local terms energy: -201.876381
where:
bonds (distance) C4'-P energy: -39.235
bonds (distance) P-C4' energy: -46.721
flat angles C4'-P-C4' energy: -53.379
flat angles P-C4'-P energy: -38.539
tors. eta vs tors. theta energy: -24.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -352.063039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.063039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.063039 (E_RNA)
where:
Base-Base interactions energy: -183.113
where: short stacking energy: -104.617
Base-Backbone interact. energy: -1.837
local terms energy: -167.112865
where:
bonds (distance) C4'-P energy: -49.422
bonds (distance) P-C4' energy: -43.055
flat angles C4'-P-C4' energy: -27.931
flat angles P-C4'-P energy: -32.528
tors. eta vs tors. theta energy: -14.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -323.661480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.661480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.661480 (E_RNA)
where:
Base-Base interactions energy: -166.227
where: short stacking energy: -84.999
Base-Backbone interact. energy: 0.268
local terms energy: -157.701555
where:
bonds (distance) C4'-P energy: -38.935
bonds (distance) P-C4' energy: -51.148
flat angles C4'-P-C4' energy: -39.077
flat angles P-C4'-P energy: -31.206
tors. eta vs tors. theta energy: 2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1033.187696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.187696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.187696 (E_RNA)
where:
Base-Base interactions energy: -721.113
where: short stacking energy: -303.000
Base-Backbone interact. energy: -2.196
local terms energy: -309.878961
where:
bonds (distance) C4'-P energy: -61.837
bonds (distance) P-C4' energy: -52.035
flat angles C4'-P-C4' energy: -64.343
flat angles P-C4'-P energy: -40.325
tors. eta vs tors. theta energy: -91.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -964.898260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.898260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.898260 (E_RNA)
where:
Base-Base interactions energy: -657.253
where: short stacking energy: -288.828
Base-Backbone interact. energy: -1.440
local terms energy: -306.205134
where:
bonds (distance) C4'-P energy: -61.277
bonds (distance) P-C4' energy: -60.349
flat angles C4'-P-C4' energy: -59.182
flat angles P-C4'-P energy: -36.911
tors. eta vs tors. theta energy: -88.488
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: 5
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -944.893493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.893493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.893493 (E_RNA)
where:
Base-Base interactions energy: -655.569
where: short stacking energy: -290.666
Base-Backbone interact. energy: -0.806
local terms energy: -288.518753
where:
bonds (distance) C4'-P energy: -48.384
bonds (distance) P-C4' energy: -53.637
flat angles C4'-P-C4' energy: -61.143
flat angles P-C4'-P energy: -41.944
tors. eta vs tors. theta energy: -83.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -864.731193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.731193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.731193 (E_RNA)
where:
Base-Base interactions energy: -570.353
where: short stacking energy: -264.063
Base-Backbone interact. energy: 0.910
local terms energy: -295.287328
where:
bonds (distance) C4'-P energy: -62.112
bonds (distance) P-C4' energy: -50.974
flat angles C4'-P-C4' energy: -67.276
flat angles P-C4'-P energy: -38.508
tors. eta vs tors. theta energy: -76.417
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: 8
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -800.565534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.565534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.565534 (E_RNA)
where:
Base-Base interactions energy: -522.031
where: short stacking energy: -254.703
Base-Backbone interact. energy: -0.259
local terms energy: -278.275966
where:
bonds (distance) C4'-P energy: -44.042
bonds (distance) P-C4' energy: -61.237
flat angles C4'-P-C4' energy: -59.650
flat angles P-C4'-P energy: -38.832
tors. eta vs tors. theta energy: -74.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -720.188588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.188588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.188588 (E_RNA)
where:
Base-Base interactions energy: -475.205
where: short stacking energy: -220.681
Base-Backbone interact. energy: -1.812
local terms energy: -243.172086
where:
bonds (distance) C4'-P energy: -55.284
bonds (distance) P-C4' energy: -57.235
flat angles C4'-P-C4' energy: -50.740
flat angles P-C4'-P energy: -31.926
tors. eta vs tors. theta energy: -47.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -529.710972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.710972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.710972 (E_RNA)
where:
Base-Base interactions energy: -311.576
where: short stacking energy: -155.216
Base-Backbone interact. energy: -0.089
local terms energy: -218.046515
where:
bonds (distance) C4'-P energy: -40.973
bonds (distance) P-C4' energy: -58.633
flat angles C4'-P-C4' energy: -50.434
flat angles P-C4'-P energy: -29.868
tors. eta vs tors. theta energy: -38.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -549.977090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.977090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.977090 (E_RNA)
where:
Base-Base interactions energy: -338.478
where: short stacking energy: -158.470
Base-Backbone interact. energy: -1.151
local terms energy: -210.347968
where:
bonds (distance) C4'-P energy: -51.293
bonds (distance) P-C4' energy: -48.844
flat angles C4'-P-C4' energy: -45.089
flat angles P-C4'-P energy: -36.811
tors. eta vs tors. theta energy: -28.311
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: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -311.530015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -311.530015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -311.530015 (E_RNA)
where:
Base-Base interactions energy: -145.785
where: short stacking energy: -97.779
Base-Backbone interact. energy: -1.494
local terms energy: -164.250459
where:
bonds (distance) C4'-P energy: -45.541
bonds (distance) P-C4' energy: -49.588
flat angles C4'-P-C4' energy: -45.800
flat angles P-C4'-P energy: -24.263
tors. eta vs tors. theta energy: 0.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -358.985433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.985433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.985433 (E_RNA)
where:
Base-Base interactions energy: -216.687
where: short stacking energy: -111.853
Base-Backbone interact. energy: -2.124
local terms energy: -140.174464
where:
bonds (distance) C4'-P energy: -40.559
bonds (distance) P-C4' energy: -44.304
flat angles C4'-P-C4' energy: -36.387
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -7.053
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: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1026.267590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.267590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.267590 (E_RNA)
where:
Base-Base interactions energy: -708.732
where: short stacking energy: -297.803
Base-Backbone interact. energy: 3.998
local terms energy: -321.533523
where:
bonds (distance) C4'-P energy: -55.082
bonds (distance) P-C4' energy: -61.411
flat angles C4'-P-C4' energy: -68.442
flat angles P-C4'-P energy: -43.980
tors. eta vs tors. theta energy: -92.619
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: 130
Temperature: 0.950000
Total energy: -1008.915309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.915309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.915309 (E_RNA)
where:
Base-Base interactions energy: -687.061
where: short stacking energy: -278.685
Base-Backbone interact. energy: -0.405
local terms energy: -321.448790
where:
bonds (distance) C4'-P energy: -56.336
bonds (distance) P-C4' energy: -58.199
flat angles C4'-P-C4' energy: -69.995
flat angles P-C4'-P energy: -46.046
tors. eta vs tors. theta energy: -90.874
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: 5
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -914.415315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.415315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.415315 (E_RNA)
where:
Base-Base interactions energy: -624.535
where: short stacking energy: -267.693
Base-Backbone interact. energy: -1.718
local terms energy: -288.162149
where:
bonds (distance) C4'-P energy: -50.300
bonds (distance) P-C4' energy: -56.557
flat angles C4'-P-C4' energy: -58.730
flat angles P-C4'-P energy: -41.649
tors. eta vs tors. theta energy: -80.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -876.709939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.709939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.709939 (E_RNA)
where:
Base-Base interactions energy: -601.786
where: short stacking energy: -281.434
Base-Backbone interact. energy: 0.767
local terms energy: -275.690701
where:
bonds (distance) C4'-P energy: -46.464
bonds (distance) P-C4' energy: -54.343
flat angles C4'-P-C4' energy: -55.193
flat angles P-C4'-P energy: -36.267
tors. eta vs tors. theta energy: -83.424
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: 130
Temperature: 1.100000
Total energy: -793.066418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.066418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.066418 (E_RNA)
where:
Base-Base interactions energy: -542.905
where: short stacking energy: -262.703
Base-Backbone interact. energy: -1.485
local terms energy: -248.675993
where:
bonds (distance) C4'-P energy: -40.569
bonds (distance) P-C4' energy: -40.499
flat angles C4'-P-C4' energy: -56.194
flat angles P-C4'-P energy: -39.052
tors. eta vs tors. theta energy: -72.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -708.997279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.997279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.997279 (E_RNA)
where:
Base-Base interactions energy: -459.792
where: short stacking energy: -208.770
Base-Backbone interact. energy: -1.249
local terms energy: -247.955652
where:
bonds (distance) C4'-P energy: -44.686
bonds (distance) P-C4' energy: -55.844
flat angles C4'-P-C4' energy: -53.060
flat angles P-C4'-P energy: -39.395
tors. eta vs tors. theta energy: -54.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -561.137348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.137348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.137348 (E_RNA)
where:
Base-Base interactions energy: -354.881
where: short stacking energy: -179.191
Base-Backbone interact. energy: -0.399
local terms energy: -205.857796
where:
bonds (distance) C4'-P energy: -38.560
bonds (distance) P-C4' energy: -47.047
flat angles C4'-P-C4' energy: -49.643
flat angles P-C4'-P energy: -25.537
tors. eta vs tors. theta energy: -45.070
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: 130
Temperature: 1.250000
Total energy: -507.629259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.629259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.629259 (E_RNA)
where:
Base-Base interactions energy: -302.161
where: short stacking energy: -155.790
Base-Backbone interact. energy: 0.511
local terms energy: -205.979281
where:
bonds (distance) C4'-P energy: -49.669
bonds (distance) P-C4' energy: -40.511
flat angles C4'-P-C4' energy: -54.788
flat angles P-C4'-P energy: -29.762
tors. eta vs tors. theta energy: -31.249
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: 1
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -433.016286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.016286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.016286 (E_RNA)
where:
Base-Base interactions energy: -251.267
where: short stacking energy: -128.624
Base-Backbone interact. energy: -1.261
local terms energy: -180.488155
where:
bonds (distance) C4'-P energy: -50.717
bonds (distance) P-C4' energy: -35.529
flat angles C4'-P-C4' energy: -46.675
flat angles P-C4'-P energy: -29.258
tors. eta vs tors. theta energy: -18.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -257.923796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.923796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.923796 (E_RNA)
where:
Base-Base interactions energy: -117.987
where: short stacking energy: -78.214
Base-Backbone interact. energy: -1.220
local terms energy: -138.717108
where:
bonds (distance) C4'-P energy: -28.365
bonds (distance) P-C4' energy: -47.041
flat angles C4'-P-C4' energy: -35.604
flat angles P-C4'-P energy: -29.588
tors. eta vs tors. theta energy: 1.882
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: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1047.693185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.693185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.693185 (E_RNA)
where:
Base-Base interactions energy: -726.046
where: short stacking energy: -311.700
Base-Backbone interact. energy: 0.430
local terms energy: -322.077904
where:
bonds (distance) C4'-P energy: -61.084
bonds (distance) P-C4' energy: -56.303
flat angles C4'-P-C4' energy: -65.753
flat angles P-C4'-P energy: -48.848
tors. eta vs tors. theta energy: -90.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -996.831435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.831435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.831435 (E_RNA)
where:
Base-Base interactions energy: -690.434
where: short stacking energy: -284.612
Base-Backbone interact. energy: -0.663
local terms energy: -305.734569
where:
bonds (distance) C4'-P energy: -59.004
bonds (distance) P-C4' energy: -59.152
flat angles C4'-P-C4' energy: -55.648
flat angles P-C4'-P energy: -36.903
tors. eta vs tors. theta energy: -95.027
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: 5
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -929.655362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.655362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.655362 (E_RNA)
where:
Base-Base interactions energy: -636.541
where: short stacking energy: -252.458
Base-Backbone interact. energy: -3.214
local terms energy: -289.900675
where:
bonds (distance) C4'-P energy: -52.292
bonds (distance) P-C4' energy: -57.418
flat angles C4'-P-C4' energy: -59.087
flat angles P-C4'-P energy: -39.151
tors. eta vs tors. theta energy: -81.953
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: 2
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -854.072079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.072079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.072079 (E_RNA)
where:
Base-Base interactions energy: -585.642
where: short stacking energy: -265.670
Base-Backbone interact. energy: -1.541
local terms energy: -266.889473
where:
bonds (distance) C4'-P energy: -44.962
bonds (distance) P-C4' energy: -54.204
flat angles C4'-P-C4' energy: -57.521
flat angles P-C4'-P energy: -32.818
tors. eta vs tors. theta energy: -77.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -836.170552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.170552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.170552 (E_RNA)
where:
Base-Base interactions energy: -553.786
where: short stacking energy: -243.071
Base-Backbone interact. energy: -1.996
local terms energy: -280.388905
where:
bonds (distance) C4'-P energy: -39.486
bonds (distance) P-C4' energy: -56.940
flat angles C4'-P-C4' energy: -62.927
flat angles P-C4'-P energy: -44.568
tors. eta vs tors. theta energy: -76.468
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: 131
Temperature: 1.150000
Total energy: -706.063990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.063990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.063990 (E_RNA)
where:
Base-Base interactions energy: -480.582
where: short stacking energy: -206.644
Base-Backbone interact. energy: 2.233
local terms energy: -227.715449
where:
bonds (distance) C4'-P energy: -40.285
bonds (distance) P-C4' energy: -50.556
flat angles C4'-P-C4' energy: -49.555
flat angles P-C4'-P energy: -38.781
tors. eta vs tors. theta energy: -48.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -553.842411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.842411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.842411 (E_RNA)
where:
Base-Base interactions energy: -340.079
where: short stacking energy: -188.333
Base-Backbone interact. energy: -0.417
local terms energy: -213.346198
where:
bonds (distance) C4'-P energy: -31.359
bonds (distance) P-C4' energy: -48.204
flat angles C4'-P-C4' energy: -48.855
flat angles P-C4'-P energy: -39.797
tors. eta vs tors. theta energy: -45.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -494.044068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.044068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.044068 (E_RNA)
where:
Base-Base interactions energy: -304.998
where: short stacking energy: -153.864
Base-Backbone interact. energy: -0.571
local terms energy: -188.475633
where:
bonds (distance) C4'-P energy: -45.095
bonds (distance) P-C4' energy: -49.361
flat angles C4'-P-C4' energy: -49.195
flat angles P-C4'-P energy: -24.118
tors. eta vs tors. theta energy: -20.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -394.338204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.338204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.338204 (E_RNA)
where:
Base-Base interactions energy: -215.419
where: short stacking energy: -135.665
Base-Backbone interact. energy: 0.166
local terms energy: -179.085589
where:
bonds (distance) C4'-P energy: -43.533
bonds (distance) P-C4' energy: -46.221
flat angles C4'-P-C4' energy: -45.241
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -28.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -233.821296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.821296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.821296 (E_RNA)
where:
Base-Base interactions energy: -91.841
where: short stacking energy: -72.641
Base-Backbone interact. energy: -0.503
local terms energy: -141.476774
where:
bonds (distance) C4'-P energy: -49.596
bonds (distance) P-C4' energy: -49.361
flat angles C4'-P-C4' energy: -35.225
flat angles P-C4'-P energy: -23.579
tors. eta vs tors. theta energy: 16.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1030.192429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.192429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.192429 (E_RNA)
where:
Base-Base interactions energy: -711.428
where: short stacking energy: -286.761
Base-Backbone interact. energy: -0.022
local terms energy: -318.742374
where:
bonds (distance) C4'-P energy: -63.327
bonds (distance) P-C4' energy: -51.460
flat angles C4'-P-C4' energy: -69.749
flat angles P-C4'-P energy: -42.327
tors. eta vs tors. theta energy: -91.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -981.426336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.426336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.426336 (E_RNA)
where:
Base-Base interactions energy: -680.038
where: short stacking energy: -292.634
Base-Backbone interact. energy: 0.522
local terms energy: -301.909581
where:
bonds (distance) C4'-P energy: -54.178
bonds (distance) P-C4' energy: -54.266
flat angles C4'-P-C4' energy: -63.279
flat angles P-C4'-P energy: -42.171
tors. eta vs tors. theta energy: -88.015
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: 5
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -897.603913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.603913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.603913 (E_RNA)
where:
Base-Base interactions energy: -617.891
where: short stacking energy: -265.098
Base-Backbone interact. energy: -1.212
local terms energy: -278.500809
where:
bonds (distance) C4'-P energy: -55.080
bonds (distance) P-C4' energy: -49.543
flat angles C4'-P-C4' energy: -55.148
flat angles P-C4'-P energy: -43.338
tors. eta vs tors. theta energy: -75.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -856.114404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.114404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.114404 (E_RNA)
where:
Base-Base interactions energy: -588.092
where: short stacking energy: -265.555
Base-Backbone interact. energy: -0.770
local terms energy: -267.252843
where:
bonds (distance) C4'-P energy: -52.678
bonds (distance) P-C4' energy: -45.850
flat angles C4'-P-C4' energy: -55.714
flat angles P-C4'-P energy: -40.402
tors. eta vs tors. theta energy: -72.608
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: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -810.172359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.172359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.172359 (E_RNA)
where:
Base-Base interactions energy: -542.550
where: short stacking energy: -235.211
Base-Backbone interact. energy: -0.992
local terms energy: -266.630742
where:
bonds (distance) C4'-P energy: -54.355
bonds (distance) P-C4' energy: -51.066
flat angles C4'-P-C4' energy: -58.908
flat angles P-C4'-P energy: -43.005
tors. eta vs tors. theta energy: -59.296
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: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -692.571121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.571121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.571121 (E_RNA)
where:
Base-Base interactions energy: -478.271
where: short stacking energy: -194.887
Base-Backbone interact. energy: -0.682
local terms energy: -213.618624
where:
bonds (distance) C4'-P energy: -46.681
bonds (distance) P-C4' energy: -46.942
flat angles C4'-P-C4' energy: -44.536
flat angles P-C4'-P energy: -29.562
tors. eta vs tors. theta energy: -45.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -492.975719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.975719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.975719 (E_RNA)
where:
Base-Base interactions energy: -279.325
where: short stacking energy: -129.891
Base-Backbone interact. energy: 0.001
local terms energy: -213.651022
where:
bonds (distance) C4'-P energy: -46.453
bonds (distance) P-C4' energy: -57.577
flat angles C4'-P-C4' energy: -55.255
flat angles P-C4'-P energy: -34.056
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -512.055427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.055427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.055427 (E_RNA)
where:
Base-Base interactions energy: -305.065
where: short stacking energy: -161.880
Base-Backbone interact. energy: -1.436
local terms energy: -205.554610
where:
bonds (distance) C4'-P energy: -41.758
bonds (distance) P-C4' energy: -48.664
flat angles C4'-P-C4' energy: -46.464
flat angles P-C4'-P energy: -31.528
tors. eta vs tors. theta energy: -37.141
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: 9, replica: 1
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -453.884124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.884124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.884124 (E_RNA)
where:
Base-Base interactions energy: -270.170
where: short stacking energy: -122.021
Base-Backbone interact. energy: -1.302
local terms energy: -182.412361
where:
bonds (distance) C4'-P energy: -42.821
bonds (distance) P-C4' energy: -37.246
flat angles C4'-P-C4' energy: -58.657
flat angles P-C4'-P energy: -20.745
tors. eta vs tors. theta energy: -22.943
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: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -237.008699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.008699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.008699 (E_RNA)
where:
Base-Base interactions energy: -75.056
where: short stacking energy: -70.621
Base-Backbone interact. energy: 0.498
local terms energy: -162.450595
where:
bonds (distance) C4'-P energy: -45.245
bonds (distance) P-C4' energy: -52.007
flat angles C4'-P-C4' energy: -42.882
flat angles P-C4'-P energy: -24.796
tors. eta vs tors. theta energy: 2.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1022.057002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.057002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.057002 (E_RNA)
where:
Base-Base interactions energy: -707.395
where: short stacking energy: -307.959
Base-Backbone interact. energy: 0.141
local terms energy: -314.802912
where:
bonds (distance) C4'-P energy: -58.468
bonds (distance) P-C4' energy: -60.642
flat angles C4'-P-C4' energy: -57.652
flat angles P-C4'-P energy: -46.317
tors. eta vs tors. theta energy: -91.723
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: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -991.019025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.019025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.019025 (E_RNA)
where:
Base-Base interactions energy: -672.592
where: short stacking energy: -305.049
Base-Backbone interact. energy: -1.527
local terms energy: -316.899982
where:
bonds (distance) C4'-P energy: -50.166
bonds (distance) P-C4' energy: -58.529
flat angles C4'-P-C4' energy: -61.945
flat angles P-C4'-P energy: -55.655
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: 3, replica: 5
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -894.021779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.021779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.021779 (E_RNA)
where:
Base-Base interactions energy: -598.821
where: short stacking energy: -276.942
Base-Backbone interact. energy: -1.122
local terms energy: -294.078864
where:
bonds (distance) C4'-P energy: -60.230
bonds (distance) P-C4' energy: -57.417
flat angles C4'-P-C4' energy: -59.159
flat angles P-C4'-P energy: -39.192
tors. eta vs tors. theta energy: -78.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -866.192420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.192420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.192420 (E_RNA)
where:
Base-Base interactions energy: -572.457
where: short stacking energy: -262.906
Base-Backbone interact. energy: 0.797
local terms energy: -294.532283
where:
bonds (distance) C4'-P energy: -52.409
bonds (distance) P-C4' energy: -54.852
flat angles C4'-P-C4' energy: -64.741
flat angles P-C4'-P energy: -43.728
tors. eta vs tors. theta energy: -78.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -800.098291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.098291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.098291 (E_RNA)
where:
Base-Base interactions energy: -536.884
where: short stacking energy: -248.995
Base-Backbone interact. energy: -1.023
local terms energy: -262.190971
where:
bonds (distance) C4'-P energy: -39.793
bonds (distance) P-C4' energy: -53.613
flat angles C4'-P-C4' energy: -62.309
flat angles P-C4'-P energy: -38.126
tors. eta vs tors. theta energy: -68.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -730.270091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.270091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.270091 (E_RNA)
where:
Base-Base interactions energy: -482.672
where: short stacking energy: -220.736
Base-Backbone interact. energy: -1.080
local terms energy: -246.517546
where:
bonds (distance) C4'-P energy: -47.285
bonds (distance) P-C4' energy: -53.094
flat angles C4'-P-C4' energy: -52.788
flat angles P-C4'-P energy: -32.206
tors. eta vs tors. theta energy: -61.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -504.181773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -504.181773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -504.181773 (E_RNA)
where:
Base-Base interactions energy: -280.304
where: short stacking energy: -145.830
Base-Backbone interact. energy: -0.734
local terms energy: -223.143234
where:
bonds (distance) C4'-P energy: -48.020
bonds (distance) P-C4' energy: -51.767
flat angles C4'-P-C4' energy: -57.349
flat angles P-C4'-P energy: -35.933
tors. eta vs tors. theta energy: -30.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -503.014652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.014652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.014652 (E_RNA)
where:
Base-Base interactions energy: -313.506
where: short stacking energy: -153.857
Base-Backbone interact. energy: 0.139
local terms energy: -189.648430
where:
bonds (distance) C4'-P energy: -41.772
bonds (distance) P-C4' energy: -44.735
flat angles C4'-P-C4' energy: -50.794
flat angles P-C4'-P energy: -20.324
tors. eta vs tors. theta energy: -32.023
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: 1
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -484.774289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.774289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.774289 (E_RNA)
where:
Base-Base interactions energy: -293.259
where: short stacking energy: -142.129
Base-Backbone interact. energy: -0.391
local terms energy: -191.124597
where:
bonds (distance) C4'-P energy: -40.725
bonds (distance) P-C4' energy: -51.028
flat angles C4'-P-C4' energy: -46.769
flat angles P-C4'-P energy: -27.421
tors. eta vs tors. theta energy: -25.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -258.951758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.951758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.951758 (E_RNA)
where:
Base-Base interactions energy: -111.108
where: short stacking energy: -75.415
Base-Backbone interact. energy: -2.708
local terms energy: -145.135686
where:
bonds (distance) C4'-P energy: -37.821
bonds (distance) P-C4' energy: -51.816
flat angles C4'-P-C4' energy: -32.873
flat angles P-C4'-P energy: -32.540
tors. eta vs tors. theta energy: 9.915
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: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1037.908974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.908974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.908974 (E_RNA)
where:
Base-Base interactions energy: -713.223
where: short stacking energy: -291.891
Base-Backbone interact. energy: -2.185
local terms energy: -322.500505
where:
bonds (distance) C4'-P energy: -63.879
bonds (distance) P-C4' energy: -56.986
flat angles C4'-P-C4' energy: -64.394
flat angles P-C4'-P energy: -43.110
tors. eta vs tors. theta energy: -94.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1006.317474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.317474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.317474 (E_RNA)
where:
Base-Base interactions energy: -705.626
where: short stacking energy: -280.327
Base-Backbone interact. energy: -0.528
local terms energy: -300.164206
where:
bonds (distance) C4'-P energy: -55.921
bonds (distance) P-C4' energy: -56.720
flat angles C4'-P-C4' energy: -56.646
flat angles P-C4'-P energy: -44.813
tors. eta vs tors. theta energy: -86.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -899.433288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.433288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.433288 (E_RNA)
where:
Base-Base interactions energy: -607.441
where: short stacking energy: -261.878
Base-Backbone interact. energy: 3.863
local terms energy: -295.854919
where:
bonds (distance) C4'-P energy: -51.854
bonds (distance) P-C4' energy: -59.842
flat angles C4'-P-C4' energy: -56.914
flat angles P-C4'-P energy: -49.103
tors. eta vs tors. theta energy: -78.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -870.008308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.008308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.008308 (E_RNA)
where:
Base-Base interactions energy: -594.874
where: short stacking energy: -276.162
Base-Backbone interact. energy: -0.742
local terms energy: -274.392247
where:
bonds (distance) C4'-P energy: -41.002
bonds (distance) P-C4' energy: -52.805
flat angles C4'-P-C4' energy: -69.337
flat angles P-C4'-P energy: -36.255
tors. eta vs tors. theta energy: -74.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -787.074416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.074416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.074416 (E_RNA)
where:
Base-Base interactions energy: -522.208
where: short stacking energy: -247.739
Base-Backbone interact. energy: -0.778
local terms energy: -264.089318
where:
bonds (distance) C4'-P energy: -59.951
bonds (distance) P-C4' energy: -43.378
flat angles C4'-P-C4' energy: -59.715
flat angles P-C4'-P energy: -31.505
tors. eta vs tors. theta energy: -69.539
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: 6, replica: 3
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -676.867036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.867036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.867036 (E_RNA)
where:
Base-Base interactions energy: -442.803
where: short stacking energy: -194.063
Base-Backbone interact. energy: -2.200
local terms energy: -231.864349
where:
bonds (distance) C4'-P energy: -46.342
bonds (distance) P-C4' energy: -50.609
flat angles C4'-P-C4' energy: -48.580
flat angles P-C4'-P energy: -37.227
tors. eta vs tors. theta energy: -49.106
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: 134
Temperature: 1.200000
Total energy: -595.516161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.516161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.516161 (E_RNA)
where:
Base-Base interactions energy: -373.159
where: short stacking energy: -172.862
Base-Backbone interact. energy: 1.273
local terms energy: -223.629585
where:
bonds (distance) C4'-P energy: -52.316
bonds (distance) P-C4' energy: -55.839
flat angles C4'-P-C4' energy: -47.791
flat angles P-C4'-P energy: -23.002
tors. eta vs tors. theta energy: -44.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -509.337565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.337565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.337565 (E_RNA)
where:
Base-Base interactions energy: -314.986
where: short stacking energy: -162.638
Base-Backbone interact. energy: -0.654
local terms energy: -193.697739
where:
bonds (distance) C4'-P energy: -43.158
bonds (distance) P-C4' energy: -54.230
flat angles C4'-P-C4' energy: -35.580
flat angles P-C4'-P energy: -25.100
tors. eta vs tors. theta energy: -35.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -481.429081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.429081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.429081 (E_RNA)
where:
Base-Base interactions energy: -290.886
where: short stacking energy: -151.456
Base-Backbone interact. energy: 5.784
local terms energy: -196.326897
where:
bonds (distance) C4'-P energy: -44.712
bonds (distance) P-C4' energy: -49.101
flat angles C4'-P-C4' energy: -50.220
flat angles P-C4'-P energy: -23.975
tors. eta vs tors. theta energy: -28.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -270.311685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.311685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.311685 (E_RNA)
where:
Base-Base interactions energy: -124.892
where: short stacking energy: -83.451
Base-Backbone interact. energy: -1.513
local terms energy: -143.906849
where:
bonds (distance) C4'-P energy: -41.224
bonds (distance) P-C4' energy: -45.057
flat angles C4'-P-C4' energy: -35.616
flat angles P-C4'-P energy: -17.464
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1019.939857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.939857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.939857 (E_RNA)
where:
Base-Base interactions energy: -707.281
where: short stacking energy: -293.430
Base-Backbone interact. energy: -2.480
local terms energy: -310.178212
where:
bonds (distance) C4'-P energy: -56.555
bonds (distance) P-C4' energy: -58.840
flat angles C4'-P-C4' energy: -63.443
flat angles P-C4'-P energy: -42.931
tors. eta vs tors. theta energy: -88.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1013.628878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.628878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.628878 (E_RNA)
where:
Base-Base interactions energy: -700.658
where: short stacking energy: -296.065
Base-Backbone interact. energy: -0.387
local terms energy: -312.584415
where:
bonds (distance) C4'-P energy: -61.661
bonds (distance) P-C4' energy: -58.279
flat angles C4'-P-C4' energy: -60.847
flat angles P-C4'-P energy: -40.400
tors. eta vs tors. theta energy: -91.398
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: 5
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -934.906278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.906278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.906278 (E_RNA)
where:
Base-Base interactions energy: -654.253
where: short stacking energy: -257.269
Base-Backbone interact. energy: -0.919
local terms energy: -279.733773
where:
bonds (distance) C4'-P energy: -49.936
bonds (distance) P-C4' energy: -50.832
flat angles C4'-P-C4' energy: -60.954
flat angles P-C4'-P energy: -38.358
tors. eta vs tors. theta energy: -79.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -859.370031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.370031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.370031 (E_RNA)
where:
Base-Base interactions energy: -566.665
where: short stacking energy: -252.953
Base-Backbone interact. energy: -1.266
local terms energy: -291.438428
where:
bonds (distance) C4'-P energy: -51.146
bonds (distance) P-C4' energy: -55.730
flat angles C4'-P-C4' energy: -60.230
flat angles P-C4'-P energy: -42.069
tors. eta vs tors. theta energy: -82.263
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: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -834.322978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.322978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.322978 (E_RNA)
where:
Base-Base interactions energy: -564.623
where: short stacking energy: -258.273
Base-Backbone interact. energy: -1.065
local terms energy: -268.634339
where:
bonds (distance) C4'-P energy: -40.544
bonds (distance) P-C4' energy: -56.454
flat angles C4'-P-C4' energy: -57.453
flat angles P-C4'-P energy: -35.990
tors. eta vs tors. theta energy: -78.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -599.038346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.038346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.038346 (E_RNA)
where:
Base-Base interactions energy: -391.117
where: short stacking energy: -190.363
Base-Backbone interact. energy: -1.660
local terms energy: -206.261020
where:
bonds (distance) C4'-P energy: -45.719
bonds (distance) P-C4' energy: -47.502
flat angles C4'-P-C4' energy: -48.585
flat angles P-C4'-P energy: -18.298
tors. eta vs tors. theta energy: -46.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -664.669332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.669332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.669332 (E_RNA)
where:
Base-Base interactions energy: -449.992
where: short stacking energy: -186.146
Base-Backbone interact. energy: -1.672
local terms energy: -213.005080
where:
bonds (distance) C4'-P energy: -46.790
bonds (distance) P-C4' energy: -57.449
flat angles C4'-P-C4' energy: -43.987
flat angles P-C4'-P energy: -25.484
tors. eta vs tors. theta energy: -39.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -507.281526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.281526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.281526 (E_RNA)
where:
Base-Base interactions energy: -299.238
where: short stacking energy: -152.436
Base-Backbone interact. energy: -1.125
local terms energy: -206.918630
where:
bonds (distance) C4'-P energy: -37.450
bonds (distance) P-C4' energy: -48.019
flat angles C4'-P-C4' energy: -54.871
flat angles P-C4'-P energy: -35.878
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: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -429.286322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.286322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.286322 (E_RNA)
where:
Base-Base interactions energy: -249.438
where: short stacking energy: -124.842
Base-Backbone interact. energy: -0.166
local terms energy: -179.683022
where:
bonds (distance) C4'-P energy: -51.333
bonds (distance) P-C4' energy: -49.515
flat angles C4'-P-C4' energy: -46.338
flat angles P-C4'-P energy: -18.556
tors. eta vs tors. theta energy: -13.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -240.960107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.960107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.960107 (E_RNA)
where:
Base-Base interactions energy: -86.931
where: short stacking energy: -61.626
Base-Backbone interact. energy: -0.762
local terms energy: -153.266722
where:
bonds (distance) C4'-P energy: -34.076
bonds (distance) P-C4' energy: -60.729
flat angles C4'-P-C4' energy: -36.107
flat angles P-C4'-P energy: -30.033
tors. eta vs tors. theta energy: 7.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1020.188452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.188452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.188452 (E_RNA)
where:
Base-Base interactions energy: -696.854
where: short stacking energy: -285.377
Base-Backbone interact. energy: -0.579
local terms energy: -322.755382
where:
bonds (distance) C4'-P energy: -61.613
bonds (distance) P-C4' energy: -60.649
flat angles C4'-P-C4' energy: -65.336
flat angles P-C4'-P energy: -50.883
tors. eta vs tors. theta energy: -84.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -994.771998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.771998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.771998 (E_RNA)
where:
Base-Base interactions energy: -684.514
where: short stacking energy: -290.686
Base-Backbone interact. energy: 0.885
local terms energy: -311.142411
where:
bonds (distance) C4'-P energy: -59.322
bonds (distance) P-C4' energy: -51.823
flat angles C4'-P-C4' energy: -64.656
flat angles P-C4'-P energy: -43.316
tors. eta vs tors. theta energy: -92.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -915.196653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.196653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.196653 (E_RNA)
where:
Base-Base interactions energy: -636.291
where: short stacking energy: -263.652
Base-Backbone interact. energy: -2.923
local terms energy: -275.983159
where:
bonds (distance) C4'-P energy: -47.593
bonds (distance) P-C4' energy: -54.072
flat angles C4'-P-C4' energy: -58.680
flat angles P-C4'-P energy: -42.890
tors. eta vs tors. theta energy: -72.748
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: 2
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -824.397550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.397550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.397550 (E_RNA)
where:
Base-Base interactions energy: -557.897
where: short stacking energy: -244.537
Base-Backbone interact. energy: -1.599
local terms energy: -264.902168
where:
bonds (distance) C4'-P energy: -41.967
bonds (distance) P-C4' energy: -40.824
flat angles C4'-P-C4' energy: -60.900
flat angles P-C4'-P energy: -45.578
tors. eta vs tors. theta energy: -75.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -851.327797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.327797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.327797 (E_RNA)
where:
Base-Base interactions energy: -580.284
where: short stacking energy: -249.601
Base-Backbone interact. energy: -0.200
local terms energy: -270.844462
where:
bonds (distance) C4'-P energy: -60.071
bonds (distance) P-C4' energy: -55.861
flat angles C4'-P-C4' energy: -56.463
flat angles P-C4'-P energy: -30.159
tors. eta vs tors. theta energy: -68.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -595.839982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.839982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.839982 (E_RNA)
where:
Base-Base interactions energy: -387.898
where: short stacking energy: -158.631
Base-Backbone interact. energy: -1.338
local terms energy: -206.603520
where:
bonds (distance) C4'-P energy: -42.560
bonds (distance) P-C4' energy: -55.186
flat angles C4'-P-C4' energy: -45.989
flat angles P-C4'-P energy: -35.447
tors. eta vs tors. theta energy: -27.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -637.971615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.971615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.971615 (E_RNA)
where:
Base-Base interactions energy: -413.275
where: short stacking energy: -195.493
Base-Backbone interact. energy: -0.285
local terms energy: -224.411846
where:
bonds (distance) C4'-P energy: -51.198
bonds (distance) P-C4' energy: -43.003
flat angles C4'-P-C4' energy: -51.693
flat angles P-C4'-P energy: -32.264
tors. eta vs tors. theta energy: -46.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -509.115768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.115768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.115768 (E_RNA)
where:
Base-Base interactions energy: -314.650
where: short stacking energy: -148.328
Base-Backbone interact. energy: 0.241
local terms energy: -194.707381
where:
bonds (distance) C4'-P energy: -49.320
bonds (distance) P-C4' energy: -45.569
flat angles C4'-P-C4' energy: -48.301
flat angles P-C4'-P energy: -33.455
tors. eta vs tors. theta energy: -18.063
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: 9, replica: 9
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -475.221708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.221708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.221708 (E_RNA)
where:
Base-Base interactions energy: -267.687
where: short stacking energy: -140.851
Base-Backbone interact. energy: -0.299
local terms energy: -207.236185
where:
bonds (distance) C4'-P energy: -48.789
bonds (distance) P-C4' energy: -51.187
flat angles C4'-P-C4' energy: -49.749
flat angles P-C4'-P energy: -24.700
tors. eta vs tors. theta energy: -32.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -246.825109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.825109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.825109 (E_RNA)
where:
Base-Base interactions energy: -89.925
where: short stacking energy: -76.189
Base-Backbone interact. energy: -1.910
local terms energy: -154.990792
where:
bonds (distance) C4'-P energy: -42.399
bonds (distance) P-C4' energy: -56.292
flat angles C4'-P-C4' energy: -30.809
flat angles P-C4'-P energy: -25.154
tors. eta vs tors. theta energy: -0.337
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: 1, replica: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1042.547191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.547191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.547191 (E_RNA)
where:
Base-Base interactions energy: -727.169
where: short stacking energy: -297.266
Base-Backbone interact. energy: -1.011
local terms energy: -314.367829
where:
bonds (distance) C4'-P energy: -57.615
bonds (distance) P-C4' energy: -59.730
flat angles C4'-P-C4' energy: -62.754
flat angles P-C4'-P energy: -46.654
tors. eta vs tors. theta energy: -87.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -996.242838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.242838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.242838 (E_RNA)
where:
Base-Base interactions energy: -715.447
where: short stacking energy: -296.439
Base-Backbone interact. energy: -0.839
local terms energy: -279.956413
where:
bonds (distance) C4'-P energy: -45.519
bonds (distance) P-C4' energy: -52.896
flat angles C4'-P-C4' energy: -60.001
flat angles P-C4'-P energy: -37.852
tors. eta vs tors. theta energy: -83.688
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: 5
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -916.826651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.826651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.826651 (E_RNA)
where:
Base-Base interactions energy: -638.291
where: short stacking energy: -271.272
Base-Backbone interact. energy: -2.980
local terms energy: -275.554988
where:
bonds (distance) C4'-P energy: -47.732
bonds (distance) P-C4' energy: -50.794
flat angles C4'-P-C4' energy: -53.184
flat angles P-C4'-P energy: -44.733
tors. eta vs tors. theta energy: -79.112
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: 4, replica: 2
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -843.247941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.247941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.247941 (E_RNA)
where:
Base-Base interactions energy: -565.243
where: short stacking energy: -267.137
Base-Backbone interact. energy: -1.041
local terms energy: -276.964185
where:
bonds (distance) C4'-P energy: -48.054
bonds (distance) P-C4' energy: -53.531
flat angles C4'-P-C4' energy: -52.819
flat angles P-C4'-P energy: -42.609
tors. eta vs tors. theta energy: -79.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -825.798065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.798065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.798065 (E_RNA)
where:
Base-Base interactions energy: -554.525
where: short stacking energy: -250.093
Base-Backbone interact. energy: -0.348
local terms energy: -270.924825
where:
bonds (distance) C4'-P energy: -42.206
bonds (distance) P-C4' energy: -57.864
flat angles C4'-P-C4' energy: -58.201
flat angles P-C4'-P energy: -39.139
tors. eta vs tors. theta energy: -73.514
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: 137
Temperature: 1.150000
Total energy: -637.518380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.518380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.518380 (E_RNA)
where:
Base-Base interactions energy: -414.968
where: short stacking energy: -187.329
Base-Backbone interact. energy: 6.088
local terms energy: -228.638013
where:
bonds (distance) C4'-P energy: -52.657
bonds (distance) P-C4' energy: -53.218
flat angles C4'-P-C4' energy: -51.063
flat angles P-C4'-P energy: -29.014
tors. eta vs tors. theta energy: -42.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -598.200086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.200086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.200086 (E_RNA)
where:
Base-Base interactions energy: -383.601
where: short stacking energy: -178.569
Base-Backbone interact. energy: 2.041
local terms energy: -216.640186
where:
bonds (distance) C4'-P energy: -45.402
bonds (distance) P-C4' energy: -42.537
flat angles C4'-P-C4' energy: -55.241
flat angles P-C4'-P energy: -38.752
tors. eta vs tors. theta energy: -34.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -547.836425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.836425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.836425 (E_RNA)
where:
Base-Base interactions energy: -340.773
where: short stacking energy: -151.225
Base-Backbone interact. energy: -1.793
local terms energy: -205.271336
where:
bonds (distance) C4'-P energy: -49.096
bonds (distance) P-C4' energy: -39.159
flat angles C4'-P-C4' energy: -57.977
flat angles P-C4'-P energy: -32.404
tors. eta vs tors. theta energy: -26.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -483.053949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.053949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.053949 (E_RNA)
where:
Base-Base interactions energy: -276.501
where: short stacking energy: -139.022
Base-Backbone interact. energy: -3.528
local terms energy: -203.025020
where:
bonds (distance) C4'-P energy: -52.804
bonds (distance) P-C4' energy: -56.386
flat angles C4'-P-C4' energy: -41.277
flat angles P-C4'-P energy: -24.710
tors. eta vs tors. theta energy: -27.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -230.033706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.033706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.033706 (E_RNA)
where:
Base-Base interactions energy: -64.768
where: short stacking energy: -60.949
Base-Backbone interact. energy: 0.674
local terms energy: -165.940012
where:
bonds (distance) C4'-P energy: -50.241
bonds (distance) P-C4' energy: -53.218
flat angles C4'-P-C4' energy: -49.424
flat angles P-C4'-P energy: -23.155
tors. eta vs tors. theta energy: 10.097
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: 7
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1030.448492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.448492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.448492 (E_RNA)
where:
Base-Base interactions energy: -728.781
where: short stacking energy: -309.640
Base-Backbone interact. energy: 0.367
local terms energy: -302.034126
where:
bonds (distance) C4'-P energy: -58.165
bonds (distance) P-C4' energy: -53.854
flat angles C4'-P-C4' energy: -63.456
flat angles P-C4'-P energy: -41.585
tors. eta vs tors. theta energy: -84.974
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: 4
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -996.265274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.265274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.265274 (E_RNA)
where:
Base-Base interactions energy: -696.024
where: short stacking energy: -299.848
Base-Backbone interact. energy: -1.310
local terms energy: -298.930962
where:
bonds (distance) C4'-P energy: -44.177
bonds (distance) P-C4' energy: -60.179
flat angles C4'-P-C4' energy: -68.343
flat angles P-C4'-P energy: -40.874
tors. eta vs tors. theta energy: -85.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -908.986051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.986051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.986051 (E_RNA)
where:
Base-Base interactions energy: -624.477
where: short stacking energy: -264.568
Base-Backbone interact. energy: -2.325
local terms energy: -282.183939
where:
bonds (distance) C4'-P energy: -61.603
bonds (distance) P-C4' energy: -49.302
flat angles C4'-P-C4' energy: -57.523
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -72.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -839.560132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.560132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.560132 (E_RNA)
where:
Base-Base interactions energy: -545.525
where: short stacking energy: -241.160
Base-Backbone interact. energy: -1.278
local terms energy: -292.757711
where:
bonds (distance) C4'-P energy: -64.997
bonds (distance) P-C4' energy: -52.531
flat angles C4'-P-C4' energy: -60.496
flat angles P-C4'-P energy: -43.217
tors. eta vs tors. theta energy: -71.517
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: 8
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -790.068498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.068498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.068498 (E_RNA)
where:
Base-Base interactions energy: -528.553
where: short stacking energy: -243.156
Base-Backbone interact. energy: -1.037
local terms energy: -260.479051
where:
bonds (distance) C4'-P energy: -52.441
bonds (distance) P-C4' energy: -45.232
flat angles C4'-P-C4' energy: -61.057
flat angles P-C4'-P energy: -41.424
tors. eta vs tors. theta energy: -60.326
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: 3
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -644.553334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.553334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.553334 (E_RNA)
where:
Base-Base interactions energy: -409.938
where: short stacking energy: -196.197
Base-Backbone interact. energy: -1.345
local terms energy: -233.270579
where:
bonds (distance) C4'-P energy: -48.607
bonds (distance) P-C4' energy: -47.400
flat angles C4'-P-C4' energy: -53.553
flat angles P-C4'-P energy: -33.491
tors. eta vs tors. theta energy: -50.220
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: 10
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -601.250152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.250152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.250152 (E_RNA)
where:
Base-Base interactions energy: -392.788
where: short stacking energy: -186.789
Base-Backbone interact. energy: 1.815
local terms energy: -210.276910
where:
bonds (distance) C4'-P energy: -42.468
bonds (distance) P-C4' energy: -55.098
flat angles C4'-P-C4' energy: -38.300
flat angles P-C4'-P energy: -34.347
tors. eta vs tors. theta energy: -40.063
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: 1
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -486.238265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.238265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.238265 (E_RNA)
where:
Base-Base interactions energy: -298.165
where: short stacking energy: -132.500
Base-Backbone interact. energy: -0.701
local terms energy: -187.372012
where:
bonds (distance) C4'-P energy: -49.688
bonds (distance) P-C4' energy: -45.989
flat angles C4'-P-C4' energy: -42.747
flat angles P-C4'-P energy: -28.011
tors. eta vs tors. theta energy: -20.937
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: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -436.885796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.885796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.885796 (E_RNA)
where:
Base-Base interactions energy: -260.025
where: short stacking energy: -143.216
Base-Backbone interact. energy: -2.467
local terms energy: -174.394483
where:
bonds (distance) C4'-P energy: -39.850
bonds (distance) P-C4' energy: -51.461
flat angles C4'-P-C4' energy: -39.035
flat angles P-C4'-P energy: -25.623
tors. eta vs tors. theta energy: -18.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -231.821212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.821212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.821212 (E_RNA)
where:
Base-Base interactions energy: -97.079
where: short stacking energy: -68.167
Base-Backbone interact. energy: 3.849
local terms energy: -138.591351
where:
bonds (distance) C4'-P energy: -45.303
bonds (distance) P-C4' energy: -36.701
flat angles C4'-P-C4' energy: -38.120
flat angles P-C4'-P energy: -26.198
tors. eta vs tors. theta energy: 7.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1033.104009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.104009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.104009 (E_RNA)
where:
Base-Base interactions energy: -726.414
where: short stacking energy: -292.036
Base-Backbone interact. energy: -0.224
local terms energy: -306.465786
where:
bonds (distance) C4'-P energy: -51.403
bonds (distance) P-C4' energy: -61.543
flat angles C4'-P-C4' energy: -56.871
flat angles P-C4'-P energy: -48.498
tors. eta vs tors. theta energy: -88.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1007.344537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.344537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.344537 (E_RNA)
where:
Base-Base interactions energy: -702.259
where: short stacking energy: -280.289
Base-Backbone interact. energy: -2.465
local terms energy: -302.620451
where:
bonds (distance) C4'-P energy: -51.106
bonds (distance) P-C4' energy: -55.123
flat angles C4'-P-C4' energy: -70.373
flat angles P-C4'-P energy: -47.022
tors. eta vs tors. theta energy: -78.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -915.799007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.799007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.799007 (E_RNA)
where:
Base-Base interactions energy: -623.671
where: short stacking energy: -270.081
Base-Backbone interact. energy: -1.392
local terms energy: -290.736263
where:
bonds (distance) C4'-P energy: -58.390
bonds (distance) P-C4' energy: -56.783
flat angles C4'-P-C4' energy: -64.220
flat angles P-C4'-P energy: -33.705
tors. eta vs tors. theta energy: -77.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -829.702002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.702002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.702002 (E_RNA)
where:
Base-Base interactions energy: -555.575
where: short stacking energy: -252.021
Base-Backbone interact. energy: -1.167
local terms energy: -272.959772
where:
bonds (distance) C4'-P energy: -52.901
bonds (distance) P-C4' energy: -56.763
flat angles C4'-P-C4' energy: -56.867
flat angles P-C4'-P energy: -35.274
tors. eta vs tors. theta energy: -71.155
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: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -806.898128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.898128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.898128 (E_RNA)
where:
Base-Base interactions energy: -550.348
where: short stacking energy: -241.226
Base-Backbone interact. energy: -2.357
local terms energy: -254.192490
where:
bonds (distance) C4'-P energy: -51.468
bonds (distance) P-C4' energy: -42.288
flat angles C4'-P-C4' energy: -55.962
flat angles P-C4'-P energy: -33.413
tors. eta vs tors. theta energy: -71.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -679.645067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.645067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.645067 (E_RNA)
where:
Base-Base interactions energy: -438.149
where: short stacking energy: -195.643
Base-Backbone interact. energy: -1.062
local terms energy: -240.433432
where:
bonds (distance) C4'-P energy: -54.386
bonds (distance) P-C4' energy: -55.435
flat angles C4'-P-C4' energy: -48.570
flat angles P-C4'-P energy: -32.988
tors. eta vs tors. theta energy: -49.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -620.645936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.645936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.645936 (E_RNA)
where:
Base-Base interactions energy: -406.883
where: short stacking energy: -194.584
Base-Backbone interact. energy: -0.955
local terms energy: -212.807886
where:
bonds (distance) C4'-P energy: -46.331
bonds (distance) P-C4' energy: -46.093
flat angles C4'-P-C4' energy: -40.372
flat angles P-C4'-P energy: -29.014
tors. eta vs tors. theta energy: -50.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -451.160624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.160624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.160624 (E_RNA)
where:
Base-Base interactions energy: -276.528
where: short stacking energy: -131.682
Base-Backbone interact. energy: 0.863
local terms energy: -175.495302
where:
bonds (distance) C4'-P energy: -43.059
bonds (distance) P-C4' energy: -42.900
flat angles C4'-P-C4' energy: -49.396
flat angles P-C4'-P energy: -26.631
tors. eta vs tors. theta energy: -13.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -484.441007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.441007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.441007 (E_RNA)
where:
Base-Base interactions energy: -289.626
where: short stacking energy: -141.836
Base-Backbone interact. energy: -0.889
local terms energy: -193.925834
where:
bonds (distance) C4'-P energy: -45.130
bonds (distance) P-C4' energy: -44.326
flat angles C4'-P-C4' energy: -47.299
flat angles P-C4'-P energy: -30.254
tors. eta vs tors. theta energy: -26.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -256.598827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.598827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.598827 (E_RNA)
where:
Base-Base interactions energy: -92.077
where: short stacking energy: -92.367
Base-Backbone interact. energy: 1.459
local terms energy: -165.981224
where:
bonds (distance) C4'-P energy: -43.038
bonds (distance) P-C4' energy: -56.546
flat angles C4'-P-C4' energy: -35.188
flat angles P-C4'-P energy: -25.734
tors. eta vs tors. theta energy: -5.476
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: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1018.605281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.605281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.605281 (E_RNA)
where:
Base-Base interactions energy: -705.804
where: short stacking energy: -307.193
Base-Backbone interact. energy: -0.146
local terms energy: -312.654775
where:
bonds (distance) C4'-P energy: -53.614
bonds (distance) P-C4' energy: -46.115
flat angles C4'-P-C4' energy: -73.076
flat angles P-C4'-P energy: -47.265
tors. eta vs tors. theta energy: -92.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1021.065950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.065950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.065950 (E_RNA)
where:
Base-Base interactions energy: -713.415
where: short stacking energy: -308.024
Base-Backbone interact. energy: -0.470
local terms energy: -307.181282
where:
bonds (distance) C4'-P energy: -55.284
bonds (distance) P-C4' energy: -49.254
flat angles C4'-P-C4' energy: -64.615
flat angles P-C4'-P energy: -47.266
tors. eta vs tors. theta energy: -90.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -920.023159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.023159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.023159 (E_RNA)
where:
Base-Base interactions energy: -618.884
where: short stacking energy: -276.342
Base-Backbone interact. energy: -0.546
local terms energy: -300.592893
where:
bonds (distance) C4'-P energy: -49.341
bonds (distance) P-C4' energy: -60.719
flat angles C4'-P-C4' energy: -65.371
flat angles P-C4'-P energy: -41.862
tors. eta vs tors. theta energy: -83.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -842.489951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.489951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.489951 (E_RNA)
where:
Base-Base interactions energy: -555.111
where: short stacking energy: -253.884
Base-Backbone interact. energy: -0.508
local terms energy: -286.871045
where:
bonds (distance) C4'-P energy: -46.900
bonds (distance) P-C4' energy: -59.536
flat angles C4'-P-C4' energy: -64.329
flat angles P-C4'-P energy: -41.809
tors. eta vs tors. theta energy: -74.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -790.589110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.589110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.589110 (E_RNA)
where:
Base-Base interactions energy: -530.886
where: short stacking energy: -249.743
Base-Backbone interact. energy: -1.092
local terms energy: -258.611288
where:
bonds (distance) C4'-P energy: -40.663
bonds (distance) P-C4' energy: -54.971
flat angles C4'-P-C4' energy: -58.993
flat angles P-C4'-P energy: -36.304
tors. eta vs tors. theta energy: -67.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -697.884424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.884424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.884424 (E_RNA)
where:
Base-Base interactions energy: -470.627
where: short stacking energy: -219.319
Base-Backbone interact. energy: -0.682
local terms energy: -226.575279
where:
bonds (distance) C4'-P energy: -43.568
bonds (distance) P-C4' energy: -52.578
flat angles C4'-P-C4' energy: -46.830
flat angles P-C4'-P energy: -32.948
tors. eta vs tors. theta energy: -50.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -652.872626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.872626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.872626 (E_RNA)
where:
Base-Base interactions energy: -409.319
where: short stacking energy: -202.383
Base-Backbone interact. energy: -0.247
local terms energy: -243.307040
where:
bonds (distance) C4'-P energy: -45.166
bonds (distance) P-C4' energy: -49.675
flat angles C4'-P-C4' energy: -53.731
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -56.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -482.485842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.485842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.485842 (E_RNA)
where:
Base-Base interactions energy: -282.534
where: short stacking energy: -158.568
Base-Backbone interact. energy: 0.527
local terms energy: -200.478701
where:
bonds (distance) C4'-P energy: -39.666
bonds (distance) P-C4' energy: -37.071
flat angles C4'-P-C4' energy: -48.616
flat angles P-C4'-P energy: -33.816
tors. eta vs tors. theta energy: -41.309
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: 140
Temperature: 1.300000
Total energy: -481.612825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.612825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.612825 (E_RNA)
where:
Base-Base interactions energy: -272.190
where: short stacking energy: -137.299
Base-Backbone interact. energy: -1.180
local terms energy: -208.242336
where:
bonds (distance) C4'-P energy: -52.149
bonds (distance) P-C4' energy: -46.806
flat angles C4'-P-C4' energy: -46.543
flat angles P-C4'-P energy: -39.544
tors. eta vs tors. theta energy: -23.200
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: 10, replica: 6
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -246.822994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.822994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.822994 (E_RNA)
where:
Base-Base interactions energy: -103.532
where: short stacking energy: -72.165
Base-Backbone interact. energy: -1.547
local terms energy: -141.743428
where:
bonds (distance) C4'-P energy: -43.169
bonds (distance) P-C4' energy: -42.263
flat angles C4'-P-C4' energy: -41.521
flat angles P-C4'-P energy: -35.936
tors. eta vs tors. theta energy: 21.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1019.507670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.507670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.507670 (E_RNA)
where:
Base-Base interactions energy: -715.390
where: short stacking energy: -297.276
Base-Backbone interact. energy: 1.722
local terms energy: -305.839317
where:
bonds (distance) C4'-P energy: -52.440
bonds (distance) P-C4' energy: -58.904
flat angles C4'-P-C4' energy: -67.969
flat angles P-C4'-P energy: -39.648
tors. eta vs tors. theta energy: -86.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -1018.228371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.228371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.228371 (E_RNA)
where:
Base-Base interactions energy: -688.059
where: short stacking energy: -295.853
Base-Backbone interact. energy: -1.012
local terms energy: -329.157553
where:
bonds (distance) C4'-P energy: -59.884
bonds (distance) P-C4' energy: -65.950
flat angles C4'-P-C4' energy: -63.341
flat angles P-C4'-P energy: -47.075
tors. eta vs tors. theta energy: -92.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -891.968926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.968926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.968926 (E_RNA)
where:
Base-Base interactions energy: -601.884
where: short stacking energy: -271.075
Base-Backbone interact. energy: -1.100
local terms energy: -288.984762
where:
bonds (distance) C4'-P energy: -54.491
bonds (distance) P-C4' energy: -57.824
flat angles C4'-P-C4' energy: -67.143
flat angles P-C4'-P energy: -32.320
tors. eta vs tors. theta energy: -77.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -831.903193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.903193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.903193 (E_RNA)
where:
Base-Base interactions energy: -555.424
where: short stacking energy: -256.735
Base-Backbone interact. energy: 0.817
local terms energy: -277.296887
where:
bonds (distance) C4'-P energy: -49.205
bonds (distance) P-C4' energy: -48.129
flat angles C4'-P-C4' energy: -62.663
flat angles P-C4'-P energy: -45.946
tors. eta vs tors. theta energy: -71.354
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: 2
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -755.005494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.005494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.005494 (E_RNA)
where:
Base-Base interactions energy: -488.114
where: short stacking energy: -214.243
Base-Backbone interact. energy: -1.217
local terms energy: -265.675000
where:
bonds (distance) C4'-P energy: -44.558
bonds (distance) P-C4' energy: -54.396
flat angles C4'-P-C4' energy: -59.832
flat angles P-C4'-P energy: -42.140
tors. eta vs tors. theta energy: -64.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -672.312700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.312700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.312700 (E_RNA)
where:
Base-Base interactions energy: -437.499
where: short stacking energy: -194.512
Base-Backbone interact. energy: 1.547
local terms energy: -236.360274
where:
bonds (distance) C4'-P energy: -51.036
bonds (distance) P-C4' energy: -41.899
flat angles C4'-P-C4' energy: -56.059
flat angles P-C4'-P energy: -37.346
tors. eta vs tors. theta energy: -50.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -695.126915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.126915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.126915 (E_RNA)
where:
Base-Base interactions energy: -441.762
where: short stacking energy: -217.315
Base-Backbone interact. energy: -2.705
local terms energy: -250.659668
where:
bonds (distance) C4'-P energy: -52.291
bonds (distance) P-C4' energy: -47.156
flat angles C4'-P-C4' energy: -51.376
flat angles P-C4'-P energy: -39.858
tors. eta vs tors. theta energy: -59.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -513.344156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.344156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.344156 (E_RNA)
where:
Base-Base interactions energy: -316.491
where: short stacking energy: -149.880
Base-Backbone interact. energy: 1.079
local terms energy: -197.932466
where:
bonds (distance) C4'-P energy: -43.507
bonds (distance) P-C4' energy: -46.691
flat angles C4'-P-C4' energy: -50.088
flat angles P-C4'-P energy: -26.373
tors. eta vs tors. theta energy: -31.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -494.910522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.910522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.910522 (E_RNA)
where:
Base-Base interactions energy: -298.204
where: short stacking energy: -150.045
Base-Backbone interact. energy: 0.452
local terms energy: -197.158372
where:
bonds (distance) C4'-P energy: -46.498
bonds (distance) P-C4' energy: -51.327
flat angles C4'-P-C4' energy: -47.105
flat angles P-C4'-P energy: -27.921
tors. eta vs tors. theta energy: -24.308
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: 6
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -240.806393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.806393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.806393 (E_RNA)
where:
Base-Base interactions energy: -81.690
where: short stacking energy: -56.263
Base-Backbone interact. energy: -0.234
local terms energy: -158.882146
where:
bonds (distance) C4'-P energy: -45.184
bonds (distance) P-C4' energy: -49.106
flat angles C4'-P-C4' energy: -51.114
flat angles P-C4'-P energy: -24.437
tors. eta vs tors. theta energy: 10.959
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: 142
Temperature: 0.900000
Total energy: -1035.134572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.134572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.134572 (E_RNA)
where:
Base-Base interactions energy: -709.670
where: short stacking energy: -308.749
Base-Backbone interact. energy: -0.719
local terms energy: -324.745517
where:
bonds (distance) C4'-P energy: -59.516
bonds (distance) P-C4' energy: -59.192
flat angles C4'-P-C4' energy: -66.761
flat angles P-C4'-P energy: -48.198
tors. eta vs tors. theta energy: -91.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1012.519703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.519703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.519703 (E_RNA)
where:
Base-Base interactions energy: -705.926
where: short stacking energy: -302.699
Base-Backbone interact. energy: -0.767
local terms energy: -305.826155
where:
bonds (distance) C4'-P energy: -48.549
bonds (distance) P-C4' energy: -60.247
flat angles C4'-P-C4' energy: -62.149
flat angles P-C4'-P energy: -46.662
tors. eta vs tors. theta energy: -88.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -899.433477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.433477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.433477 (E_RNA)
where:
Base-Base interactions energy: -624.972
where: short stacking energy: -265.986
Base-Backbone interact. energy: -1.572
local terms energy: -272.889254
where:
bonds (distance) C4'-P energy: -47.127
bonds (distance) P-C4' energy: -56.256
flat angles C4'-P-C4' energy: -57.454
flat angles P-C4'-P energy: -34.595
tors. eta vs tors. theta energy: -77.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -827.398996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.398996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.398996 (E_RNA)
where:
Base-Base interactions energy: -541.690
where: short stacking energy: -262.379
Base-Backbone interact. energy: -0.918
local terms energy: -284.790803
where:
bonds (distance) C4'-P energy: -52.666
bonds (distance) P-C4' energy: -57.510
flat angles C4'-P-C4' energy: -55.310
flat angles P-C4'-P energy: -44.642
tors. eta vs tors. theta energy: -74.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -753.372383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.372383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.372383 (E_RNA)
where:
Base-Base interactions energy: -490.367
where: short stacking energy: -219.998
Base-Backbone interact. energy: 0.449
local terms energy: -263.454265
where:
bonds (distance) C4'-P energy: -43.839
bonds (distance) P-C4' energy: -55.496
flat angles C4'-P-C4' energy: -54.204
flat angles P-C4'-P energy: -37.708
tors. eta vs tors. theta energy: -72.207
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: 3
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -653.942040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.942040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.942040 (E_RNA)
where:
Base-Base interactions energy: -430.818
where: short stacking energy: -194.847
Base-Backbone interact. energy: -1.171
local terms energy: -221.952584
where:
bonds (distance) C4'-P energy: -49.340
bonds (distance) P-C4' energy: -46.581
flat angles C4'-P-C4' energy: -51.681
flat angles P-C4'-P energy: -32.723
tors. eta vs tors. theta energy: -41.629
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: 142
Temperature: 1.200000
Total energy: -679.905275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.905275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.905275 (E_RNA)
where:
Base-Base interactions energy: -449.021
where: short stacking energy: -213.995
Base-Backbone interact. energy: -1.011
local terms energy: -229.873355
where:
bonds (distance) C4'-P energy: -46.978
bonds (distance) P-C4' energy: -44.292
flat angles C4'-P-C4' energy: -52.798
flat angles P-C4'-P energy: -37.014
tors. eta vs tors. theta energy: -48.791
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: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -497.170737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.170737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.170737 (E_RNA)
where:
Base-Base interactions energy: -302.612
where: short stacking energy: -153.765
Base-Backbone interact. energy: 0.398
local terms energy: -194.956615
where:
bonds (distance) C4'-P energy: -49.188
bonds (distance) P-C4' energy: -45.389
flat angles C4'-P-C4' energy: -49.261
flat angles P-C4'-P energy: -21.551
tors. eta vs tors. theta energy: -29.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -505.186700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -505.186700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -505.186700 (E_RNA)
where:
Base-Base interactions energy: -315.170
where: short stacking energy: -144.077
Base-Backbone interact. energy: -1.276
local terms energy: -188.739830
where:
bonds (distance) C4'-P energy: -55.067
bonds (distance) P-C4' energy: -39.585
flat angles C4'-P-C4' energy: -41.895
flat angles P-C4'-P energy: -28.167
tors. eta vs tors. theta energy: -24.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -250.673026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.673026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.673026 (E_RNA)
where:
Base-Base interactions energy: -103.308
where: short stacking energy: -65.787
Base-Backbone interact. energy: -1.799
local terms energy: -145.566129
where:
bonds (distance) C4'-P energy: -50.476
bonds (distance) P-C4' energy: -42.238
flat angles C4'-P-C4' energy: -37.046
flat angles P-C4'-P energy: -23.927
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: 143
Temperature: 0.900000
Total energy: -1027.337039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.337039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.337039 (E_RNA)
where:
Base-Base interactions energy: -708.924
where: short stacking energy: -309.349
Base-Backbone interact. energy: -0.487
local terms energy: -317.925419
where:
bonds (distance) C4'-P energy: -51.027
bonds (distance) P-C4' energy: -58.179
flat angles C4'-P-C4' energy: -67.472
flat angles P-C4'-P energy: -47.433
tors. eta vs tors. theta energy: -93.815
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: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1004.860057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.860057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.860057 (E_RNA)
where:
Base-Base interactions energy: -708.498
where: short stacking energy: -291.605
Base-Backbone interact. energy: -0.354
local terms energy: -296.008203
where:
bonds (distance) C4'-P energy: -57.817
bonds (distance) P-C4' energy: -60.548
flat angles C4'-P-C4' energy: -52.672
flat angles P-C4'-P energy: -34.796
tors. eta vs tors. theta energy: -90.175
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: 5
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -903.950975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.950975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.950975 (E_RNA)
where:
Base-Base interactions energy: -617.596
where: short stacking energy: -256.716
Base-Backbone interact. energy: -2.841
local terms energy: -283.514198
where:
bonds (distance) C4'-P energy: -46.196
bonds (distance) P-C4' energy: -55.471
flat angles C4'-P-C4' energy: -63.292
flat angles P-C4'-P energy: -38.276
tors. eta vs tors. theta energy: -80.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -838.491481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.491481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.491481 (E_RNA)
where:
Base-Base interactions energy: -555.290
where: short stacking energy: -264.722
Base-Backbone interact. energy: -2.012
local terms energy: -281.189147
where:
bonds (distance) C4'-P energy: -52.146
bonds (distance) P-C4' energy: -56.173
flat angles C4'-P-C4' energy: -59.783
flat angles P-C4'-P energy: -36.888
tors. eta vs tors. theta energy: -76.199
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: 2
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -768.761898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.761898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.761898 (E_RNA)
where:
Base-Base interactions energy: -501.089
where: short stacking energy: -227.576
Base-Backbone interact. energy: -0.134
local terms energy: -267.538716
where:
bonds (distance) C4'-P energy: -42.971
bonds (distance) P-C4' energy: -51.967
flat angles C4'-P-C4' energy: -59.975
flat angles P-C4'-P energy: -42.182
tors. eta vs tors. theta energy: -70.444
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: 10
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -695.846273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.846273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.846273 (E_RNA)
where:
Base-Base interactions energy: -464.105
where: short stacking energy: -204.044
Base-Backbone interact. energy: -1.173
local terms energy: -230.567641
where:
bonds (distance) C4'-P energy: -49.469
bonds (distance) P-C4' energy: -51.802
flat angles C4'-P-C4' energy: -43.239
flat angles P-C4'-P energy: -35.373
tors. eta vs tors. theta energy: -50.685
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: 3
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -655.925744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.925744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.925744 (E_RNA)
where:
Base-Base interactions energy: -419.846
where: short stacking energy: -202.822
Base-Backbone interact. energy: 0.492
local terms energy: -236.571419
where:
bonds (distance) C4'-P energy: -54.548
bonds (distance) P-C4' energy: -42.520
flat angles C4'-P-C4' energy: -55.853
flat angles P-C4'-P energy: -33.668
tors. eta vs tors. theta energy: -49.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -518.275484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.275484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.275484 (E_RNA)
where:
Base-Base interactions energy: -317.611
where: short stacking energy: -164.298
Base-Backbone interact. energy: -1.401
local terms energy: -199.263120
where:
bonds (distance) C4'-P energy: -51.093
bonds (distance) P-C4' energy: -38.797
flat angles C4'-P-C4' energy: -49.449
flat angles P-C4'-P energy: -20.700
tors. eta vs tors. theta energy: -39.223
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: 9, replica: 9
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -501.285244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.285244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.285244 (E_RNA)
where:
Base-Base interactions energy: -310.429
where: short stacking energy: -154.222
Base-Backbone interact. energy: -1.361
local terms energy: -189.495832
where:
bonds (distance) C4'-P energy: -45.867
bonds (distance) P-C4' energy: -53.177
flat angles C4'-P-C4' energy: -37.693
flat angles P-C4'-P energy: -30.952
tors. eta vs tors. theta energy: -21.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -258.626083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.626083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.626083 (E_RNA)
where:
Base-Base interactions energy: -86.216
where: short stacking energy: -78.439
Base-Backbone interact. energy: -0.429
local terms energy: -171.980635
where:
bonds (distance) C4'-P energy: -55.596
bonds (distance) P-C4' energy: -50.260
flat angles C4'-P-C4' energy: -35.045
flat angles P-C4'-P energy: -27.188
tors. eta vs tors. theta energy: -3.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1027.281158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.281158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.281158 (E_RNA)
where:
Base-Base interactions energy: -697.401
where: short stacking energy: -308.795
Base-Backbone interact. energy: -1.518
local terms energy: -328.361785
where:
bonds (distance) C4'-P energy: -55.913
bonds (distance) P-C4' energy: -57.842
flat angles C4'-P-C4' energy: -64.169
flat angles P-C4'-P energy: -52.145
tors. eta vs tors. theta energy: -98.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1007.502709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.502709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.502709 (E_RNA)
where:
Base-Base interactions energy: -705.115
where: short stacking energy: -297.735
Base-Backbone interact. energy: -0.555
local terms energy: -301.832422
where:
bonds (distance) C4'-P energy: -55.408
bonds (distance) P-C4' energy: -52.130
flat angles C4'-P-C4' energy: -62.033
flat angles P-C4'-P energy: -45.434
tors. eta vs tors. theta energy: -86.827
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: 5
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -928.440240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.440240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.440240 (E_RNA)
where:
Base-Base interactions energy: -648.107
where: short stacking energy: -267.493
Base-Backbone interact. energy: -1.557
local terms energy: -278.776204
where:
bonds (distance) C4'-P energy: -53.400
bonds (distance) P-C4' energy: -46.958
flat angles C4'-P-C4' energy: -66.113
flat angles P-C4'-P energy: -30.351
tors. eta vs tors. theta energy: -81.955
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: 4, replica: 8
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -831.846918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.846918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.846918 (E_RNA)
where:
Base-Base interactions energy: -555.842
where: short stacking energy: -272.444
Base-Backbone interact. energy: 0.083
local terms energy: -276.087753
where:
bonds (distance) C4'-P energy: -56.923
bonds (distance) P-C4' energy: -52.299
flat angles C4'-P-C4' energy: -54.356
flat angles P-C4'-P energy: -33.014
tors. eta vs tors. theta energy: -79.495
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: 2
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -795.593683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.593683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.593683 (E_RNA)
where:
Base-Base interactions energy: -550.026
where: short stacking energy: -248.068
Base-Backbone interact. energy: -0.325
local terms energy: -245.242964
where:
bonds (distance) C4'-P energy: -50.797
bonds (distance) P-C4' energy: -51.217
flat angles C4'-P-C4' energy: -34.417
flat angles P-C4'-P energy: -35.610
tors. eta vs tors. theta energy: -73.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -655.566006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.566006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.566006 (E_RNA)
where:
Base-Base interactions energy: -424.198
where: short stacking energy: -202.552
Base-Backbone interact. energy: -0.707
local terms energy: -230.661418
where:
bonds (distance) C4'-P energy: -34.470
bonds (distance) P-C4' energy: -54.613
flat angles C4'-P-C4' energy: -55.141
flat angles P-C4'-P energy: -35.250
tors. eta vs tors. theta energy: -51.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -675.835366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.835366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.835366 (E_RNA)
where:
Base-Base interactions energy: -434.604
where: short stacking energy: -185.170
Base-Backbone interact. energy: -0.126
local terms energy: -241.105413
where:
bonds (distance) C4'-P energy: -53.377
bonds (distance) P-C4' energy: -49.892
flat angles C4'-P-C4' energy: -51.073
flat angles P-C4'-P energy: -36.159
tors. eta vs tors. theta energy: -50.605
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: 144
Temperature: 1.250000
Total energy: -465.283808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.283808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.283808 (E_RNA)
where:
Base-Base interactions energy: -286.645
where: short stacking energy: -147.268
Base-Backbone interact. energy: -0.858
local terms energy: -177.781426
where:
bonds (distance) C4'-P energy: -35.179
bonds (distance) P-C4' energy: -41.576
flat angles C4'-P-C4' energy: -55.502
flat angles P-C4'-P energy: -29.556
tors. eta vs tors. theta energy: -15.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -446.924257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.924257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.924257 (E_RNA)
where:
Base-Base interactions energy: -272.004
where: short stacking energy: -124.817
Base-Backbone interact. energy: -0.532
local terms energy: -174.387671
where:
bonds (distance) C4'-P energy: -50.075
bonds (distance) P-C4' energy: -46.754
flat angles C4'-P-C4' energy: -42.349
flat angles P-C4'-P energy: -24.163
tors. eta vs tors. theta energy: -11.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -249.459445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.459445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.459445 (E_RNA)
where:
Base-Base interactions energy: -113.582
where: short stacking energy: -74.918
Base-Backbone interact. energy: 0.792
local terms energy: -136.669185
where:
bonds (distance) C4'-P energy: -41.787
bonds (distance) P-C4' energy: -46.797
flat angles C4'-P-C4' energy: -31.923
flat angles P-C4'-P energy: -20.114
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: 7
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1030.498717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.498717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.498717 (E_RNA)
where:
Base-Base interactions energy: -717.272
where: short stacking energy: -304.807
Base-Backbone interact. energy: -1.267
local terms energy: -311.959776
where:
bonds (distance) C4'-P energy: -52.159
bonds (distance) P-C4' energy: -56.538
flat angles C4'-P-C4' energy: -66.051
flat angles P-C4'-P energy: -43.721
tors. eta vs tors. theta energy: -93.490
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: 4
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1002.091428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.091428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.091428 (E_RNA)
where:
Base-Base interactions energy: -703.961
where: short stacking energy: -301.767
Base-Backbone interact. energy: -0.677
local terms energy: -297.454045
where:
bonds (distance) C4'-P energy: -54.435
bonds (distance) P-C4' energy: -60.756
flat angles C4'-P-C4' energy: -60.404
flat angles P-C4'-P energy: -35.519
tors. eta vs tors. theta energy: -86.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -906.450175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.450175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.450175 (E_RNA)
where:
Base-Base interactions energy: -620.329
where: short stacking energy: -263.344
Base-Backbone interact. energy: -1.594
local terms energy: -284.528058
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -53.404
flat angles C4'-P-C4' energy: -62.721
flat angles P-C4'-P energy: -41.872
tors. eta vs tors. theta energy: -70.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -803.565319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.565319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.565319 (E_RNA)
where:
Base-Base interactions energy: -540.486
where: short stacking energy: -245.511
Base-Backbone interact. energy: -1.161
local terms energy: -261.917711
where:
bonds (distance) C4'-P energy: -48.224
bonds (distance) P-C4' energy: -51.450
flat angles C4'-P-C4' energy: -53.348
flat angles P-C4'-P energy: -38.873
tors. eta vs tors. theta energy: -70.023
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: 8
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -796.452572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.452572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.452572 (E_RNA)
where:
Base-Base interactions energy: -530.080
where: short stacking energy: -255.913
Base-Backbone interact. energy: -0.409
local terms energy: -265.963583
where:
bonds (distance) C4'-P energy: -48.067
bonds (distance) P-C4' energy: -41.894
flat angles C4'-P-C4' energy: -59.758
flat angles P-C4'-P energy: -40.153
tors. eta vs tors. theta energy: -76.091
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: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -686.347159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.347159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.347159 (E_RNA)
where:
Base-Base interactions energy: -454.311
where: short stacking energy: -207.394
Base-Backbone interact. energy: -1.180
local terms energy: -230.856229
where:
bonds (distance) C4'-P energy: -49.530
bonds (distance) P-C4' energy: -57.313
flat angles C4'-P-C4' energy: -43.096
flat angles P-C4'-P energy: -24.595
tors. eta vs tors. theta energy: -56.323
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: 145
Temperature: 1.200000
Total energy: -632.279468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.279468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.279468 (E_RNA)
where:
Base-Base interactions energy: -412.514
where: short stacking energy: -187.108
Base-Backbone interact. energy: -0.150
local terms energy: -219.614971
where:
bonds (distance) C4'-P energy: -42.386
bonds (distance) P-C4' energy: -42.922
flat angles C4'-P-C4' energy: -55.561
flat angles P-C4'-P energy: -32.894
tors. eta vs tors. theta energy: -45.852
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: 9
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -502.187821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.187821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.187821 (E_RNA)
where:
Base-Base interactions energy: -302.158
where: short stacking energy: -145.349
Base-Backbone interact. energy: 0.082
local terms energy: -200.111761
where:
bonds (distance) C4'-P energy: -46.222
bonds (distance) P-C4' energy: -51.141
flat angles C4'-P-C4' energy: -41.513
flat angles P-C4'-P energy: -34.426
tors. eta vs tors. theta energy: -26.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -467.430264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.430264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.430264 (E_RNA)
where:
Base-Base interactions energy: -272.175
where: short stacking energy: -150.583
Base-Backbone interact. energy: -0.870
local terms energy: -194.385637
where:
bonds (distance) C4'-P energy: -53.590
bonds (distance) P-C4' energy: -47.154
flat angles C4'-P-C4' energy: -51.344
flat angles P-C4'-P energy: -14.586
tors. eta vs tors. theta energy: -27.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -241.927324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.927324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.927324 (E_RNA)
where:
Base-Base interactions energy: -73.960
where: short stacking energy: -67.556
Base-Backbone interact. energy: 0.874
local terms energy: -168.841755
where:
bonds (distance) C4'-P energy: -45.602
bonds (distance) P-C4' energy: -60.401
flat angles C4'-P-C4' energy: -43.424
flat angles P-C4'-P energy: -30.468
tors. eta vs tors. theta energy: 11.053
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: 1, replica: 7
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1021.893946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.893946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.893946 (E_RNA)
where:
Base-Base interactions energy: -701.847
where: short stacking energy: -299.341
Base-Backbone interact. energy: -0.447
local terms energy: -319.599854
where:
bonds (distance) C4'-P energy: -52.948
bonds (distance) P-C4' energy: -67.007
flat angles C4'-P-C4' energy: -70.238
flat angles P-C4'-P energy: -39.307
tors. eta vs tors. theta energy: -90.101
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: 4
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1003.142726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.142726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.142726 (E_RNA)
where:
Base-Base interactions energy: -701.804
where: short stacking energy: -281.235
Base-Backbone interact. energy: -0.960
local terms energy: -300.378775
where:
bonds (distance) C4'-P energy: -53.691
bonds (distance) P-C4' energy: -53.831
flat angles C4'-P-C4' energy: -63.349
flat angles P-C4'-P energy: -41.312
tors. eta vs tors. theta energy: -88.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -904.733324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.733324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.733324 (E_RNA)
where:
Base-Base interactions energy: -607.184
where: short stacking energy: -266.004
Base-Backbone interact. energy: -2.020
local terms energy: -295.530194
where:
bonds (distance) C4'-P energy: -57.848
bonds (distance) P-C4' energy: -56.448
flat angles C4'-P-C4' energy: -58.942
flat angles P-C4'-P energy: -43.193
tors. eta vs tors. theta energy: -79.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -813.763266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.763266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.763266 (E_RNA)
where:
Base-Base interactions energy: -547.540
where: short stacking energy: -251.435
Base-Backbone interact. energy: -1.819
local terms energy: -264.405008
where:
bonds (distance) C4'-P energy: -42.442
bonds (distance) P-C4' energy: -54.947
flat angles C4'-P-C4' energy: -53.659
flat angles P-C4'-P energy: -34.794
tors. eta vs tors. theta energy: -78.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -681.717174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.717174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.717174 (E_RNA)
where:
Base-Base interactions energy: -445.616
where: short stacking energy: -221.273
Base-Backbone interact. energy: -1.861
local terms energy: -234.240918
where:
bonds (distance) C4'-P energy: -48.166
bonds (distance) P-C4' energy: -42.648
flat angles C4'-P-C4' energy: -57.852
flat angles P-C4'-P energy: -37.052
tors. eta vs tors. theta energy: -48.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -771.274154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.274154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.274154 (E_RNA)
where:
Base-Base interactions energy: -523.902
where: short stacking energy: -256.227
Base-Backbone interact. energy: 0.243
local terms energy: -247.615240
where:
bonds (distance) C4'-P energy: -43.434
bonds (distance) P-C4' energy: -50.674
flat angles C4'-P-C4' energy: -53.514
flat angles P-C4'-P energy: -31.683
tors. eta vs tors. theta energy: -68.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -631.127601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.127601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.127601 (E_RNA)
where:
Base-Base interactions energy: -417.337
where: short stacking energy: -172.385
Base-Backbone interact. energy: -1.108
local terms energy: -212.683454
where:
bonds (distance) C4'-P energy: -43.327
bonds (distance) P-C4' energy: -54.374
flat angles C4'-P-C4' energy: -62.280
flat angles P-C4'-P energy: -17.295
tors. eta vs tors. theta energy: -35.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -496.943919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.943919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.943919 (E_RNA)
where:
Base-Base interactions energy: -288.366
where: short stacking energy: -156.686
Base-Backbone interact. energy: 0.056
local terms energy: -208.633653
where:
bonds (distance) C4'-P energy: -48.347
bonds (distance) P-C4' energy: -55.307
flat angles C4'-P-C4' energy: -45.546
flat angles P-C4'-P energy: -31.264
tors. eta vs tors. theta energy: -28.170
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: 6
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -298.162665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.162665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.162665 (E_RNA)
where:
Base-Base interactions energy: -139.043
where: short stacking energy: -89.479
Base-Backbone interact. energy: -1.263
local terms energy: -157.856314
where:
bonds (distance) C4'-P energy: -40.476
bonds (distance) P-C4' energy: -45.316
flat angles C4'-P-C4' energy: -45.321
flat angles P-C4'-P energy: -21.689
tors. eta vs tors. theta energy: -5.055
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: 1
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -403.737084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -403.737084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -403.737084 (E_RNA)
where:
Base-Base interactions energy: -233.852
where: short stacking energy: -109.254
Base-Backbone interact. energy: -0.765
local terms energy: -169.120492
where:
bonds (distance) C4'-P energy: -49.783
bonds (distance) P-C4' energy: -47.907
flat angles C4'-P-C4' energy: -38.499
flat angles P-C4'-P energy: -17.916
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1032.988683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.988683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.988683 (E_RNA)
where:
Base-Base interactions energy: -715.128
where: short stacking energy: -315.250
Base-Backbone interact. energy: -0.590
local terms energy: -317.270641
where:
bonds (distance) C4'-P energy: -62.206
bonds (distance) P-C4' energy: -54.207
flat angles C4'-P-C4' energy: -64.961
flat angles P-C4'-P energy: -39.311
tors. eta vs tors. theta energy: -96.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -995.981178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.981178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.981178 (E_RNA)
where:
Base-Base interactions energy: -693.650
where: short stacking energy: -283.380
Base-Backbone interact. energy: -0.744
local terms energy: -301.587280
where:
bonds (distance) C4'-P energy: -52.970
bonds (distance) P-C4' energy: -54.569
flat angles C4'-P-C4' energy: -63.341
flat angles P-C4'-P energy: -43.890
tors. eta vs tors. theta energy: -86.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -910.859952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.859952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.859952 (E_RNA)
where:
Base-Base interactions energy: -619.795
where: short stacking energy: -269.700
Base-Backbone interact. energy: 0.058
local terms energy: -291.122706
where:
bonds (distance) C4'-P energy: -51.565
bonds (distance) P-C4' energy: -55.084
flat angles C4'-P-C4' energy: -64.962
flat angles P-C4'-P energy: -42.639
tors. eta vs tors. theta energy: -76.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -808.677302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.677302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.677302 (E_RNA)
where:
Base-Base interactions energy: -528.347
where: short stacking energy: -249.575
Base-Backbone interact. energy: -1.026
local terms energy: -279.304380
where:
bonds (distance) C4'-P energy: -53.477
bonds (distance) P-C4' energy: -51.065
flat angles C4'-P-C4' energy: -61.482
flat angles P-C4'-P energy: -38.744
tors. eta vs tors. theta energy: -74.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -736.108828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.108828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.108828 (E_RNA)
where:
Base-Base interactions energy: -492.311
where: short stacking energy: -202.652
Base-Backbone interact. energy: -1.635
local terms energy: -242.162760
where:
bonds (distance) C4'-P energy: -42.623
bonds (distance) P-C4' energy: -47.185
flat angles C4'-P-C4' energy: -57.044
flat angles P-C4'-P energy: -41.089
tors. eta vs tors. theta energy: -54.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -774.302721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.302721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.302721 (E_RNA)
where:
Base-Base interactions energy: -506.608
where: short stacking energy: -243.020
Base-Backbone interact. energy: 1.924
local terms energy: -269.619079
where:
bonds (distance) C4'-P energy: -52.045
bonds (distance) P-C4' energy: -61.000
flat angles C4'-P-C4' energy: -52.725
flat angles P-C4'-P energy: -36.330
tors. eta vs tors. theta energy: -67.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -619.404707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.404707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.404707 (E_RNA)
where:
Base-Base interactions energy: -411.989
where: short stacking energy: -182.189
Base-Backbone interact. energy: 1.668
local terms energy: -209.084495
where:
bonds (distance) C4'-P energy: -41.907
bonds (distance) P-C4' energy: -37.625
flat angles C4'-P-C4' energy: -50.741
flat angles P-C4'-P energy: -42.813
tors. eta vs tors. theta energy: -35.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -509.168201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.168201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.168201 (E_RNA)
where:
Base-Base interactions energy: -303.401
where: short stacking energy: -168.025
Base-Backbone interact. energy: 2.696
local terms energy: -208.463365
where:
bonds (distance) C4'-P energy: -48.726
bonds (distance) P-C4' energy: -54.190
flat angles C4'-P-C4' energy: -46.142
flat angles P-C4'-P energy: -27.380
tors. eta vs tors. theta energy: -32.024
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: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -257.306899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.306899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.306899 (E_RNA)
where:
Base-Base interactions energy: -97.069
where: short stacking energy: -80.781
Base-Backbone interact. energy: 2.249
local terms energy: -162.487430
where:
bonds (distance) C4'-P energy: -45.645
bonds (distance) P-C4' energy: -54.581
flat angles C4'-P-C4' energy: -51.512
flat angles P-C4'-P energy: -3.904
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -430.163132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.163132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.163132 (E_RNA)
where:
Base-Base interactions energy: -247.324
where: short stacking energy: -123.385
Base-Backbone interact. energy: -0.705
local terms energy: -182.134324
where:
bonds (distance) C4'-P energy: -46.553
bonds (distance) P-C4' energy: -39.013
flat angles C4'-P-C4' energy: -45.630
flat angles P-C4'-P energy: -24.501
tors. eta vs tors. theta energy: -26.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1038.897649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.897649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.897649 (E_RNA)
where:
Base-Base interactions energy: -718.853
where: short stacking energy: -317.373
Base-Backbone interact. energy: -0.673
local terms energy: -319.371924
where:
bonds (distance) C4'-P energy: -61.453
bonds (distance) P-C4' energy: -54.608
flat angles C4'-P-C4' energy: -63.293
flat angles P-C4'-P energy: -45.974
tors. eta vs tors. theta energy: -94.044
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: 4
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1005.430914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.430914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.430914 (E_RNA)
where:
Base-Base interactions energy: -709.114
where: short stacking energy: -293.755
Base-Backbone interact. energy: -1.297
local terms energy: -295.020462
where:
bonds (distance) C4'-P energy: -46.851
bonds (distance) P-C4' energy: -50.621
flat angles C4'-P-C4' energy: -67.274
flat angles P-C4'-P energy: -41.056
tors. eta vs tors. theta energy: -89.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -928.247487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.247487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.247487 (E_RNA)
where:
Base-Base interactions energy: -627.241
where: short stacking energy: -266.252
Base-Backbone interact. energy: 0.488
local terms energy: -301.494747
where:
bonds (distance) C4'-P energy: -58.862
bonds (distance) P-C4' energy: -54.153
flat angles C4'-P-C4' energy: -57.956
flat angles P-C4'-P energy: -46.961
tors. eta vs tors. theta energy: -83.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -842.549521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.549521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.549521 (E_RNA)
where:
Base-Base interactions energy: -554.923
where: short stacking energy: -245.931
Base-Backbone interact. energy: -1.693
local terms energy: -285.932938
where:
bonds (distance) C4'-P energy: -54.811
bonds (distance) P-C4' energy: -60.516
flat angles C4'-P-C4' energy: -59.898
flat angles P-C4'-P energy: -36.962
tors. eta vs tors. theta energy: -73.745
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: 10
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -750.398707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.398707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.398707 (E_RNA)
where:
Base-Base interactions energy: -495.852
where: short stacking energy: -225.162
Base-Backbone interact. energy: -0.536
local terms energy: -254.011007
where:
bonds (distance) C4'-P energy: -45.435
bonds (distance) P-C4' energy: -58.073
flat angles C4'-P-C4' energy: -55.317
flat angles P-C4'-P energy: -33.447
tors. eta vs tors. theta energy: -61.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -767.587893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.587893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.587893 (E_RNA)
where:
Base-Base interactions energy: -508.414
where: short stacking energy: -238.721
Base-Backbone interact. energy: -0.690
local terms energy: -258.484573
where:
bonds (distance) C4'-P energy: -52.933
bonds (distance) P-C4' energy: -48.121
flat angles C4'-P-C4' energy: -54.873
flat angles P-C4'-P energy: -40.288
tors. eta vs tors. theta energy: -62.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -663.799162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.799162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.799162 (E_RNA)
where:
Base-Base interactions energy: -442.939
where: short stacking energy: -209.848
Base-Backbone interact. energy: -0.902
local terms energy: -219.958040
where:
bonds (distance) C4'-P energy: -42.992
bonds (distance) P-C4' energy: -47.789
flat angles C4'-P-C4' energy: -50.177
flat angles P-C4'-P energy: -26.315
tors. eta vs tors. theta energy: -52.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -519.380578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.380578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.380578 (E_RNA)
where:
Base-Base interactions energy: -308.756
where: short stacking energy: -150.545
Base-Backbone interact. energy: -0.641
local terms energy: -209.983773
where:
bonds (distance) C4'-P energy: -45.693
bonds (distance) P-C4' energy: -47.519
flat angles C4'-P-C4' energy: -53.854
flat angles P-C4'-P energy: -29.971
tors. eta vs tors. theta energy: -32.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -478.812063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.812063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.812063 (E_RNA)
where:
Base-Base interactions energy: -282.127
where: short stacking energy: -152.359
Base-Backbone interact. energy: -0.907
local terms energy: -195.778284
where:
bonds (distance) C4'-P energy: -48.144
bonds (distance) P-C4' energy: -50.082
flat angles C4'-P-C4' energy: -50.896
flat angles P-C4'-P energy: -25.688
tors. eta vs tors. theta energy: -20.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -255.404263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.404263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.404263 (E_RNA)
where:
Base-Base interactions energy: -108.679
where: short stacking energy: -69.974
Base-Backbone interact. energy: -2.777
local terms energy: -143.947857
where:
bonds (distance) C4'-P energy: -42.666
bonds (distance) P-C4' energy: -34.713
flat angles C4'-P-C4' energy: -49.297
flat angles P-C4'-P energy: -24.576
tors. eta vs tors. theta energy: 7.303
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: 149
Temperature: 0.900000
Total energy: -1046.384824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.384824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.384824 (E_RNA)
where:
Base-Base interactions energy: -717.680
where: short stacking energy: -311.549
Base-Backbone interact. energy: -2.340
local terms energy: -326.365509
where:
bonds (distance) C4'-P energy: -63.057
bonds (distance) P-C4' energy: -60.911
flat angles C4'-P-C4' energy: -68.450
flat angles P-C4'-P energy: -41.581
tors. eta vs tors. theta energy: -92.367
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: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1003.829850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.829850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.829850 (E_RNA)
where:
Base-Base interactions energy: -705.454
where: short stacking energy: -292.895
Base-Backbone interact. energy: -0.748
local terms energy: -297.628306
where:
bonds (distance) C4'-P energy: -57.769
bonds (distance) P-C4' energy: -47.578
flat angles C4'-P-C4' energy: -61.065
flat angles P-C4'-P energy: -41.787
tors. eta vs tors. theta energy: -89.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -932.688841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.688841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.688841 (E_RNA)
where:
Base-Base interactions energy: -647.682
where: short stacking energy: -277.474
Base-Backbone interact. energy: -0.798
local terms energy: -284.208849
where:
bonds (distance) C4'-P energy: -51.194
bonds (distance) P-C4' energy: -52.923
flat angles C4'-P-C4' energy: -66.333
flat angles P-C4'-P energy: -29.978
tors. eta vs tors. theta energy: -83.781
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: 2
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -843.679309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.679309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.679309 (E_RNA)
where:
Base-Base interactions energy: -583.730
where: short stacking energy: -245.300
Base-Backbone interact. energy: -1.068
local terms energy: -258.881178
where:
bonds (distance) C4'-P energy: -49.405
bonds (distance) P-C4' energy: -36.400
flat angles C4'-P-C4' energy: -60.580
flat angles P-C4'-P energy: -37.505
tors. eta vs tors. theta energy: -74.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -730.909067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.909067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.909067 (E_RNA)
where:
Base-Base interactions energy: -499.725
where: short stacking energy: -213.577
Base-Backbone interact. energy: -1.207
local terms energy: -229.976469
where:
bonds (distance) C4'-P energy: -35.000
bonds (distance) P-C4' energy: -61.003
flat angles C4'-P-C4' energy: -49.188
flat angles P-C4'-P energy: -30.556
tors. eta vs tors. theta energy: -54.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -785.717671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.717671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.717671 (E_RNA)
where:
Base-Base interactions energy: -517.278
where: short stacking energy: -230.231
Base-Backbone interact. energy: -0.171
local terms energy: -268.268748
where:
bonds (distance) C4'-P energy: -55.266
bonds (distance) P-C4' energy: -50.122
flat angles C4'-P-C4' energy: -53.236
flat angles P-C4'-P energy: -38.561
tors. eta vs tors. theta energy: -71.084
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: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -712.096123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.096123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.096123 (E_RNA)
where:
Base-Base interactions energy: -471.300
where: short stacking energy: -214.512
Base-Backbone interact. energy: -1.727
local terms energy: -239.069037
where:
bonds (distance) C4'-P energy: -49.385
bonds (distance) P-C4' energy: -59.763
flat angles C4'-P-C4' energy: -45.540
flat angles P-C4'-P energy: -27.090
tors. eta vs tors. theta energy: -57.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -580.293644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.293644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.293644 (E_RNA)
where:
Base-Base interactions energy: -378.517
where: short stacking energy: -185.275
Base-Backbone interact. energy: 1.217
local terms energy: -202.993980
where:
bonds (distance) C4'-P energy: -39.488
bonds (distance) P-C4' energy: -49.010
flat angles C4'-P-C4' energy: -45.769
flat angles P-C4'-P energy: -22.231
tors. eta vs tors. theta energy: -46.496
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: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -491.265433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.265433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.265433 (E_RNA)
where:
Base-Base interactions energy: -291.583
where: short stacking energy: -141.600
Base-Backbone interact. energy: 0.271
local terms energy: -199.953102
where:
bonds (distance) C4'-P energy: -45.346
bonds (distance) P-C4' energy: -48.512
flat angles C4'-P-C4' energy: -38.325
flat angles P-C4'-P energy: -42.336
tors. eta vs tors. theta energy: -25.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -230.162674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.162674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.162674 (E_RNA)
where:
Base-Base interactions energy: -77.114
where: short stacking energy: -61.428
Base-Backbone interact. energy: -1.787
local terms energy: -151.261133
where:
bonds (distance) C4'-P energy: -54.974
bonds (distance) P-C4' energy: -49.179
flat angles C4'-P-C4' energy: -33.370
flat angles P-C4'-P energy: -28.983
tors. eta vs tors. theta energy: 15.246
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: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1019.497674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.497674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.497674 (E_RNA)
where:
Base-Base interactions energy: -717.699
where: short stacking energy: -291.991
Base-Backbone interact. energy: 0.056
local terms energy: -301.854662
where:
bonds (distance) C4'-P energy: -54.571
bonds (distance) P-C4' energy: -57.764
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -41.059
tors. eta vs tors. theta energy: -89.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -986.657319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.657319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.657319 (E_RNA)
where:
Base-Base interactions energy: -692.149
where: short stacking energy: -292.377
Base-Backbone interact. energy: -0.754
local terms energy: -293.754377
where:
bonds (distance) C4'-P energy: -48.732
bonds (distance) P-C4' energy: -52.898
flat angles C4'-P-C4' energy: -55.718
flat angles P-C4'-P energy: -51.268
tors. eta vs tors. theta energy: -85.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -934.192331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.192331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.192331 (E_RNA)
where:
Base-Base interactions energy: -636.788
where: short stacking energy: -277.519
Base-Backbone interact. energy: -2.545
local terms energy: -294.859387
where:
bonds (distance) C4'-P energy: -49.225
bonds (distance) P-C4' energy: -49.994
flat angles C4'-P-C4' energy: -63.035
flat angles P-C4'-P energy: -45.681
tors. eta vs tors. theta energy: -86.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -828.608423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.608423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.608423 (E_RNA)
where:
Base-Base interactions energy: -564.682
where: short stacking energy: -219.864
Base-Backbone interact. energy: -1.711
local terms energy: -262.215714
where:
bonds (distance) C4'-P energy: -54.866
bonds (distance) P-C4' energy: -43.865
flat angles C4'-P-C4' energy: -55.919
flat angles P-C4'-P energy: -46.772
tors. eta vs tors. theta energy: -60.794
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: 8
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -819.640325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.640325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.640325 (E_RNA)
where:
Base-Base interactions energy: -564.747
where: short stacking energy: -256.680
Base-Backbone interact. energy: -0.195
local terms energy: -254.697565
where:
bonds (distance) C4'-P energy: -51.896
bonds (distance) P-C4' energy: -45.241
flat angles C4'-P-C4' energy: -57.964
flat angles P-C4'-P energy: -36.848
tors. eta vs tors. theta energy: -62.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -771.325498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.325498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.325498 (E_RNA)
where:
Base-Base interactions energy: -518.127
where: short stacking energy: -230.384
Base-Backbone interact. energy: -1.075
local terms energy: -252.123950
where:
bonds (distance) C4'-P energy: -45.805
bonds (distance) P-C4' energy: -54.635
flat angles C4'-P-C4' energy: -51.369
flat angles P-C4'-P energy: -37.135
tors. eta vs tors. theta energy: -63.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -670.192972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -670.192972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -670.192972 (E_RNA)
where:
Base-Base interactions energy: -456.364
where: short stacking energy: -207.986
Base-Backbone interact. energy: 1.068
local terms energy: -214.897245
where:
bonds (distance) C4'-P energy: -35.022
bonds (distance) P-C4' energy: -36.602
flat angles C4'-P-C4' energy: -54.998
flat angles P-C4'-P energy: -33.581
tors. eta vs tors. theta energy: -54.695
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: 8, replica: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -588.591854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.591854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.591854 (E_RNA)
where:
Base-Base interactions energy: -391.519
where: short stacking energy: -179.070
Base-Backbone interact. energy: 3.382
local terms energy: -200.455396
where:
bonds (distance) C4'-P energy: -38.162
bonds (distance) P-C4' energy: -57.906
flat angles C4'-P-C4' energy: -43.030
flat angles P-C4'-P energy: -25.361
tors. eta vs tors. theta energy: -35.997
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: 1
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -460.406454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.406454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.406454 (E_RNA)
where:
Base-Base interactions energy: -268.546
where: short stacking energy: -132.432
Base-Backbone interact. energy: 2.520
local terms energy: -194.380198
where:
bonds (distance) C4'-P energy: -56.867
bonds (distance) P-C4' energy: -52.083
flat angles C4'-P-C4' energy: -39.639
flat angles P-C4'-P energy: -31.540
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: 10, replica: 6
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -242.530535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.530535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.530535 (E_RNA)
where:
Base-Base interactions energy: -80.499
where: short stacking energy: -69.123
Base-Backbone interact. energy: 0.964
local terms energy: -162.995323
where:
bonds (distance) C4'-P energy: -35.635
bonds (distance) P-C4' energy: -45.310
flat angles C4'-P-C4' energy: -49.119
flat angles P-C4'-P energy: -37.094
tors. eta vs tors. theta energy: 4.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1020.729160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.729160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.729160 (E_RNA)
where:
Base-Base interactions energy: -708.357
where: short stacking energy: -307.917
Base-Backbone interact. energy: 0.321
local terms energy: -312.693379
where:
bonds (distance) C4'-P energy: -53.419
bonds (distance) P-C4' energy: -56.241
flat angles C4'-P-C4' energy: -60.694
flat angles P-C4'-P energy: -51.240
tors. eta vs tors. theta energy: -91.099
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: 151
Temperature: 0.950000
Total energy: -1019.070793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.070793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.070793 (E_RNA)
where:
Base-Base interactions energy: -711.174
where: short stacking energy: -309.444
Base-Backbone interact. energy: 1.983
local terms energy: -309.879503
where:
bonds (distance) C4'-P energy: -53.930
bonds (distance) P-C4' energy: -59.496
flat angles C4'-P-C4' energy: -59.168
flat angles P-C4'-P energy: -48.608
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: 3, replica: 5
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -889.210036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.210036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.210036 (E_RNA)
where:
Base-Base interactions energy: -611.791
where: short stacking energy: -264.836
Base-Backbone interact. energy: -0.753
local terms energy: -276.666360
where:
bonds (distance) C4'-P energy: -48.788
bonds (distance) P-C4' energy: -55.438
flat angles C4'-P-C4' energy: -56.201
flat angles P-C4'-P energy: -40.412
tors. eta vs tors. theta energy: -75.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -854.505670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.505670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.505670 (E_RNA)
where:
Base-Base interactions energy: -563.024
where: short stacking energy: -264.961
Base-Backbone interact. energy: -1.002
local terms energy: -290.479693
where:
bonds (distance) C4'-P energy: -50.862
bonds (distance) P-C4' energy: -54.645
flat angles C4'-P-C4' energy: -62.099
flat angles P-C4'-P energy: -38.985
tors. eta vs tors. theta energy: -83.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -802.527359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.527359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.527359 (E_RNA)
where:
Base-Base interactions energy: -536.758
where: short stacking energy: -235.705
Base-Backbone interact. energy: 2.539
local terms energy: -268.307762
where:
bonds (distance) C4'-P energy: -51.807
bonds (distance) P-C4' energy: -47.412
flat angles C4'-P-C4' energy: -61.123
flat angles P-C4'-P energy: -36.181
tors. eta vs tors. theta energy: -71.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -776.043104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.043104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.043104 (E_RNA)
where:
Base-Base interactions energy: -524.186
where: short stacking energy: -224.983
Base-Backbone interact. energy: -0.804
local terms energy: -251.053411
where:
bonds (distance) C4'-P energy: -51.834
bonds (distance) P-C4' energy: -42.411
flat angles C4'-P-C4' energy: -51.721
flat angles P-C4'-P energy: -41.190
tors. eta vs tors. theta energy: -63.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -688.790623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.790623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.790623 (E_RNA)
where:
Base-Base interactions energy: -433.799
where: short stacking energy: -204.870
Base-Backbone interact. energy: -0.316
local terms energy: -254.675629
where:
bonds (distance) C4'-P energy: -53.207
bonds (distance) P-C4' energy: -52.247
flat angles C4'-P-C4' energy: -51.354
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -58.346
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: 9
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -545.878275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.878275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.878275 (E_RNA)
where:
Base-Base interactions energy: -342.679
where: short stacking energy: -152.324
Base-Backbone interact. energy: -0.031
local terms energy: -203.168537
where:
bonds (distance) C4'-P energy: -41.762
bonds (distance) P-C4' energy: -53.693
flat angles C4'-P-C4' energy: -42.752
flat angles P-C4'-P energy: -30.268
tors. eta vs tors. theta energy: -34.693
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: 1
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -476.029746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.029746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.029746 (E_RNA)
where:
Base-Base interactions energy: -269.524
where: short stacking energy: -133.698
Base-Backbone interact. energy: -0.621
local terms energy: -205.884906
where:
bonds (distance) C4'-P energy: -45.818
bonds (distance) P-C4' energy: -56.156
flat angles C4'-P-C4' energy: -55.700
flat angles P-C4'-P energy: -23.231
tors. eta vs tors. theta energy: -24.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -247.388378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.388378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.388378 (E_RNA)
where:
Base-Base interactions energy: -81.957
where: short stacking energy: -60.369
Base-Backbone interact. energy: 1.232
local terms energy: -166.663632
where:
bonds (distance) C4'-P energy: -60.209
bonds (distance) P-C4' energy: -51.142
flat angles C4'-P-C4' energy: -31.187
flat angles P-C4'-P energy: -23.253
tors. eta vs tors. theta energy: -0.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1016.577451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.577451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.577451 (E_RNA)
where:
Base-Base interactions energy: -702.401
where: short stacking energy: -316.218
Base-Backbone interact. energy: -0.266
local terms energy: -313.910032
where:
bonds (distance) C4'-P energy: -58.102
bonds (distance) P-C4' energy: -56.066
flat angles C4'-P-C4' energy: -67.239
flat angles P-C4'-P energy: -39.645
tors. eta vs tors. theta energy: -92.858
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: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1015.567786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.567786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.567786 (E_RNA)
where:
Base-Base interactions energy: -715.571
where: short stacking energy: -297.715
Base-Backbone interact. energy: -1.435
local terms energy: -298.561211
where:
bonds (distance) C4'-P energy: -55.718
bonds (distance) P-C4' energy: -54.541
flat angles C4'-P-C4' energy: -58.147
flat angles P-C4'-P energy: -40.995
tors. eta vs tors. theta energy: -89.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -872.609537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.609537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.609537 (E_RNA)
where:
Base-Base interactions energy: -586.912
where: short stacking energy: -266.697
Base-Backbone interact. energy: 0.225
local terms energy: -285.923236
where:
bonds (distance) C4'-P energy: -60.443
bonds (distance) P-C4' energy: -56.762
flat angles C4'-P-C4' energy: -54.494
flat angles P-C4'-P energy: -35.189
tors. eta vs tors. theta energy: -79.036
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: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -886.051672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.051672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.051672 (E_RNA)
where:
Base-Base interactions energy: -608.140
where: short stacking energy: -277.764
Base-Backbone interact. energy: -4.057
local terms energy: -273.854015
where:
bonds (distance) C4'-P energy: -39.952
bonds (distance) P-C4' energy: -57.313
flat angles C4'-P-C4' energy: -57.985
flat angles P-C4'-P energy: -40.989
tors. eta vs tors. theta energy: -77.615
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: 2
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -779.469675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.469675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.469675 (E_RNA)
where:
Base-Base interactions energy: -508.779
where: short stacking energy: -247.404
Base-Backbone interact. energy: 0.132
local terms energy: -270.823224
where:
bonds (distance) C4'-P energy: -44.916
bonds (distance) P-C4' energy: -61.348
flat angles C4'-P-C4' energy: -51.782
flat angles P-C4'-P energy: -36.107
tors. eta vs tors. theta energy: -76.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -739.523443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.523443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.523443 (E_RNA)
where:
Base-Base interactions energy: -484.507
where: short stacking energy: -195.534
Base-Backbone interact. energy: -0.774
local terms energy: -254.242342
where:
bonds (distance) C4'-P energy: -43.457
bonds (distance) P-C4' energy: -60.666
flat angles C4'-P-C4' energy: -60.408
flat angles P-C4'-P energy: -30.267
tors. eta vs tors. theta energy: -59.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -673.182191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -673.182191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -673.182191 (E_RNA)
where:
Base-Base interactions energy: -457.450
where: short stacking energy: -202.689
Base-Backbone interact. energy: 4.803
local terms energy: -220.535205
where:
bonds (distance) C4'-P energy: -48.087
bonds (distance) P-C4' energy: -51.774
flat angles C4'-P-C4' energy: -34.597
flat angles P-C4'-P energy: -36.506
tors. eta vs tors. theta energy: -49.570
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: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -574.712601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.712601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.712601 (E_RNA)
where:
Base-Base interactions energy: -351.022
where: short stacking energy: -168.688
Base-Backbone interact. energy: -0.637
local terms energy: -223.053561
where:
bonds (distance) C4'-P energy: -53.340
bonds (distance) P-C4' energy: -50.066
flat angles C4'-P-C4' energy: -51.384
flat angles P-C4'-P energy: -30.420
tors. eta vs tors. theta energy: -37.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -488.964070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.964070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.964070 (E_RNA)
where:
Base-Base interactions energy: -288.009
where: short stacking energy: -147.275
Base-Backbone interact. energy: -1.010
local terms energy: -199.944592
where:
bonds (distance) C4'-P energy: -57.013
bonds (distance) P-C4' energy: -50.507
flat angles C4'-P-C4' energy: -48.235
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -33.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -261.596854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.596854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.596854 (E_RNA)
where:
Base-Base interactions energy: -97.426
where: short stacking energy: -61.460
Base-Backbone interact. energy: -2.165
local terms energy: -162.006181
where:
bonds (distance) C4'-P energy: -47.416
bonds (distance) P-C4' energy: -46.387
flat angles C4'-P-C4' energy: -38.450
flat angles P-C4'-P energy: -31.198
tors. eta vs tors. theta energy: 1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1000.560452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.560452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.560452 (E_RNA)
where:
Base-Base interactions energy: -697.792
where: short stacking energy: -302.474
Base-Backbone interact. energy: -1.045
local terms energy: -301.723650
where:
bonds (distance) C4'-P energy: -50.048
bonds (distance) P-C4' energy: -53.556
flat angles C4'-P-C4' energy: -61.888
flat angles P-C4'-P energy: -47.699
tors. eta vs tors. theta energy: -88.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1004.982203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.982203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.982203 (E_RNA)
where:
Base-Base interactions energy: -706.839
where: short stacking energy: -293.253
Base-Backbone interact. energy: -0.795
local terms energy: -297.348913
where:
bonds (distance) C4'-P energy: -50.183
bonds (distance) P-C4' energy: -57.069
flat angles C4'-P-C4' energy: -64.549
flat angles P-C4'-P energy: -37.002
tors. eta vs tors. theta energy: -88.546
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: 3, replica: 5
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -886.827035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.827035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.827035 (E_RNA)
where:
Base-Base interactions energy: -610.591
where: short stacking energy: -266.699
Base-Backbone interact. energy: 1.147
local terms energy: -277.382921
where:
bonds (distance) C4'-P energy: -53.415
bonds (distance) P-C4' energy: -50.363
flat angles C4'-P-C4' energy: -60.890
flat angles P-C4'-P energy: -37.354
tors. eta vs tors. theta energy: -75.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -871.743758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.743758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.743758 (E_RNA)
where:
Base-Base interactions energy: -590.462
where: short stacking energy: -273.020
Base-Backbone interact. energy: -0.876
local terms energy: -280.405524
where:
bonds (distance) C4'-P energy: -47.433
bonds (distance) P-C4' energy: -60.398
flat angles C4'-P-C4' energy: -57.874
flat angles P-C4'-P energy: -35.186
tors. eta vs tors. theta energy: -79.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -784.822995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.822995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.822995 (E_RNA)
where:
Base-Base interactions energy: -514.844
where: short stacking energy: -241.769
Base-Backbone interact. energy: -1.303
local terms energy: -268.675553
where:
bonds (distance) C4'-P energy: -49.618
bonds (distance) P-C4' energy: -60.434
flat angles C4'-P-C4' energy: -56.210
flat angles P-C4'-P energy: -36.729
tors. eta vs tors. theta energy: -65.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -685.838922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.838922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.838922 (E_RNA)
where:
Base-Base interactions energy: -443.465
where: short stacking energy: -209.034
Base-Backbone interact. energy: -0.544
local terms energy: -241.830002
where:
bonds (distance) C4'-P energy: -42.502
bonds (distance) P-C4' energy: -61.321
flat angles C4'-P-C4' energy: -54.749
flat angles P-C4'-P energy: -36.448
tors. eta vs tors. theta energy: -46.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -763.647805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.647805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.647805 (E_RNA)
where:
Base-Base interactions energy: -506.982
where: short stacking energy: -234.669
Base-Backbone interact. energy: 0.999
local terms energy: -257.664973
where:
bonds (distance) C4'-P energy: -48.311
bonds (distance) P-C4' energy: -50.464
flat angles C4'-P-C4' energy: -57.840
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -59.959
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: 8, replica: 9
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -590.424495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.424495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.424495 (E_RNA)
where:
Base-Base interactions energy: -382.956
where: short stacking energy: -164.176
Base-Backbone interact. energy: -1.322
local terms energy: -206.146241
where:
bonds (distance) C4'-P energy: -38.914
bonds (distance) P-C4' energy: -57.698
flat angles C4'-P-C4' energy: -35.234
flat angles P-C4'-P energy: -36.590
tors. eta vs tors. theta energy: -37.709
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: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -482.424226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.424226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.424226 (E_RNA)
where:
Base-Base interactions energy: -289.346
where: short stacking energy: -146.142
Base-Backbone interact. energy: 3.655
local terms energy: -196.732982
where:
bonds (distance) C4'-P energy: -43.607
bonds (distance) P-C4' energy: -55.844
flat angles C4'-P-C4' energy: -51.430
flat angles P-C4'-P energy: -27.759
tors. eta vs tors. theta energy: -18.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -293.262628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.262628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.262628 (E_RNA)
where:
Base-Base interactions energy: -140.593
where: short stacking energy: -78.832
Base-Backbone interact. energy: 1.527
local terms energy: -154.196787
where:
bonds (distance) C4'-P energy: -56.227
bonds (distance) P-C4' energy: -31.345
flat angles C4'-P-C4' energy: -42.612
flat angles P-C4'-P energy: -28.809
tors. eta vs tors. theta energy: 4.796
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: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1020.667420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.667420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.667420 (E_RNA)
where:
Base-Base interactions energy: -712.789
where: short stacking energy: -296.777
Base-Backbone interact. energy: 0.803
local terms energy: -308.681280
where:
bonds (distance) C4'-P energy: -50.238
bonds (distance) P-C4' energy: -57.012
flat angles C4'-P-C4' energy: -60.309
flat angles P-C4'-P energy: -47.428
tors. eta vs tors. theta energy: -93.694
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: 4
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1005.280146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.280146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.280146 (E_RNA)
where:
Base-Base interactions energy: -696.215
where: short stacking energy: -303.415
Base-Backbone interact. energy: -1.084
local terms energy: -307.980813
where:
bonds (distance) C4'-P energy: -56.964
bonds (distance) P-C4' energy: -56.319
flat angles C4'-P-C4' energy: -67.664
flat angles P-C4'-P energy: -38.717
tors. eta vs tors. theta energy: -88.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -891.212635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.212635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.212635 (E_RNA)
where:
Base-Base interactions energy: -591.495
where: short stacking energy: -265.637
Base-Backbone interact. energy: -0.683
local terms energy: -299.034751
where:
bonds (distance) C4'-P energy: -58.198
bonds (distance) P-C4' energy: -51.619
flat angles C4'-P-C4' energy: -63.014
flat angles P-C4'-P energy: -40.416
tors. eta vs tors. theta energy: -85.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -886.951219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.951219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.951219 (E_RNA)
where:
Base-Base interactions energy: -582.876
where: short stacking energy: -266.783
Base-Backbone interact. energy: -1.189
local terms energy: -302.886148
where:
bonds (distance) C4'-P energy: -55.471
bonds (distance) P-C4' energy: -62.469
flat angles C4'-P-C4' energy: -61.517
flat angles P-C4'-P energy: -40.404
tors. eta vs tors. theta energy: -83.026
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: 2
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -821.137269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.137269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.137269 (E_RNA)
where:
Base-Base interactions energy: -535.313
where: short stacking energy: -259.955
Base-Backbone interact. energy: -0.100
local terms energy: -285.724344
where:
bonds (distance) C4'-P energy: -56.318
bonds (distance) P-C4' energy: -51.740
flat angles C4'-P-C4' energy: -59.021
flat angles P-C4'-P energy: -43.201
tors. eta vs tors. theta energy: -75.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -683.124811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.124811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.124811 (E_RNA)
where:
Base-Base interactions energy: -442.892
where: short stacking energy: -196.524
Base-Backbone interact. energy: 0.042
local terms energy: -240.274787
where:
bonds (distance) C4'-P energy: -53.514
bonds (distance) P-C4' energy: -56.362
flat angles C4'-P-C4' energy: -46.413
flat angles P-C4'-P energy: -33.739
tors. eta vs tors. theta energy: -50.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -740.610935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.610935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.610935 (E_RNA)
where:
Base-Base interactions energy: -507.170
where: short stacking energy: -208.392
Base-Backbone interact. energy: -1.077
local terms energy: -232.363897
where:
bonds (distance) C4'-P energy: -59.328
bonds (distance) P-C4' energy: -48.929
flat angles C4'-P-C4' energy: -46.745
flat angles P-C4'-P energy: -31.554
tors. eta vs tors. theta energy: -45.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -597.434772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.434772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.434772 (E_RNA)
where:
Base-Base interactions energy: -385.758
where: short stacking energy: -170.425
Base-Backbone interact. energy: -2.349
local terms energy: -209.327195
where:
bonds (distance) C4'-P energy: -43.011
bonds (distance) P-C4' energy: -39.854
flat angles C4'-P-C4' energy: -50.789
flat angles P-C4'-P energy: -41.091
tors. eta vs tors. theta energy: -34.582
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: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -483.908240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.908240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.908240 (E_RNA)
where:
Base-Base interactions energy: -292.658
where: short stacking energy: -146.796
Base-Backbone interact. energy: 0.995
local terms energy: -192.246010
where:
bonds (distance) C4'-P energy: -35.457
bonds (distance) P-C4' energy: -42.612
flat angles C4'-P-C4' energy: -44.005
flat angles P-C4'-P energy: -43.363
tors. eta vs tors. theta energy: -26.808
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: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -231.763842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.763842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.763842 (E_RNA)
where:
Base-Base interactions energy: -80.822
where: short stacking energy: -66.716
Base-Backbone interact. energy: 1.498
local terms energy: -152.439256
where:
bonds (distance) C4'-P energy: -51.836
bonds (distance) P-C4' energy: -45.416
flat angles C4'-P-C4' energy: -37.675
flat angles P-C4'-P energy: -22.053
tors. eta vs tors. theta energy: 4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1020.455350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.455350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.455350 (E_RNA)
where:
Base-Base interactions energy: -704.362
where: short stacking energy: -307.410
Base-Backbone interact. energy: -0.947
local terms energy: -315.146421
where:
bonds (distance) C4'-P energy: -51.015
bonds (distance) P-C4' energy: -56.430
flat angles C4'-P-C4' energy: -62.319
flat angles P-C4'-P energy: -50.334
tors. eta vs tors. theta energy: -95.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1008.945682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.945682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.945682 (E_RNA)
where:
Base-Base interactions energy: -698.371
where: short stacking energy: -276.477
Base-Backbone interact. energy: -0.331
local terms energy: -310.243272
where:
bonds (distance) C4'-P energy: -55.931
bonds (distance) P-C4' energy: -50.734
flat angles C4'-P-C4' energy: -67.504
flat angles P-C4'-P energy: -47.298
tors. eta vs tors. theta energy: -88.777
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: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -888.078735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.078735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.078735 (E_RNA)
where:
Base-Base interactions energy: -608.193
where: short stacking energy: -274.751
Base-Backbone interact. energy: -1.870
local terms energy: -278.016239
where:
bonds (distance) C4'-P energy: -44.819
bonds (distance) P-C4' energy: -50.680
flat angles C4'-P-C4' energy: -57.098
flat angles P-C4'-P energy: -41.059
tors. eta vs tors. theta energy: -84.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -892.372173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.372173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.372173 (E_RNA)
where:
Base-Base interactions energy: -592.682
where: short stacking energy: -268.828
Base-Backbone interact. energy: -1.595
local terms energy: -298.095461
where:
bonds (distance) C4'-P energy: -52.428
bonds (distance) P-C4' energy: -54.284
flat angles C4'-P-C4' energy: -68.161
flat angles P-C4'-P energy: -46.844
tors. eta vs tors. theta energy: -76.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -827.604854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.604854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.604854 (E_RNA)
where:
Base-Base interactions energy: -571.465
where: short stacking energy: -243.441
Base-Backbone interact. energy: -0.733
local terms energy: -255.406820
where:
bonds (distance) C4'-P energy: -47.358
bonds (distance) P-C4' energy: -47.817
flat angles C4'-P-C4' energy: -52.576
flat angles P-C4'-P energy: -33.658
tors. eta vs tors. theta energy: -73.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -732.754111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.754111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.754111 (E_RNA)
where:
Base-Base interactions energy: -462.859
where: short stacking energy: -206.594
Base-Backbone interact. energy: -1.137
local terms energy: -268.758021
where:
bonds (distance) C4'-P energy: -59.261
bonds (distance) P-C4' energy: -48.897
flat angles C4'-P-C4' energy: -54.944
flat angles P-C4'-P energy: -43.750
tors. eta vs tors. theta energy: -61.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -675.826737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.826737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.826737 (E_RNA)
where:
Base-Base interactions energy: -449.458
where: short stacking energy: -202.071
Base-Backbone interact. energy: 1.025
local terms energy: -227.393623
where:
bonds (distance) C4'-P energy: -47.716
bonds (distance) P-C4' energy: -40.066
flat angles C4'-P-C4' energy: -52.680
flat angles P-C4'-P energy: -27.540
tors. eta vs tors. theta energy: -59.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -619.762217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.762217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.762217 (E_RNA)
where:
Base-Base interactions energy: -407.589
where: short stacking energy: -204.813
Base-Backbone interact. energy: -1.126
local terms energy: -211.046900
where:
bonds (distance) C4'-P energy: -47.950
bonds (distance) P-C4' energy: -34.837
flat angles C4'-P-C4' energy: -51.288
flat angles P-C4'-P energy: -28.984
tors. eta vs tors. theta energy: -47.988
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: 9, replica: 1
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -469.959683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.959683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.959683 (E_RNA)
where:
Base-Base interactions energy: -279.741
where: short stacking energy: -138.775
Base-Backbone interact. energy: -0.808
local terms energy: -189.410656
where:
bonds (distance) C4'-P energy: -40.114
bonds (distance) P-C4' energy: -43.897
flat angles C4'-P-C4' energy: -52.519
flat angles P-C4'-P energy: -29.993
tors. eta vs tors. theta energy: -22.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -254.883563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.883563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.883563 (E_RNA)
where:
Base-Base interactions energy: -100.034
where: short stacking energy: -83.886
Base-Backbone interact. energy: -2.348
local terms energy: -152.501479
where:
bonds (distance) C4'-P energy: -48.391
bonds (distance) P-C4' energy: -45.910
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -30.949
tors. eta vs tors. theta energy: 8.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1021.076281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.076281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.076281 (E_RNA)
where:
Base-Base interactions energy: -715.171
where: short stacking energy: -292.268
Base-Backbone interact. energy: -1.348
local terms energy: -304.556968
where:
bonds (distance) C4'-P energy: -45.825
bonds (distance) P-C4' energy: -58.162
flat angles C4'-P-C4' energy: -62.684
flat angles P-C4'-P energy: -45.852
tors. eta vs tors. theta energy: -92.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1008.365289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.365289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.365289 (E_RNA)
where:
Base-Base interactions energy: -696.231
where: short stacking energy: -287.924
Base-Backbone interact. energy: -0.450
local terms energy: -311.684713
where:
bonds (distance) C4'-P energy: -54.021
bonds (distance) P-C4' energy: -62.322
flat angles C4'-P-C4' energy: -60.793
flat angles P-C4'-P energy: -47.006
tors. eta vs tors. theta energy: -87.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -889.251222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.251222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.251222 (E_RNA)
where:
Base-Base interactions energy: -600.462
where: short stacking energy: -259.927
Base-Backbone interact. energy: -2.397
local terms energy: -286.392143
where:
bonds (distance) C4'-P energy: -59.215
bonds (distance) P-C4' energy: -60.295
flat angles C4'-P-C4' energy: -54.921
flat angles P-C4'-P energy: -40.877
tors. eta vs tors. theta energy: -71.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -875.701285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.701285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.701285 (E_RNA)
where:
Base-Base interactions energy: -578.791
where: short stacking energy: -263.770
Base-Backbone interact. energy: -1.404
local terms energy: -295.506190
where:
bonds (distance) C4'-P energy: -51.080
bonds (distance) P-C4' energy: -62.072
flat angles C4'-P-C4' energy: -64.429
flat angles P-C4'-P energy: -39.118
tors. eta vs tors. theta energy: -78.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -780.895868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.895868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.895868 (E_RNA)
where:
Base-Base interactions energy: -502.170
where: short stacking energy: -241.360
Base-Backbone interact. energy: 0.761
local terms energy: -279.486268
where:
bonds (distance) C4'-P energy: -52.911
bonds (distance) P-C4' energy: -50.663
flat angles C4'-P-C4' energy: -60.719
flat angles P-C4'-P energy: -46.077
tors. eta vs tors. theta energy: -69.116
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: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -697.896626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.896626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.896626 (E_RNA)
where:
Base-Base interactions energy: -471.223
where: short stacking energy: -211.062
Base-Backbone interact. energy: 1.506
local terms energy: -228.180440
where:
bonds (distance) C4'-P energy: -42.185
bonds (distance) P-C4' energy: -42.524
flat angles C4'-P-C4' energy: -50.468
flat angles P-C4'-P energy: -30.757
tors. eta vs tors. theta energy: -62.246
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: 3
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -645.513619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.513619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.513619 (E_RNA)
where:
Base-Base interactions energy: -416.873
where: short stacking energy: -184.520
Base-Backbone interact. energy: -0.907
local terms energy: -227.732734
where:
bonds (distance) C4'-P energy: -50.053
bonds (distance) P-C4' energy: -48.550
flat angles C4'-P-C4' energy: -51.212
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -46.615
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: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -591.694385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.694385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.694385 (E_RNA)
where:
Base-Base interactions energy: -371.493
where: short stacking energy: -168.811
Base-Backbone interact. energy: -0.706
local terms energy: -219.496235
where:
bonds (distance) C4'-P energy: -49.730
bonds (distance) P-C4' energy: -47.390
flat angles C4'-P-C4' energy: -49.185
flat angles P-C4'-P energy: -33.407
tors. eta vs tors. theta energy: -39.784
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: 9, replica: 1
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -460.707506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.707506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.707506 (E_RNA)
where:
Base-Base interactions energy: -267.526
where: short stacking energy: -143.207
Base-Backbone interact. energy: -0.819
local terms energy: -192.362618
where:
bonds (distance) C4'-P energy: -57.688
bonds (distance) P-C4' energy: -43.637
flat angles C4'-P-C4' energy: -56.302
flat angles P-C4'-P energy: -19.254
tors. eta vs tors. theta energy: -15.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -240.130539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.130539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.130539 (E_RNA)
where:
Base-Base interactions energy: -83.619
where: short stacking energy: -69.380
Base-Backbone interact. energy: -0.950
local terms energy: -155.560766
where:
bonds (distance) C4'-P energy: -48.458
bonds (distance) P-C4' energy: -39.738
flat angles C4'-P-C4' energy: -42.519
flat angles P-C4'-P energy: -29.559
tors. eta vs tors. theta energy: 4.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1017.435828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.435828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.435828 (E_RNA)
where:
Base-Base interactions energy: -711.931
where: short stacking energy: -299.099
Base-Backbone interact. energy: 1.124
local terms energy: -306.628119
where:
bonds (distance) C4'-P energy: -56.648
bonds (distance) P-C4' energy: -48.945
flat angles C4'-P-C4' energy: -64.182
flat angles P-C4'-P energy: -44.746
tors. eta vs tors. theta energy: -92.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1011.487865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.487865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.487865 (E_RNA)
where:
Base-Base interactions energy: -688.622
where: short stacking energy: -298.389
Base-Backbone interact. energy: -1.826
local terms energy: -321.040004
where:
bonds (distance) C4'-P energy: -56.953
bonds (distance) P-C4' energy: -62.802
flat angles C4'-P-C4' energy: -64.728
flat angles P-C4'-P energy: -48.836
tors. eta vs tors. theta energy: -87.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -909.869887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.869887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.869887 (E_RNA)
where:
Base-Base interactions energy: -607.277
where: short stacking energy: -274.728
Base-Backbone interact. energy: 0.213
local terms energy: -302.805887
where:
bonds (distance) C4'-P energy: -57.707
bonds (distance) P-C4' energy: -59.788
flat angles C4'-P-C4' energy: -64.393
flat angles P-C4'-P energy: -36.080
tors. eta vs tors. theta energy: -84.837
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: 4, replica: 8
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -889.591624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.591624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.591624 (E_RNA)
where:
Base-Base interactions energy: -609.543
where: short stacking energy: -279.812
Base-Backbone interact. energy: -0.744
local terms energy: -279.305205
where:
bonds (distance) C4'-P energy: -36.913
bonds (distance) P-C4' energy: -53.318
flat angles C4'-P-C4' energy: -64.891
flat angles P-C4'-P energy: -39.372
tors. eta vs tors. theta energy: -84.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -824.127880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.127880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.127880 (E_RNA)
where:
Base-Base interactions energy: -542.842
where: short stacking energy: -254.764
Base-Backbone interact. energy: -0.364
local terms energy: -280.922591
where:
bonds (distance) C4'-P energy: -56.476
bonds (distance) P-C4' energy: -45.127
flat angles C4'-P-C4' energy: -61.546
flat angles P-C4'-P energy: -41.435
tors. eta vs tors. theta energy: -76.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -741.294807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.294807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.294807 (E_RNA)
where:
Base-Base interactions energy: -491.724
where: short stacking energy: -221.740
Base-Backbone interact. energy: -0.903
local terms energy: -248.667382
where:
bonds (distance) C4'-P energy: -50.554
bonds (distance) P-C4' energy: -54.968
flat angles C4'-P-C4' energy: -50.259
flat angles P-C4'-P energy: -31.613
tors. eta vs tors. theta energy: -61.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -620.874370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.874370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.874370 (E_RNA)
where:
Base-Base interactions energy: -393.473
where: short stacking energy: -180.833
Base-Backbone interact. energy: -0.954
local terms energy: -226.447257
where:
bonds (distance) C4'-P energy: -52.570
bonds (distance) P-C4' energy: -49.311
flat angles C4'-P-C4' energy: -45.449
flat angles P-C4'-P energy: -36.760
tors. eta vs tors. theta energy: -42.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -593.409819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.409819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.409819 (E_RNA)
where:
Base-Base interactions energy: -372.292
where: short stacking energy: -179.683
Base-Backbone interact. energy: -0.606
local terms energy: -220.511481
where:
bonds (distance) C4'-P energy: -43.854
bonds (distance) P-C4' energy: -58.291
flat angles C4'-P-C4' energy: -54.128
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: -29.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -445.308872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.308872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.308872 (E_RNA)
where:
Base-Base interactions energy: -282.024
where: short stacking energy: -137.907
Base-Backbone interact. energy: 1.606
local terms energy: -164.890814
where:
bonds (distance) C4'-P energy: -34.076
bonds (distance) P-C4' energy: -38.346
flat angles C4'-P-C4' energy: -48.264
flat angles P-C4'-P energy: -27.285
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -274.776441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.776441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.776441 (E_RNA)
where:
Base-Base interactions energy: -98.432
where: short stacking energy: -85.737
Base-Backbone interact. energy: -0.590
local terms energy: -175.754294
where:
bonds (distance) C4'-P energy: -44.477
bonds (distance) P-C4' energy: -49.105
flat angles C4'-P-C4' energy: -43.364
flat angles P-C4'-P energy: -34.897
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1020.155339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.155339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.155339 (E_RNA)
where:
Base-Base interactions energy: -705.440
where: short stacking energy: -299.431
Base-Backbone interact. energy: -1.496
local terms energy: -313.219601
where:
bonds (distance) C4'-P energy: -58.087
bonds (distance) P-C4' energy: -56.005
flat angles C4'-P-C4' energy: -62.387
flat angles P-C4'-P energy: -44.231
tors. eta vs tors. theta energy: -92.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1003.810225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.810225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.810225 (E_RNA)
where:
Base-Base interactions energy: -695.963
where: short stacking energy: -291.497
Base-Backbone interact. energy: -1.425
local terms energy: -306.421407
where:
bonds (distance) C4'-P energy: -54.773
bonds (distance) P-C4' energy: -59.593
flat angles C4'-P-C4' energy: -54.668
flat angles P-C4'-P energy: -46.277
tors. eta vs tors. theta energy: -91.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -894.401792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.401792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.401792 (E_RNA)
where:
Base-Base interactions energy: -598.249
where: short stacking energy: -282.360
Base-Backbone interact. energy: -1.294
local terms energy: -294.859273
where:
bonds (distance) C4'-P energy: -52.425
bonds (distance) P-C4' energy: -52.851
flat angles C4'-P-C4' energy: -66.455
flat angles P-C4'-P energy: -46.019
tors. eta vs tors. theta energy: -77.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -864.510552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.510552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.510552 (E_RNA)
where:
Base-Base interactions energy: -591.682
where: short stacking energy: -256.599
Base-Backbone interact. energy: -0.424
local terms energy: -272.404570
where:
bonds (distance) C4'-P energy: -43.303
bonds (distance) P-C4' energy: -62.306
flat angles C4'-P-C4' energy: -58.374
flat angles P-C4'-P energy: -32.063
tors. eta vs tors. theta energy: -76.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -816.186840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.186840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.186840 (E_RNA)
where:
Base-Base interactions energy: -551.760
where: short stacking energy: -240.536
Base-Backbone interact. energy: -0.883
local terms energy: -263.543920
where:
bonds (distance) C4'-P energy: -50.948
bonds (distance) P-C4' energy: -52.950
flat angles C4'-P-C4' energy: -53.466
flat angles P-C4'-P energy: -34.833
tors. eta vs tors. theta energy: -71.346
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: 10
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -679.139512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.139512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.139512 (E_RNA)
where:
Base-Base interactions energy: -435.270
where: short stacking energy: -208.283
Base-Backbone interact. energy: 1.625
local terms energy: -245.494176
where:
bonds (distance) C4'-P energy: -47.667
bonds (distance) P-C4' energy: -51.371
flat angles C4'-P-C4' energy: -48.931
flat angles P-C4'-P energy: -45.701
tors. eta vs tors. theta energy: -51.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -589.945534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.945534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.945534 (E_RNA)
where:
Base-Base interactions energy: -357.397
where: short stacking energy: -164.267
Base-Backbone interact. energy: 0.196
local terms energy: -232.744226
where:
bonds (distance) C4'-P energy: -59.232
bonds (distance) P-C4' energy: -55.945
flat angles C4'-P-C4' energy: -53.540
flat angles P-C4'-P energy: -30.440
tors. eta vs tors. theta energy: -33.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -555.958467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.958467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.958467 (E_RNA)
where:
Base-Base interactions energy: -357.044
where: short stacking energy: -156.342
Base-Backbone interact. energy: -1.102
local terms energy: -197.812286
where:
bonds (distance) C4'-P energy: -47.824
bonds (distance) P-C4' energy: -49.520
flat angles C4'-P-C4' energy: -40.475
flat angles P-C4'-P energy: -36.470
tors. eta vs tors. theta energy: -23.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -466.097342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.097342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.097342 (E_RNA)
where:
Base-Base interactions energy: -282.617
where: short stacking energy: -135.110
Base-Backbone interact. energy: -0.118
local terms energy: -183.362893
where:
bonds (distance) C4'-P energy: -52.258
bonds (distance) P-C4' energy: -52.593
flat angles C4'-P-C4' energy: -30.116
flat angles P-C4'-P energy: -25.917
tors. eta vs tors. theta energy: -22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -248.942130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.942130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.942130 (E_RNA)
where:
Base-Base interactions energy: -103.311
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.654
local terms energy: -144.977422
where:
bonds (distance) C4'-P energy: -57.977
bonds (distance) P-C4' energy: -48.819
flat angles C4'-P-C4' energy: -30.477
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: 2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1023.356505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.356505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.356505 (E_RNA)
where:
Base-Base interactions energy: -701.822
where: short stacking energy: -298.594
Base-Backbone interact. energy: -1.392
local terms energy: -320.141676
where:
bonds (distance) C4'-P energy: -52.221
bonds (distance) P-C4' energy: -60.438
flat angles C4'-P-C4' energy: -66.833
flat angles P-C4'-P energy: -47.137
tors. eta vs tors. theta energy: -93.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1010.632581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.632581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.632581 (E_RNA)
where:
Base-Base interactions energy: -707.194
where: short stacking energy: -293.408
Base-Backbone interact. energy: -2.630
local terms energy: -300.808451
where:
bonds (distance) C4'-P energy: -56.271
bonds (distance) P-C4' energy: -56.759
flat angles C4'-P-C4' energy: -62.790
flat angles P-C4'-P energy: -43.110
tors. eta vs tors. theta energy: -81.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -907.753356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.753356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.753356 (E_RNA)
where:
Base-Base interactions energy: -616.382
where: short stacking energy: -291.234
Base-Backbone interact. energy: 1.090
local terms energy: -292.460982
where:
bonds (distance) C4'-P energy: -52.911
bonds (distance) P-C4' energy: -52.007
flat angles C4'-P-C4' energy: -61.083
flat angles P-C4'-P energy: -47.059
tors. eta vs tors. theta energy: -79.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -878.018592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.018592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.018592 (E_RNA)
where:
Base-Base interactions energy: -587.168
where: short stacking energy: -251.449
Base-Backbone interact. energy: -1.355
local terms energy: -289.495879
where:
bonds (distance) C4'-P energy: -49.913
bonds (distance) P-C4' energy: -53.602
flat angles C4'-P-C4' energy: -58.414
flat angles P-C4'-P energy: -47.576
tors. eta vs tors. theta energy: -79.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -839.753823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.753823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.753823 (E_RNA)
where:
Base-Base interactions energy: -571.296
where: short stacking energy: -264.822
Base-Backbone interact. energy: -1.638
local terms energy: -266.820105
where:
bonds (distance) C4'-P energy: -46.733
bonds (distance) P-C4' energy: -43.266
flat angles C4'-P-C4' energy: -57.244
flat angles P-C4'-P energy: -38.730
tors. eta vs tors. theta energy: -80.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -709.912208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.912208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.912208 (E_RNA)
where:
Base-Base interactions energy: -483.033
where: short stacking energy: -215.722
Base-Backbone interact. energy: 0.102
local terms energy: -226.980480
where:
bonds (distance) C4'-P energy: -57.715
bonds (distance) P-C4' energy: -36.248
flat angles C4'-P-C4' energy: -52.823
flat angles P-C4'-P energy: -26.224
tors. eta vs tors. theta energy: -53.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -641.522662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -641.522662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -641.522662 (E_RNA)
where:
Base-Base interactions energy: -415.966
where: short stacking energy: -205.237
Base-Backbone interact. energy: -0.907
local terms energy: -224.649687
where:
bonds (distance) C4'-P energy: -35.102
bonds (distance) P-C4' energy: -57.948
flat angles C4'-P-C4' energy: -46.515
flat angles P-C4'-P energy: -31.162
tors. eta vs tors. theta energy: -53.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -545.619123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.619123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.619123 (E_RNA)
where:
Base-Base interactions energy: -338.781
where: short stacking energy: -162.061
Base-Backbone interact. energy: 0.025
local terms energy: -206.862899
where:
bonds (distance) C4'-P energy: -49.478
bonds (distance) P-C4' energy: -55.105
flat angles C4'-P-C4' energy: -52.351
flat angles P-C4'-P energy: -22.107
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: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -486.035257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.035257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.035257 (E_RNA)
where:
Base-Base interactions energy: -310.511
where: short stacking energy: -152.635
Base-Backbone interact. energy: -1.184
local terms energy: -174.340456
where:
bonds (distance) C4'-P energy: -40.910
bonds (distance) P-C4' energy: -40.128
flat angles C4'-P-C4' energy: -52.788
flat angles P-C4'-P energy: -20.830
tors. eta vs tors. theta energy: -19.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -238.717505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.717505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.717505 (E_RNA)
where:
Base-Base interactions energy: -76.217
where: short stacking energy: -72.321
Base-Backbone interact. energy: -0.466
local terms energy: -162.033915
where:
bonds (distance) C4'-P energy: -58.600
bonds (distance) P-C4' energy: -44.916
flat angles C4'-P-C4' energy: -40.687
flat angles P-C4'-P energy: -25.148
tors. eta vs tors. theta energy: 7.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1033.575238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.575238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.575238 (E_RNA)
where:
Base-Base interactions energy: -718.951
where: short stacking energy: -306.378
Base-Backbone interact. energy: -0.495
local terms energy: -314.128946
where:
bonds (distance) C4'-P energy: -51.835
bonds (distance) P-C4' energy: -57.248
flat angles C4'-P-C4' energy: -65.254
flat angles P-C4'-P energy: -44.801
tors. eta vs tors. theta energy: -94.990
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: 2, replica: 4
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1014.755252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.755252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.755252 (E_RNA)
where:
Base-Base interactions energy: -699.529
where: short stacking energy: -284.987
Base-Backbone interact. energy: -3.552
local terms energy: -311.674013
where:
bonds (distance) C4'-P energy: -62.449
bonds (distance) P-C4' energy: -45.806
flat angles C4'-P-C4' energy: -66.742
flat angles P-C4'-P energy: -49.722
tors. eta vs tors. theta energy: -86.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -900.075145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.075145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.075145 (E_RNA)
where:
Base-Base interactions energy: -609.827
where: short stacking energy: -289.002
Base-Backbone interact. energy: -0.280
local terms energy: -289.967347
where:
bonds (distance) C4'-P energy: -52.581
bonds (distance) P-C4' energy: -53.915
flat angles C4'-P-C4' energy: -57.262
flat angles P-C4'-P energy: -48.169
tors. eta vs tors. theta energy: -78.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -880.818898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.818898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.818898 (E_RNA)
where:
Base-Base interactions energy: -603.748
where: short stacking energy: -269.792
Base-Backbone interact. energy: 2.191
local terms energy: -279.262023
where:
bonds (distance) C4'-P energy: -54.487
bonds (distance) P-C4' energy: -43.629
flat angles C4'-P-C4' energy: -59.473
flat angles P-C4'-P energy: -40.313
tors. eta vs tors. theta energy: -81.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -799.537657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.537657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.537657 (E_RNA)
where:
Base-Base interactions energy: -534.298
where: short stacking energy: -244.728
Base-Backbone interact. energy: -0.982
local terms energy: -264.257102
where:
bonds (distance) C4'-P energy: -41.198
bonds (distance) P-C4' energy: -51.669
flat angles C4'-P-C4' energy: -61.758
flat angles P-C4'-P energy: -40.706
tors. eta vs tors. theta energy: -68.925
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: 10
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -714.302547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.302547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.302547 (E_RNA)
where:
Base-Base interactions energy: -471.091
where: short stacking energy: -202.736
Base-Backbone interact. energy: 1.448
local terms energy: -244.659195
where:
bonds (distance) C4'-P energy: -55.909
bonds (distance) P-C4' energy: -40.438
flat angles C4'-P-C4' energy: -63.133
flat angles P-C4'-P energy: -32.139
tors. eta vs tors. theta energy: -53.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -603.817266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.817266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.817266 (E_RNA)
where:
Base-Base interactions energy: -390.229
where: short stacking energy: -169.696
Base-Backbone interact. energy: -0.442
local terms energy: -213.146505
where:
bonds (distance) C4'-P energy: -46.643
bonds (distance) P-C4' energy: -59.105
flat angles C4'-P-C4' energy: -43.272
flat angles P-C4'-P energy: -32.550
tors. eta vs tors. theta energy: -31.577
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: 3
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -571.589725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.589725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.589725 (E_RNA)
where:
Base-Base interactions energy: -346.287
where: short stacking energy: -156.466
Base-Backbone interact. energy: 0.393
local terms energy: -225.695599
where:
bonds (distance) C4'-P energy: -49.678
bonds (distance) P-C4' energy: -64.883
flat angles C4'-P-C4' energy: -45.342
flat angles P-C4'-P energy: -29.581
tors. eta vs tors. theta energy: -36.210
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: 160
Temperature: 1.300000
Total energy: -461.805011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.805011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.805011 (E_RNA)
where:
Base-Base interactions energy: -265.711
where: short stacking energy: -148.443
Base-Backbone interact. energy: 0.258
local terms energy: -196.351935
where:
bonds (distance) C4'-P energy: -43.450
bonds (distance) P-C4' energy: -51.235
flat angles C4'-P-C4' energy: -39.319
flat angles P-C4'-P energy: -35.126
tors. eta vs tors. theta energy: -27.223
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: 10, replica: 6
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -260.216472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.216472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.216472 (E_RNA)
where:
Base-Base interactions energy: -92.879
where: short stacking energy: -91.000
Base-Backbone interact. energy: -0.906
local terms energy: -166.431535
where:
bonds (distance) C4'-P energy: -52.466
bonds (distance) P-C4' energy: -39.651
flat angles C4'-P-C4' energy: -38.699
flat angles P-C4'-P energy: -29.267
tors. eta vs tors. theta energy: -6.348
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: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1030.518848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.518848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.518848 (E_RNA)
where:
Base-Base interactions energy: -715.907
where: short stacking energy: -292.038
Base-Backbone interact. energy: -1.976
local terms energy: -312.636275
where:
bonds (distance) C4'-P energy: -56.984
bonds (distance) P-C4' energy: -56.842
flat angles C4'-P-C4' energy: -62.529
flat angles P-C4'-P energy: -37.696
tors. eta vs tors. theta energy: -98.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1004.287320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.287320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.287320 (E_RNA)
where:
Base-Base interactions energy: -694.190
where: short stacking energy: -296.486
Base-Backbone interact. energy: -1.026
local terms energy: -309.070640
where:
bonds (distance) C4'-P energy: -53.755
bonds (distance) P-C4' energy: -63.822
flat angles C4'-P-C4' energy: -57.279
flat angles P-C4'-P energy: -43.703
tors. eta vs tors. theta energy: -90.511
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: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -900.597012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.597012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.597012 (E_RNA)
where:
Base-Base interactions energy: -618.473
where: short stacking energy: -279.929
Base-Backbone interact. energy: -1.178
local terms energy: -280.946186
where:
bonds (distance) C4'-P energy: -46.723
bonds (distance) P-C4' energy: -54.252
flat angles C4'-P-C4' energy: -60.274
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: -77.589
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: 5
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -864.888820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.888820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.888820 (E_RNA)
where:
Base-Base interactions energy: -583.732
where: short stacking energy: -265.678
Base-Backbone interact. energy: -0.155
local terms energy: -281.001634
where:
bonds (distance) C4'-P energy: -53.051
bonds (distance) P-C4' energy: -52.721
flat angles C4'-P-C4' energy: -46.226
flat angles P-C4'-P energy: -43.966
tors. eta vs tors. theta energy: -85.038
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: 2
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -775.551720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.551720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.551720 (E_RNA)
where:
Base-Base interactions energy: -511.732
where: short stacking energy: -249.551
Base-Backbone interact. energy: -0.701
local terms energy: -263.118660
where:
bonds (distance) C4'-P energy: -48.823
bonds (distance) P-C4' energy: -44.876
flat angles C4'-P-C4' energy: -57.850
flat angles P-C4'-P energy: -40.479
tors. eta vs tors. theta energy: -71.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -682.164825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.164825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.164825 (E_RNA)
where:
Base-Base interactions energy: -430.313
where: short stacking energy: -198.571
Base-Backbone interact. energy: -0.569
local terms energy: -251.283408
where:
bonds (distance) C4'-P energy: -56.325
bonds (distance) P-C4' energy: -49.517
flat angles C4'-P-C4' energy: -51.365
flat angles P-C4'-P energy: -43.355
tors. eta vs tors. theta energy: -50.721
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: 9
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -597.719935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.719935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.719935 (E_RNA)
where:
Base-Base interactions energy: -377.016
where: short stacking energy: -186.951
Base-Backbone interact. energy: -0.763
local terms energy: -219.941595
where:
bonds (distance) C4'-P energy: -48.399
bonds (distance) P-C4' energy: -40.974
flat angles C4'-P-C4' energy: -51.037
flat angles P-C4'-P energy: -40.005
tors. eta vs tors. theta energy: -39.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -605.007396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.007396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.007396 (E_RNA)
where:
Base-Base interactions energy: -387.799
where: short stacking energy: -175.236
Base-Backbone interact. energy: -0.869
local terms energy: -216.339275
where:
bonds (distance) C4'-P energy: -38.529
bonds (distance) P-C4' energy: -56.131
flat angles C4'-P-C4' energy: -47.883
flat angles P-C4'-P energy: -36.385
tors. eta vs tors. theta energy: -37.411
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: 9, replica: 1
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -447.107871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.107871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.107871 (E_RNA)
where:
Base-Base interactions energy: -272.203
where: short stacking energy: -144.723
Base-Backbone interact. energy: 4.931
local terms energy: -179.835573
where:
bonds (distance) C4'-P energy: -41.159
bonds (distance) P-C4' energy: -44.345
flat angles C4'-P-C4' energy: -41.987
flat angles P-C4'-P energy: -25.691
tors. eta vs tors. theta energy: -26.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -242.881438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.881438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.881438 (E_RNA)
where:
Base-Base interactions energy: -74.902
where: short stacking energy: -70.358
Base-Backbone interact. energy: -0.942
local terms energy: -167.037578
where:
bonds (distance) C4'-P energy: -47.576
bonds (distance) P-C4' energy: -62.242
flat angles C4'-P-C4' energy: -31.573
flat angles P-C4'-P energy: -22.131
tors. eta vs tors. theta energy: -3.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1013.332663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.332663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.332663 (E_RNA)
where:
Base-Base interactions energy: -714.484
where: short stacking energy: -302.028
Base-Backbone interact. energy: -1.074
local terms energy: -297.774851
where:
bonds (distance) C4'-P energy: -53.682
bonds (distance) P-C4' energy: -52.277
flat angles C4'-P-C4' energy: -64.429
flat angles P-C4'-P energy: -36.584
tors. eta vs tors. theta energy: -90.803
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: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1002.080141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.080141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.080141 (E_RNA)
where:
Base-Base interactions energy: -682.798
where: short stacking energy: -291.860
Base-Backbone interact. energy: -2.024
local terms energy: -317.258096
where:
bonds (distance) C4'-P energy: -57.153
bonds (distance) P-C4' energy: -57.057
flat angles C4'-P-C4' energy: -60.670
flat angles P-C4'-P energy: -50.648
tors. eta vs tors. theta energy: -91.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -922.118683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.118683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.118683 (E_RNA)
where:
Base-Base interactions energy: -624.970
where: short stacking energy: -275.079
Base-Backbone interact. energy: -1.828
local terms energy: -295.320772
where:
bonds (distance) C4'-P energy: -49.508
bonds (distance) P-C4' energy: -55.658
flat angles C4'-P-C4' energy: -65.746
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -83.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -849.438239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.438239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.438239 (E_RNA)
where:
Base-Base interactions energy: -576.011
where: short stacking energy: -253.523
Base-Backbone interact. energy: -0.645
local terms energy: -272.781639
where:
bonds (distance) C4'-P energy: -40.163
bonds (distance) P-C4' energy: -57.039
flat angles C4'-P-C4' energy: -62.060
flat angles P-C4'-P energy: -37.518
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: 5, replica: 2
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -787.161200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.161200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.161200 (E_RNA)
where:
Base-Base interactions energy: -522.300
where: short stacking energy: -223.676
Base-Backbone interact. energy: 1.947
local terms energy: -266.807906
where:
bonds (distance) C4'-P energy: -54.433
bonds (distance) P-C4' energy: -47.202
flat angles C4'-P-C4' energy: -53.944
flat angles P-C4'-P energy: -38.446
tors. eta vs tors. theta energy: -72.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -744.023962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.023962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.023962 (E_RNA)
where:
Base-Base interactions energy: -485.887
where: short stacking energy: -208.544
Base-Backbone interact. energy: -2.116
local terms energy: -256.020914
where:
bonds (distance) C4'-P energy: -54.877
bonds (distance) P-C4' energy: -59.876
flat angles C4'-P-C4' energy: -46.220
flat angles P-C4'-P energy: -39.456
tors. eta vs tors. theta energy: -55.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -678.263210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.263210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.263210 (E_RNA)
where:
Base-Base interactions energy: -452.879
where: short stacking energy: -198.990
Base-Backbone interact. energy: -0.017
local terms energy: -225.366854
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -48.909
flat angles C4'-P-C4' energy: -49.943
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -52.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -590.009708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.009708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.009708 (E_RNA)
where:
Base-Base interactions energy: -354.447
where: short stacking energy: -167.188
Base-Backbone interact. energy: -1.735
local terms energy: -233.827643
where:
bonds (distance) C4'-P energy: -47.458
bonds (distance) P-C4' energy: -61.423
flat angles C4'-P-C4' energy: -47.437
flat angles P-C4'-P energy: -29.233
tors. eta vs tors. theta energy: -48.276
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: 1
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -424.918644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.918644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.918644 (E_RNA)
where:
Base-Base interactions energy: -251.519
where: short stacking energy: -124.436
Base-Backbone interact. energy: 3.762
local terms energy: -177.161499
where:
bonds (distance) C4'-P energy: -45.455
bonds (distance) P-C4' energy: -52.309
flat angles C4'-P-C4' energy: -40.668
flat angles P-C4'-P energy: -31.926
tors. eta vs tors. theta energy: -6.803
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: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -266.434697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.434697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.434697 (E_RNA)
where:
Base-Base interactions energy: -114.694
where: short stacking energy: -77.577
Base-Backbone interact. energy: 1.317
local terms energy: -153.057515
where:
bonds (distance) C4'-P energy: -44.539
bonds (distance) P-C4' energy: -55.087
flat angles C4'-P-C4' energy: -39.765
flat angles P-C4'-P energy: -27.493
tors. eta vs tors. theta energy: 13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1025.691569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.691569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.691569 (E_RNA)
where:
Base-Base interactions energy: -698.952
where: short stacking energy: -308.364
Base-Backbone interact. energy: -0.866
local terms energy: -325.872967
where:
bonds (distance) C4'-P energy: -55.843
bonds (distance) P-C4' energy: -55.348
flat angles C4'-P-C4' energy: -69.914
flat angles P-C4'-P energy: -50.915
tors. eta vs tors. theta energy: -93.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1004.521023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.521023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.521023 (E_RNA)
where:
Base-Base interactions energy: -690.493
where: short stacking energy: -299.846
Base-Backbone interact. energy: -1.844
local terms energy: -312.183658
where:
bonds (distance) C4'-P energy: -42.380
bonds (distance) P-C4' energy: -64.789
flat angles C4'-P-C4' energy: -67.389
flat angles P-C4'-P energy: -40.656
tors. eta vs tors. theta energy: -96.970
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: 163
Temperature: 1.000000
Total energy: -915.326368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.326368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.326368 (E_RNA)
where:
Base-Base interactions energy: -619.346
where: short stacking energy: -293.269
Base-Backbone interact. energy: -0.070
local terms energy: -295.910403
where:
bonds (distance) C4'-P energy: -50.130
bonds (distance) P-C4' energy: -52.322
flat angles C4'-P-C4' energy: -66.032
flat angles P-C4'-P energy: -38.436
tors. eta vs tors. theta energy: -88.991
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: 5
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -891.023062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.023062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.023062 (E_RNA)
where:
Base-Base interactions energy: -619.631
where: short stacking energy: -265.617
Base-Backbone interact. energy: 0.537
local terms energy: -271.928856
where:
bonds (distance) C4'-P energy: -55.803
bonds (distance) P-C4' energy: -43.800
flat angles C4'-P-C4' energy: -60.367
flat angles P-C4'-P energy: -35.567
tors. eta vs tors. theta energy: -76.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -779.806716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.806716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.806716 (E_RNA)
where:
Base-Base interactions energy: -510.692
where: short stacking energy: -224.316
Base-Backbone interact. energy: -2.719
local terms energy: -266.395570
where:
bonds (distance) C4'-P energy: -49.958
bonds (distance) P-C4' energy: -63.289
flat angles C4'-P-C4' energy: -53.268
flat angles P-C4'-P energy: -34.266
tors. eta vs tors. theta energy: -65.614
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: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -688.404965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.404965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.404965 (E_RNA)
where:
Base-Base interactions energy: -441.166
where: short stacking energy: -199.261
Base-Backbone interact. energy: -2.905
local terms energy: -244.334491
where:
bonds (distance) C4'-P energy: -48.568
bonds (distance) P-C4' energy: -50.340
flat angles C4'-P-C4' energy: -52.537
flat angles P-C4'-P energy: -42.011
tors. eta vs tors. theta energy: -50.879
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: 163
Temperature: 1.200000
Total energy: -638.744418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.744418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.744418 (E_RNA)
where:
Base-Base interactions energy: -413.090
where: short stacking energy: -182.377
Base-Backbone interact. energy: 0.306
local terms energy: -225.960338
where:
bonds (distance) C4'-P energy: -44.306
bonds (distance) P-C4' energy: -58.909
flat angles C4'-P-C4' energy: -57.644
flat angles P-C4'-P energy: -26.505
tors. eta vs tors. theta energy: -38.596
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: 9
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -591.350327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.350327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.350327 (E_RNA)
where:
Base-Base interactions energy: -374.460
where: short stacking energy: -183.576
Base-Backbone interact. energy: -2.642
local terms energy: -214.248540
where:
bonds (distance) C4'-P energy: -39.899
bonds (distance) P-C4' energy: -53.596
flat angles C4'-P-C4' energy: -54.244
flat angles P-C4'-P energy: -20.673
tors. eta vs tors. theta energy: -45.835
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: 1
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -445.137370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.137370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.137370 (E_RNA)
where:
Base-Base interactions energy: -247.606
where: short stacking energy: -120.394
Base-Backbone interact. energy: -2.186
local terms energy: -195.345005
where:
bonds (distance) C4'-P energy: -49.727
bonds (distance) P-C4' energy: -44.034
flat angles C4'-P-C4' energy: -50.391
flat angles P-C4'-P energy: -31.157
tors. eta vs tors. theta energy: -20.037
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: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -241.794107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.794107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.794107 (E_RNA)
where:
Base-Base interactions energy: -80.845
where: short stacking energy: -72.611
Base-Backbone interact. energy: 0.835
local terms energy: -161.783927
where:
bonds (distance) C4'-P energy: -47.395
bonds (distance) P-C4' energy: -51.805
flat angles C4'-P-C4' energy: -48.079
flat angles P-C4'-P energy: -22.213
tors. eta vs tors. theta energy: 7.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1032.421891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.421891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.421891 (E_RNA)
where:
Base-Base interactions energy: -706.628
where: short stacking energy: -302.234
Base-Backbone interact. energy: -0.384
local terms energy: -325.410700
where:
bonds (distance) C4'-P energy: -62.372
bonds (distance) P-C4' energy: -55.021
flat angles C4'-P-C4' energy: -64.683
flat angles P-C4'-P energy: -44.646
tors. eta vs tors. theta energy: -98.690
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: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -994.613878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.613878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.613878 (E_RNA)
where:
Base-Base interactions energy: -689.230
where: short stacking energy: -282.124
Base-Backbone interact. energy: -1.799
local terms energy: -303.584392
where:
bonds (distance) C4'-P energy: -47.481
bonds (distance) P-C4' energy: -53.666
flat angles C4'-P-C4' energy: -64.872
flat angles P-C4'-P energy: -47.361
tors. eta vs tors. theta energy: -90.204
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: 164
Temperature: 1.000000
Total energy: -899.650943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.650943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.650943 (E_RNA)
where:
Base-Base interactions energy: -621.473
where: short stacking energy: -276.921
Base-Backbone interact. energy: -1.463
local terms energy: -276.715511
where:
bonds (distance) C4'-P energy: -50.985
bonds (distance) P-C4' energy: -55.367
flat angles C4'-P-C4' energy: -55.436
flat angles P-C4'-P energy: -43.696
tors. eta vs tors. theta energy: -71.231
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: 5
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -865.920456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.920456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.920456 (E_RNA)
where:
Base-Base interactions energy: -579.233
where: short stacking energy: -265.368
Base-Backbone interact. energy: -1.876
local terms energy: -284.811401
where:
bonds (distance) C4'-P energy: -52.496
bonds (distance) P-C4' energy: -60.601
flat angles C4'-P-C4' energy: -53.752
flat angles P-C4'-P energy: -38.790
tors. eta vs tors. theta energy: -79.171
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: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -728.483756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.483756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.483756 (E_RNA)
where:
Base-Base interactions energy: -476.326
where: short stacking energy: -218.127
Base-Backbone interact. energy: -0.761
local terms energy: -251.396547
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -46.033
flat angles C4'-P-C4' energy: -57.647
flat angles P-C4'-P energy: -43.015
tors. eta vs tors. theta energy: -60.344
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: 2
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -723.619712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.619712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.619712 (E_RNA)
where:
Base-Base interactions energy: -463.610
where: short stacking energy: -228.278
Base-Backbone interact. energy: -1.796
local terms energy: -258.213778
where:
bonds (distance) C4'-P energy: -51.416
bonds (distance) P-C4' energy: -52.932
flat angles C4'-P-C4' energy: -55.442
flat angles P-C4'-P energy: -36.401
tors. eta vs tors. theta energy: -62.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -639.877330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.877330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.877330 (E_RNA)
where:
Base-Base interactions energy: -418.872
where: short stacking energy: -185.057
Base-Backbone interact. energy: -0.087
local terms energy: -220.917987
where:
bonds (distance) C4'-P energy: -51.548
bonds (distance) P-C4' energy: -44.391
flat angles C4'-P-C4' energy: -51.164
flat angles P-C4'-P energy: -33.209
tors. eta vs tors. theta energy: -40.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -576.916963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.916963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.916963 (E_RNA)
where:
Base-Base interactions energy: -375.048
where: short stacking energy: -157.297
Base-Backbone interact. energy: -0.840
local terms energy: -201.029526
where:
bonds (distance) C4'-P energy: -55.525
bonds (distance) P-C4' energy: -34.423
flat angles C4'-P-C4' energy: -50.188
flat angles P-C4'-P energy: -34.631
tors. eta vs tors. theta energy: -26.263
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: 1
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -497.612487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.612487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.612487 (E_RNA)
where:
Base-Base interactions energy: -306.617
where: short stacking energy: -145.508
Base-Backbone interact. energy: 1.803
local terms energy: -192.798645
where:
bonds (distance) C4'-P energy: -44.378
bonds (distance) P-C4' energy: -48.839
flat angles C4'-P-C4' energy: -43.445
flat angles P-C4'-P energy: -35.193
tors. eta vs tors. theta energy: -20.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -249.799185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.799185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.799185 (E_RNA)
where:
Base-Base interactions energy: -100.480
where: short stacking energy: -98.728
Base-Backbone interact. energy: 2.459
local terms energy: -151.778437
where:
bonds (distance) C4'-P energy: -45.626
bonds (distance) P-C4' energy: -50.241
flat angles C4'-P-C4' energy: -31.507
flat angles P-C4'-P energy: -27.204
tors. eta vs tors. theta energy: 2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1033.699356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.699356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.699356 (E_RNA)
where:
Base-Base interactions energy: -710.698
where: short stacking energy: -324.354
Base-Backbone interact. energy: -1.642
local terms energy: -321.359298
where:
bonds (distance) C4'-P energy: -56.124
bonds (distance) P-C4' energy: -57.190
flat angles C4'-P-C4' energy: -64.986
flat angles P-C4'-P energy: -48.843
tors. eta vs tors. theta energy: -94.217
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: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1000.776955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.776955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.776955 (E_RNA)
where:
Base-Base interactions energy: -697.447
where: short stacking energy: -287.226
Base-Backbone interact. energy: -1.419
local terms energy: -301.910959
where:
bonds (distance) C4'-P energy: -57.601
bonds (distance) P-C4' energy: -62.739
flat angles C4'-P-C4' energy: -60.662
flat angles P-C4'-P energy: -36.867
tors. eta vs tors. theta energy: -84.043
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: 165
Temperature: 1.000000
Total energy: -906.763911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.763911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.763911 (E_RNA)
where:
Base-Base interactions energy: -604.641
where: short stacking energy: -272.060
Base-Backbone interact. energy: 0.035
local terms energy: -302.158426
where:
bonds (distance) C4'-P energy: -53.085
bonds (distance) P-C4' energy: -55.955
flat angles C4'-P-C4' energy: -62.628
flat angles P-C4'-P energy: -49.026
tors. eta vs tors. theta energy: -81.465
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: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -873.486249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.486249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.486249 (E_RNA)
where:
Base-Base interactions energy: -595.394
where: short stacking energy: -258.779
Base-Backbone interact. energy: -1.562
local terms energy: -276.530119
where:
bonds (distance) C4'-P energy: -50.667
bonds (distance) P-C4' energy: -55.511
flat angles C4'-P-C4' energy: -56.069
flat angles P-C4'-P energy: -37.246
tors. eta vs tors. theta energy: -77.037
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: 3
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -771.217254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.217254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.217254 (E_RNA)
where:
Base-Base interactions energy: -522.599
where: short stacking energy: -223.749
Base-Backbone interact. energy: -0.891
local terms energy: -247.727248
where:
bonds (distance) C4'-P energy: -40.905
bonds (distance) P-C4' energy: -52.394
flat angles C4'-P-C4' energy: -49.689
flat angles P-C4'-P energy: -38.810
tors. eta vs tors. theta energy: -65.929
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: 6, replica: 2
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -730.451041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.451041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.451041 (E_RNA)
where:
Base-Base interactions energy: -478.330
where: short stacking energy: -211.519
Base-Backbone interact. energy: 0.464
local terms energy: -252.585061
where:
bonds (distance) C4'-P energy: -57.801
bonds (distance) P-C4' energy: -52.085
flat angles C4'-P-C4' energy: -54.492
flat angles P-C4'-P energy: -38.033
tors. eta vs tors. theta energy: -50.174
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: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -625.117774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.117774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.117774 (E_RNA)
where:
Base-Base interactions energy: -396.660
where: short stacking energy: -192.365
Base-Backbone interact. energy: 2.985
local terms energy: -231.443101
where:
bonds (distance) C4'-P energy: -54.147
bonds (distance) P-C4' energy: -50.209
flat angles C4'-P-C4' energy: -46.790
flat angles P-C4'-P energy: -38.747
tors. eta vs tors. theta energy: -41.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -560.468517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.468517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.468517 (E_RNA)
where:
Base-Base interactions energy: -355.834
where: short stacking energy: -164.717
Base-Backbone interact. energy: 0.354
local terms energy: -204.987952
where:
bonds (distance) C4'-P energy: -44.660
bonds (distance) P-C4' energy: -43.810
flat angles C4'-P-C4' energy: -59.005
flat angles P-C4'-P energy: -22.924
tors. eta vs tors. theta energy: -34.589
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: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -488.269216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.269216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.269216 (E_RNA)
where:
Base-Base interactions energy: -300.329
where: short stacking energy: -137.811
Base-Backbone interact. energy: -0.062
local terms energy: -187.877896
where:
bonds (distance) C4'-P energy: -48.827
bonds (distance) P-C4' energy: -47.580
flat angles C4'-P-C4' energy: -52.832
flat angles P-C4'-P energy: -20.016
tors. eta vs tors. theta energy: -18.623
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: 6
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -250.847968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.847968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.847968 (E_RNA)
where:
Base-Base interactions energy: -94.617
where: short stacking energy: -94.577
Base-Backbone interact. energy: 1.456
local terms energy: -157.687249
where:
bonds (distance) C4'-P energy: -45.533
bonds (distance) P-C4' energy: -41.383
flat angles C4'-P-C4' energy: -42.016
flat angles P-C4'-P energy: -26.669
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1018.911505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.911505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.911505 (E_RNA)
where:
Base-Base interactions energy: -694.283
where: short stacking energy: -297.245
Base-Backbone interact. energy: -0.750
local terms energy: -323.878009
where:
bonds (distance) C4'-P energy: -51.776
bonds (distance) P-C4' energy: -64.298
flat angles C4'-P-C4' energy: -62.259
flat angles P-C4'-P energy: -54.784
tors. eta vs tors. theta energy: -90.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -988.459274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.459274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.459274 (E_RNA)
where:
Base-Base interactions energy: -697.510
where: short stacking energy: -292.809
Base-Backbone interact. energy: -0.647
local terms energy: -290.302602
where:
bonds (distance) C4'-P energy: -42.864
bonds (distance) P-C4' energy: -49.991
flat angles C4'-P-C4' energy: -60.451
flat angles P-C4'-P energy: -44.687
tors. eta vs tors. theta energy: -92.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -910.306301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.306301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.306301 (E_RNA)
where:
Base-Base interactions energy: -623.645
where: short stacking energy: -279.262
Base-Backbone interact. energy: -0.307
local terms energy: -286.354174
where:
bonds (distance) C4'-P energy: -56.446
bonds (distance) P-C4' energy: -57.222
flat angles C4'-P-C4' energy: -58.000
flat angles P-C4'-P energy: -35.337
tors. eta vs tors. theta energy: -79.349
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: 166
Temperature: 1.050000
Total energy: -846.665491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.665491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.665491 (E_RNA)
where:
Base-Base interactions energy: -579.586
where: short stacking energy: -251.712
Base-Backbone interact. energy: 1.843
local terms energy: -268.922418
where:
bonds (distance) C4'-P energy: -48.430
bonds (distance) P-C4' energy: -47.799
flat angles C4'-P-C4' energy: -57.957
flat angles P-C4'-P energy: -42.368
tors. eta vs tors. theta energy: -72.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -822.418747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.418747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.418747 (E_RNA)
where:
Base-Base interactions energy: -551.361
where: short stacking energy: -242.307
Base-Backbone interact. energy: -0.188
local terms energy: -270.869610
where:
bonds (distance) C4'-P energy: -50.543
bonds (distance) P-C4' energy: -57.799
flat angles C4'-P-C4' energy: -60.674
flat angles P-C4'-P energy: -32.266
tors. eta vs tors. theta energy: -69.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -714.901914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.901914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.901914 (E_RNA)
where:
Base-Base interactions energy: -465.563
where: short stacking energy: -217.473
Base-Backbone interact. energy: -1.101
local terms energy: -248.237757
where:
bonds (distance) C4'-P energy: -62.152
bonds (distance) P-C4' energy: -48.039
flat angles C4'-P-C4' energy: -49.400
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -57.504
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: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -658.107653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.107653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.107653 (E_RNA)
where:
Base-Base interactions energy: -424.135
where: short stacking energy: -201.191
Base-Backbone interact. energy: 2.733
local terms energy: -236.705697
where:
bonds (distance) C4'-P energy: -47.225
bonds (distance) P-C4' energy: -46.730
flat angles C4'-P-C4' energy: -54.390
flat angles P-C4'-P energy: -35.537
tors. eta vs tors. theta energy: -52.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -553.169984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.169984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.169984 (E_RNA)
where:
Base-Base interactions energy: -342.850
where: short stacking energy: -138.543
Base-Backbone interact. energy: 1.733
local terms energy: -212.053092
where:
bonds (distance) C4'-P energy: -44.141
bonds (distance) P-C4' energy: -54.102
flat angles C4'-P-C4' energy: -53.090
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: -27.293
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: 166
Temperature: 1.300000
Total energy: -524.686539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.686539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.686539 (E_RNA)
where:
Base-Base interactions energy: -318.044
where: short stacking energy: -169.978
Base-Backbone interact. energy: -0.549
local terms energy: -206.093544
where:
bonds (distance) C4'-P energy: -51.546
bonds (distance) P-C4' energy: -54.668
flat angles C4'-P-C4' energy: -51.393
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -37.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -245.262880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.262880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.262880 (E_RNA)
where:
Base-Base interactions energy: -78.954
where: short stacking energy: -71.835
Base-Backbone interact. energy: 0.190
local terms energy: -166.498935
where:
bonds (distance) C4'-P energy: -51.289
bonds (distance) P-C4' energy: -45.594
flat angles C4'-P-C4' energy: -40.308
flat angles P-C4'-P energy: -30.718
tors. eta vs tors. theta energy: 1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1012.036303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.036303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.036303 (E_RNA)
where:
Base-Base interactions energy: -704.493
where: short stacking energy: -290.384
Base-Backbone interact. energy: -0.340
local terms energy: -307.203731
where:
bonds (distance) C4'-P energy: -52.144
bonds (distance) P-C4' energy: -61.198
flat angles C4'-P-C4' energy: -60.757
flat angles P-C4'-P energy: -46.187
tors. eta vs tors. theta energy: -86.918
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: 2, replica: 7
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1018.069414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.069414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.069414 (E_RNA)
where:
Base-Base interactions energy: -700.438
where: short stacking energy: -305.790
Base-Backbone interact. energy: -1.843
local terms energy: -315.788999
where:
bonds (distance) C4'-P energy: -57.559
bonds (distance) P-C4' energy: -55.976
flat angles C4'-P-C4' energy: -66.880
flat angles P-C4'-P energy: -36.965
tors. eta vs tors. theta energy: -98.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -913.853072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.853072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.853072 (E_RNA)
where:
Base-Base interactions energy: -628.292
where: short stacking energy: -281.773
Base-Backbone interact. energy: -1.687
local terms energy: -283.874069
where:
bonds (distance) C4'-P energy: -54.788
bonds (distance) P-C4' energy: -50.591
flat angles C4'-P-C4' energy: -56.052
flat angles P-C4'-P energy: -39.688
tors. eta vs tors. theta energy: -82.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -858.452074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.452074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.452074 (E_RNA)
where:
Base-Base interactions energy: -570.075
where: short stacking energy: -237.372
Base-Backbone interact. energy: -0.600
local terms energy: -287.776782
where:
bonds (distance) C4'-P energy: -59.237
bonds (distance) P-C4' energy: -49.773
flat angles C4'-P-C4' energy: -67.929
flat angles P-C4'-P energy: -43.923
tors. eta vs tors. theta energy: -66.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -833.132414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.132414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.132414 (E_RNA)
where:
Base-Base interactions energy: -571.060
where: short stacking energy: -242.921
Base-Backbone interact. energy: -1.774
local terms energy: -260.298021
where:
bonds (distance) C4'-P energy: -52.763
bonds (distance) P-C4' energy: -52.841
flat angles C4'-P-C4' energy: -51.036
flat angles P-C4'-P energy: -33.753
tors. eta vs tors. theta energy: -69.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -736.034580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.034580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.034580 (E_RNA)
where:
Base-Base interactions energy: -469.837
where: short stacking energy: -235.328
Base-Backbone interact. energy: -1.461
local terms energy: -264.736715
where:
bonds (distance) C4'-P energy: -48.416
bonds (distance) P-C4' energy: -50.038
flat angles C4'-P-C4' energy: -61.820
flat angles P-C4'-P energy: -29.485
tors. eta vs tors. theta energy: -74.978
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: 167
Temperature: 1.200000
Total energy: -655.685013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.685013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.685013 (E_RNA)
where:
Base-Base interactions energy: -407.597
where: short stacking energy: -179.150
Base-Backbone interact. energy: -2.596
local terms energy: -245.491960
where:
bonds (distance) C4'-P energy: -59.799
bonds (distance) P-C4' energy: -50.278
flat angles C4'-P-C4' energy: -50.992
flat angles P-C4'-P energy: -34.775
tors. eta vs tors. theta energy: -49.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -567.791118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.791118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.791118 (E_RNA)
where:
Base-Base interactions energy: -370.038
where: short stacking energy: -180.454
Base-Backbone interact. energy: 2.779
local terms energy: -200.532446
where:
bonds (distance) C4'-P energy: -32.578
bonds (distance) P-C4' energy: -54.139
flat angles C4'-P-C4' energy: -54.858
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -36.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -498.792269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.792269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.792269 (E_RNA)
where:
Base-Base interactions energy: -312.194
where: short stacking energy: -143.082
Base-Backbone interact. energy: 2.328
local terms energy: -188.927058
where:
bonds (distance) C4'-P energy: -42.901
bonds (distance) P-C4' energy: -57.425
flat angles C4'-P-C4' energy: -46.458
flat angles P-C4'-P energy: -20.602
tors. eta vs tors. theta energy: -21.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -250.836906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.836906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.836906 (E_RNA)
where:
Base-Base interactions energy: -94.382
where: short stacking energy: -87.105
Base-Backbone interact. energy: 2.317
local terms energy: -158.772178
where:
bonds (distance) C4'-P energy: -37.201
bonds (distance) P-C4' energy: -41.632
flat angles C4'-P-C4' energy: -52.558
flat angles P-C4'-P energy: -26.477
tors. eta vs tors. theta energy: -0.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1033.230547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.230547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.230547 (E_RNA)
where:
Base-Base interactions energy: -725.376
where: short stacking energy: -302.067
Base-Backbone interact. energy: -0.455
local terms energy: -307.399832
where:
bonds (distance) C4'-P energy: -63.999
bonds (distance) P-C4' energy: -49.690
flat angles C4'-P-C4' energy: -62.283
flat angles P-C4'-P energy: -46.027
tors. eta vs tors. theta energy: -85.400
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: 168
Temperature: 0.950000
Total energy: -980.841718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.841718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.841718 (E_RNA)
where:
Base-Base interactions energy: -671.076
where: short stacking energy: -283.818
Base-Backbone interact. energy: -0.729
local terms energy: -309.036533
where:
bonds (distance) C4'-P energy: -64.313
bonds (distance) P-C4' energy: -51.515
flat angles C4'-P-C4' energy: -64.491
flat angles P-C4'-P energy: -41.127
tors. eta vs tors. theta energy: -87.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -923.057322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.057322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.057322 (E_RNA)
where:
Base-Base interactions energy: -629.788
where: short stacking energy: -271.489
Base-Backbone interact. energy: -2.315
local terms energy: -290.953930
where:
bonds (distance) C4'-P energy: -50.771
bonds (distance) P-C4' energy: -55.088
flat angles C4'-P-C4' energy: -57.629
flat angles P-C4'-P energy: -46.058
tors. eta vs tors. theta energy: -81.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -847.660952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.660952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.660952 (E_RNA)
where:
Base-Base interactions energy: -593.917
where: short stacking energy: -251.276
Base-Backbone interact. energy: 5.574
local terms energy: -259.318206
where:
bonds (distance) C4'-P energy: -59.012
bonds (distance) P-C4' energy: -37.541
flat angles C4'-P-C4' energy: -53.513
flat angles P-C4'-P energy: -40.733
tors. eta vs tors. theta energy: -68.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -804.383193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.383193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.383193 (E_RNA)
where:
Base-Base interactions energy: -548.700
where: short stacking energy: -239.907
Base-Backbone interact. energy: -0.146
local terms energy: -255.537611
where:
bonds (distance) C4'-P energy: -44.642
bonds (distance) P-C4' energy: -58.135
flat angles C4'-P-C4' energy: -56.254
flat angles P-C4'-P energy: -36.408
tors. eta vs tors. theta energy: -60.098
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: 2
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -737.426921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.426921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.426921 (E_RNA)
where:
Base-Base interactions energy: -472.273
where: short stacking energy: -233.606
Base-Backbone interact. energy: -1.406
local terms energy: -263.747146
where:
bonds (distance) C4'-P energy: -46.072
bonds (distance) P-C4' energy: -60.887
flat angles C4'-P-C4' energy: -51.585
flat angles P-C4'-P energy: -28.753
tors. eta vs tors. theta energy: -76.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -621.054207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.054207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.054207 (E_RNA)
where:
Base-Base interactions energy: -404.575
where: short stacking energy: -160.934
Base-Backbone interact. energy: -0.256
local terms energy: -216.223974
where:
bonds (distance) C4'-P energy: -47.419
bonds (distance) P-C4' energy: -53.870
flat angles C4'-P-C4' energy: -41.356
flat angles P-C4'-P energy: -40.762
tors. eta vs tors. theta energy: -32.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -565.810476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.810476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.810476 (E_RNA)
where:
Base-Base interactions energy: -353.622
where: short stacking energy: -177.653
Base-Backbone interact. energy: -0.656
local terms energy: -211.532040
where:
bonds (distance) C4'-P energy: -37.806
bonds (distance) P-C4' energy: -55.238
flat angles C4'-P-C4' energy: -46.752
flat angles P-C4'-P energy: -28.398
tors. eta vs tors. theta energy: -43.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -474.389621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.389621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.389621 (E_RNA)
where:
Base-Base interactions energy: -283.826
where: short stacking energy: -123.026
Base-Backbone interact. energy: -0.835
local terms energy: -189.729072
where:
bonds (distance) C4'-P energy: -35.934
bonds (distance) P-C4' energy: -48.714
flat angles C4'-P-C4' energy: -48.512
flat angles P-C4'-P energy: -25.028
tors. eta vs tors. theta energy: -31.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -240.994894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.994894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.994894 (E_RNA)
where:
Base-Base interactions energy: -95.952
where: short stacking energy: -76.091
Base-Backbone interact. energy: 0.070
local terms energy: -145.112371
where:
bonds (distance) C4'-P energy: -41.040
bonds (distance) P-C4' energy: -45.840
flat angles C4'-P-C4' energy: -38.645
flat angles P-C4'-P energy: -18.291
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1028.718605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.718605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.718605 (E_RNA)
where:
Base-Base interactions energy: -707.430
where: short stacking energy: -315.092
Base-Backbone interact. energy: -1.082
local terms energy: -320.206224
where:
bonds (distance) C4'-P energy: -61.303
bonds (distance) P-C4' energy: -58.295
flat angles C4'-P-C4' energy: -64.607
flat angles P-C4'-P energy: -47.629
tors. eta vs tors. theta energy: -88.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -942.596236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.596236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.596236 (E_RNA)
where:
Base-Base interactions energy: -639.650
where: short stacking energy: -282.621
Base-Backbone interact. energy: -0.321
local terms energy: -302.625043
where:
bonds (distance) C4'-P energy: -56.583
bonds (distance) P-C4' energy: -62.706
flat angles C4'-P-C4' energy: -61.954
flat angles P-C4'-P energy: -43.103
tors. eta vs tors. theta energy: -78.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -967.419173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.419173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.419173 (E_RNA)
where:
Base-Base interactions energy: -664.158
where: short stacking energy: -279.985
Base-Backbone interact. energy: -1.105
local terms energy: -302.156361
where:
bonds (distance) C4'-P energy: -63.784
bonds (distance) P-C4' energy: -56.974
flat angles C4'-P-C4' energy: -58.848
flat angles P-C4'-P energy: -33.207
tors. eta vs tors. theta energy: -89.343
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: 169
Temperature: 1.050000
Total energy: -835.738628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.738628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.738628 (E_RNA)
where:
Base-Base interactions energy: -563.646
where: short stacking energy: -250.459
Base-Backbone interact. energy: -0.875
local terms energy: -271.217272
where:
bonds (distance) C4'-P energy: -54.092
bonds (distance) P-C4' energy: -48.267
flat angles C4'-P-C4' energy: -57.466
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -69.756
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: 169
Temperature: 1.100000
Total energy: -811.910753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.910753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.910753 (E_RNA)
where:
Base-Base interactions energy: -556.920
where: short stacking energy: -250.778
Base-Backbone interact. energy: -1.606
local terms energy: -253.385173
where:
bonds (distance) C4'-P energy: -48.529
bonds (distance) P-C4' energy: -53.331
flat angles C4'-P-C4' energy: -48.550
flat angles P-C4'-P energy: -27.236
tors. eta vs tors. theta energy: -75.740
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: 2
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -738.028627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.028627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.028627 (E_RNA)
where:
Base-Base interactions energy: -497.025
where: short stacking energy: -234.631
Base-Backbone interact. energy: 0.444
local terms energy: -241.447551
where:
bonds (distance) C4'-P energy: -41.242
bonds (distance) P-C4' energy: -41.962
flat angles C4'-P-C4' energy: -55.474
flat angles P-C4'-P energy: -36.205
tors. eta vs tors. theta energy: -66.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -682.851197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.851197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.851197 (E_RNA)
where:
Base-Base interactions energy: -453.987
where: short stacking energy: -199.531
Base-Backbone interact. energy: 0.799
local terms energy: -229.663872
where:
bonds (distance) C4'-P energy: -34.410
bonds (distance) P-C4' energy: -53.351
flat angles C4'-P-C4' energy: -55.963
flat angles P-C4'-P energy: -38.285
tors. eta vs tors. theta energy: -47.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -583.756745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -583.756745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -583.756745 (E_RNA)
where:
Base-Base interactions energy: -357.576
where: short stacking energy: -168.670
Base-Backbone interact. energy: -0.774
local terms energy: -225.406897
where:
bonds (distance) C4'-P energy: -51.050
bonds (distance) P-C4' energy: -56.099
flat angles C4'-P-C4' energy: -43.900
flat angles P-C4'-P energy: -31.593
tors. eta vs tors. theta energy: -42.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -498.104761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.104761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.104761 (E_RNA)
where:
Base-Base interactions energy: -316.254
where: short stacking energy: -148.039
Base-Backbone interact. energy: 1.390
local terms energy: -183.241541
where:
bonds (distance) C4'-P energy: -39.277
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -41.993
flat angles P-C4'-P energy: -32.347
tors. eta vs tors. theta energy: -33.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -262.882817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.882817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.882817 (E_RNA)
where:
Base-Base interactions energy: -85.027
where: short stacking energy: -78.196
Base-Backbone interact. energy: -1.016
local terms energy: -176.839471
where:
bonds (distance) C4'-P energy: -52.209
bonds (distance) P-C4' energy: -52.796
flat angles C4'-P-C4' energy: -52.612
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -0.637
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: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1028.102516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.102516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.102516 (E_RNA)
where:
Base-Base interactions energy: -695.037
where: short stacking energy: -299.812
Base-Backbone interact. energy: -3.624
local terms energy: -329.442355
where:
bonds (distance) C4'-P energy: -55.293
bonds (distance) P-C4' energy: -62.686
flat angles C4'-P-C4' energy: -66.614
flat angles P-C4'-P energy: -47.070
tors. eta vs tors. theta energy: -97.780
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: 170
Temperature: 0.950000
Total energy: -950.973850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.973850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.973850 (E_RNA)
where:
Base-Base interactions energy: -646.464
where: short stacking energy: -290.001
Base-Backbone interact. energy: -1.083
local terms energy: -303.426610
where:
bonds (distance) C4'-P energy: -56.239
bonds (distance) P-C4' energy: -60.626
flat angles C4'-P-C4' energy: -61.729
flat angles P-C4'-P energy: -38.843
tors. eta vs tors. theta energy: -85.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -958.277677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.277677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.277677 (E_RNA)
where:
Base-Base interactions energy: -657.121
where: short stacking energy: -274.150
Base-Backbone interact. energy: -0.361
local terms energy: -300.795687
where:
bonds (distance) C4'-P energy: -64.887
bonds (distance) P-C4' energy: -51.761
flat angles C4'-P-C4' energy: -54.964
flat angles P-C4'-P energy: -40.134
tors. eta vs tors. theta energy: -89.049
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: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -820.999136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.999136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.999136 (E_RNA)
where:
Base-Base interactions energy: -567.119
where: short stacking energy: -242.286
Base-Backbone interact. energy: 0.873
local terms energy: -254.753447
where:
bonds (distance) C4'-P energy: -53.807
bonds (distance) P-C4' energy: -49.065
flat angles C4'-P-C4' energy: -52.006
flat angles P-C4'-P energy: -35.140
tors. eta vs tors. theta energy: -64.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -795.482746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.482746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.482746 (E_RNA)
where:
Base-Base interactions energy: -536.776
where: short stacking energy: -247.404
Base-Backbone interact. energy: -0.728
local terms energy: -257.978293
where:
bonds (distance) C4'-P energy: -38.484
bonds (distance) P-C4' energy: -52.789
flat angles C4'-P-C4' energy: -60.623
flat angles P-C4'-P energy: -38.704
tors. eta vs tors. theta energy: -67.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -719.834255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.834255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.834255 (E_RNA)
where:
Base-Base interactions energy: -473.320
where: short stacking energy: -222.263
Base-Backbone interact. energy: -0.778
local terms energy: -245.736374
where:
bonds (distance) C4'-P energy: -52.741
bonds (distance) P-C4' energy: -53.482
flat angles C4'-P-C4' energy: -45.176
flat angles P-C4'-P energy: -36.213
tors. eta vs tors. theta energy: -58.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -642.374882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.374882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.374882 (E_RNA)
where:
Base-Base interactions energy: -419.429
where: short stacking energy: -176.670
Base-Backbone interact. energy: 4.149
local terms energy: -227.095364
where:
bonds (distance) C4'-P energy: -44.001
bonds (distance) P-C4' energy: -63.598
flat angles C4'-P-C4' energy: -44.673
flat angles P-C4'-P energy: -40.865
tors. eta vs tors. theta energy: -33.958
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: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -607.519598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.519598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.519598 (E_RNA)
where:
Base-Base interactions energy: -394.498
where: short stacking energy: -179.283
Base-Backbone interact. energy: -1.134
local terms energy: -211.887135
where:
bonds (distance) C4'-P energy: -51.625
bonds (distance) P-C4' energy: -42.340
flat angles C4'-P-C4' energy: -54.114
flat angles P-C4'-P energy: -29.239
tors. eta vs tors. theta energy: -34.570
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: 1
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -526.707900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.707900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.707900 (E_RNA)
where:
Base-Base interactions energy: -329.308
where: short stacking energy: -139.465
Base-Backbone interact. energy: -0.757
local terms energy: -196.642871
where:
bonds (distance) C4'-P energy: -35.549
bonds (distance) P-C4' energy: -48.895
flat angles C4'-P-C4' energy: -44.629
flat angles P-C4'-P energy: -31.267
tors. eta vs tors. theta energy: -36.303
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: 6
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -236.300034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.300034 (E_RNA)
where:
Base-Base interactions energy: -76.539
where: short stacking energy: -58.807
Base-Backbone interact. energy: 1.773
local terms energy: -161.533235
where:
bonds (distance) C4'-P energy: -54.401
bonds (distance) P-C4' energy: -47.729
flat angles C4'-P-C4' energy: -44.526
flat angles P-C4'-P energy: -27.645
tors. eta vs tors. theta energy: 12.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -1030.884603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.884603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.884603 (E_RNA)
where:
Base-Base interactions energy: -707.878
where: short stacking energy: -303.256
Base-Backbone interact. energy: -2.184
local terms energy: -320.822345
where:
bonds (distance) C4'-P energy: -55.262
bonds (distance) P-C4' energy: -59.107
flat angles C4'-P-C4' energy: -63.402
flat angles P-C4'-P energy: -49.603
tors. eta vs tors. theta energy: -93.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -968.205708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.205708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.205708 (E_RNA)
where:
Base-Base interactions energy: -668.517
where: short stacking energy: -287.092
Base-Backbone interact. energy: -0.277
local terms energy: -299.412048
where:
bonds (distance) C4'-P energy: -59.891
bonds (distance) P-C4' energy: -53.895
flat angles C4'-P-C4' energy: -57.206
flat angles P-C4'-P energy: -44.188
tors. eta vs tors. theta energy: -84.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -909.698523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.698523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.698523 (E_RNA)
where:
Base-Base interactions energy: -619.829
where: short stacking energy: -272.330
Base-Backbone interact. energy: -3.593
local terms energy: -286.276014
where:
bonds (distance) C4'-P energy: -54.858
bonds (distance) P-C4' energy: -51.362
flat angles C4'-P-C4' energy: -60.246
flat angles P-C4'-P energy: -42.176
tors. eta vs tors. theta energy: -77.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -830.325938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.325938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.325938 (E_RNA)
where:
Base-Base interactions energy: -564.313
where: short stacking energy: -240.671
Base-Backbone interact. energy: -2.403
local terms energy: -263.609514
where:
bonds (distance) C4'-P energy: -54.598
bonds (distance) P-C4' energy: -57.452
flat angles C4'-P-C4' energy: -49.003
flat angles P-C4'-P energy: -32.649
tors. eta vs tors. theta energy: -69.907
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: 5, replica: 5
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -806.338333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.338333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.338333 (E_RNA)
where:
Base-Base interactions energy: -550.261
where: short stacking energy: -244.788
Base-Backbone interact. energy: -0.400
local terms energy: -255.677219
where:
bonds (distance) C4'-P energy: -44.060
bonds (distance) P-C4' energy: -45.495
flat angles C4'-P-C4' energy: -59.836
flat angles P-C4'-P energy: -36.395
tors. eta vs tors. theta energy: -69.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -756.426191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.426191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.426191 (E_RNA)
where:
Base-Base interactions energy: -499.326
where: short stacking energy: -220.997
Base-Backbone interact. energy: -0.624
local terms energy: -256.476181
where:
bonds (distance) C4'-P energy: -47.707
bonds (distance) P-C4' energy: -54.039
flat angles C4'-P-C4' energy: -49.685
flat angles P-C4'-P energy: -39.832
tors. eta vs tors. theta energy: -65.213
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: 171
Temperature: 1.200000
Total energy: -642.330335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.330335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.330335 (E_RNA)
where:
Base-Base interactions energy: -411.291
where: short stacking energy: -181.879
Base-Backbone interact. energy: -0.337
local terms energy: -230.702265
where:
bonds (distance) C4'-P energy: -53.179
bonds (distance) P-C4' energy: -47.141
flat angles C4'-P-C4' energy: -48.830
flat angles P-C4'-P energy: -27.473
tors. eta vs tors. theta energy: -54.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -547.892818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.892818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.892818 (E_RNA)
where:
Base-Base interactions energy: -354.696
where: short stacking energy: -158.094
Base-Backbone interact. energy: 0.156
local terms energy: -193.352339
where:
bonds (distance) C4'-P energy: -51.365
bonds (distance) P-C4' energy: -46.821
flat angles C4'-P-C4' energy: -39.649
flat angles P-C4'-P energy: -28.465
tors. eta vs tors. theta energy: -27.052
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: 1
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -496.733401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.733401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.733401 (E_RNA)
where:
Base-Base interactions energy: -302.499
where: short stacking energy: -142.533
Base-Backbone interact. energy: 5.238
local terms energy: -199.472427
where:
bonds (distance) C4'-P energy: -42.666
bonds (distance) P-C4' energy: -45.472
flat angles C4'-P-C4' energy: -44.817
flat angles P-C4'-P energy: -35.533
tors. eta vs tors. theta energy: -30.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -229.870258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.870258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.870258 (E_RNA)
where:
Base-Base interactions energy: -85.718
where: short stacking energy: -74.292
Base-Backbone interact. energy: 1.053
local terms energy: -145.204967
where:
bonds (distance) C4'-P energy: -33.548
bonds (distance) P-C4' energy: -50.724
flat angles C4'-P-C4' energy: -39.663
flat angles P-C4'-P energy: -33.973
tors. eta vs tors. theta energy: 12.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1001.211992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.211992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.211992 (E_RNA)
where:
Base-Base interactions energy: -684.974
where: short stacking energy: -284.104
Base-Backbone interact. energy: -2.039
local terms energy: -314.198221
where:
bonds (distance) C4'-P energy: -53.655
bonds (distance) P-C4' energy: -59.529
flat angles C4'-P-C4' energy: -67.981
flat angles P-C4'-P energy: -46.779
tors. eta vs tors. theta energy: -86.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1012.332829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.332829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.332829 (E_RNA)
where:
Base-Base interactions energy: -720.971
where: short stacking energy: -305.179
Base-Backbone interact. energy: -2.340
local terms energy: -289.021996
where:
bonds (distance) C4'-P energy: -48.274
bonds (distance) P-C4' energy: -51.365
flat angles C4'-P-C4' energy: -62.755
flat angles P-C4'-P energy: -40.462
tors. eta vs tors. theta energy: -86.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -902.979301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.979301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.979301 (E_RNA)
where:
Base-Base interactions energy: -613.059
where: short stacking energy: -280.618
Base-Backbone interact. energy: -0.932
local terms energy: -288.988626
where:
bonds (distance) C4'-P energy: -43.647
bonds (distance) P-C4' energy: -54.256
flat angles C4'-P-C4' energy: -64.134
flat angles P-C4'-P energy: -46.558
tors. eta vs tors. theta energy: -80.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -799.044229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.044229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.044229 (E_RNA)
where:
Base-Base interactions energy: -555.087
where: short stacking energy: -228.309
Base-Backbone interact. energy: -1.475
local terms energy: -242.482614
where:
bonds (distance) C4'-P energy: -46.799
bonds (distance) P-C4' energy: -46.697
flat angles C4'-P-C4' energy: -54.742
flat angles P-C4'-P energy: -32.252
tors. eta vs tors. theta energy: -61.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -800.511893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.511893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.511893 (E_RNA)
where:
Base-Base interactions energy: -528.766
where: short stacking energy: -240.387
Base-Backbone interact. energy: -2.080
local terms energy: -269.666272
where:
bonds (distance) C4'-P energy: -55.438
bonds (distance) P-C4' energy: -52.643
flat angles C4'-P-C4' energy: -57.435
flat angles P-C4'-P energy: -32.102
tors. eta vs tors. theta energy: -72.048
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: 6, replica: 2
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -743.081371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.081371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.081371 (E_RNA)
where:
Base-Base interactions energy: -488.168
where: short stacking energy: -221.605
Base-Backbone interact. energy: -0.564
local terms energy: -254.349787
where:
bonds (distance) C4'-P energy: -54.791
bonds (distance) P-C4' energy: -49.914
flat angles C4'-P-C4' energy: -51.820
flat angles P-C4'-P energy: -26.810
tors. eta vs tors. theta energy: -71.015
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: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -559.713271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.713271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.713271 (E_RNA)
where:
Base-Base interactions energy: -332.651
where: short stacking energy: -149.587
Base-Backbone interact. energy: -1.377
local terms energy: -225.685707
where:
bonds (distance) C4'-P energy: -52.908
bonds (distance) P-C4' energy: -54.474
flat angles C4'-P-C4' energy: -57.810
flat angles P-C4'-P energy: -36.120
tors. eta vs tors. theta energy: -24.374
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: 9
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -599.209518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.209518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.209518 (E_RNA)
where:
Base-Base interactions energy: -375.619
where: short stacking energy: -162.881
Base-Backbone interact. energy: 2.549
local terms energy: -226.138864
where:
bonds (distance) C4'-P energy: -59.182
bonds (distance) P-C4' energy: -49.529
flat angles C4'-P-C4' energy: -48.615
flat angles P-C4'-P energy: -30.570
tors. eta vs tors. theta energy: -38.244
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: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -499.451551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -499.451551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -499.451551 (E_RNA)
where:
Base-Base interactions energy: -313.655
where: short stacking energy: -148.756
Base-Backbone interact. energy: -0.363
local terms energy: -185.433911
where:
bonds (distance) C4'-P energy: -42.208
bonds (distance) P-C4' energy: -48.531
flat angles C4'-P-C4' energy: -46.674
flat angles P-C4'-P energy: -26.805
tors. eta vs tors. theta energy: -21.215
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: 6
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -244.463600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.463600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.463600 (E_RNA)
where:
Base-Base interactions energy: -83.956
where: short stacking energy: -79.714
Base-Backbone interact. energy: -0.488
local terms energy: -160.019293
where:
bonds (distance) C4'-P energy: -54.319
bonds (distance) P-C4' energy: -43.831
flat angles C4'-P-C4' energy: -36.091
flat angles P-C4'-P energy: -27.399
tors. eta vs tors. theta energy: 1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -992.360203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.360203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.360203 (E_RNA)
where:
Base-Base interactions energy: -678.953
where: short stacking energy: -277.469
Base-Backbone interact. energy: -1.077
local terms energy: -312.330227
where:
bonds (distance) C4'-P energy: -57.010
bonds (distance) P-C4' energy: -64.406
flat angles C4'-P-C4' energy: -60.413
flat angles P-C4'-P energy: -44.792
tors. eta vs tors. theta energy: -85.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1025.153874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.153874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.153874 (E_RNA)
where:
Base-Base interactions energy: -715.623
where: short stacking energy: -294.988
Base-Backbone interact. energy: 1.223
local terms energy: -310.754453
where:
bonds (distance) C4'-P energy: -60.889
bonds (distance) P-C4' energy: -51.253
flat angles C4'-P-C4' energy: -65.526
flat angles P-C4'-P energy: -42.200
tors. eta vs tors. theta energy: -90.886
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: 8
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -911.184393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.184393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.184393 (E_RNA)
where:
Base-Base interactions energy: -613.374
where: short stacking energy: -280.900
Base-Backbone interact. energy: 0.391
local terms energy: -298.201701
where:
bonds (distance) C4'-P energy: -53.662
bonds (distance) P-C4' energy: -58.025
flat angles C4'-P-C4' energy: -58.522
flat angles P-C4'-P energy: -44.499
tors. eta vs tors. theta energy: -83.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -826.841161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.841161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.841161 (E_RNA)
where:
Base-Base interactions energy: -543.843
where: short stacking energy: -237.304
Base-Backbone interact. energy: -0.734
local terms energy: -282.263963
where:
bonds (distance) C4'-P energy: -52.795
bonds (distance) P-C4' energy: -56.397
flat angles C4'-P-C4' energy: -62.207
flat angles P-C4'-P energy: -41.244
tors. eta vs tors. theta energy: -69.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -807.821152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.821152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.821152 (E_RNA)
where:
Base-Base interactions energy: -561.276
where: short stacking energy: -234.092
Base-Backbone interact. energy: -0.704
local terms energy: -245.841182
where:
bonds (distance) C4'-P energy: -48.168
bonds (distance) P-C4' energy: -50.786
flat angles C4'-P-C4' energy: -57.099
flat angles P-C4'-P energy: -26.455
tors. eta vs tors. theta energy: -63.333
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: 2
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -746.353630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.353630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.353630 (E_RNA)
where:
Base-Base interactions energy: -495.174
where: short stacking energy: -219.842
Base-Backbone interact. energy: -1.405
local terms energy: -249.774405
where:
bonds (distance) C4'-P energy: -53.217
bonds (distance) P-C4' energy: -43.543
flat angles C4'-P-C4' energy: -52.921
flat angles P-C4'-P energy: -30.453
tors. eta vs tors. theta energy: -69.640
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: 7, replica: 10
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -579.795675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.795675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.795675 (E_RNA)
where:
Base-Base interactions energy: -351.101
where: short stacking energy: -170.972
Base-Backbone interact. energy: -1.185
local terms energy: -227.509409
where:
bonds (distance) C4'-P energy: -55.048
bonds (distance) P-C4' energy: -51.348
flat angles C4'-P-C4' energy: -49.731
flat angles P-C4'-P energy: -33.824
tors. eta vs tors. theta energy: -37.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -578.429581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.429581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.429581 (E_RNA)
where:
Base-Base interactions energy: -368.496
where: short stacking energy: -175.151
Base-Backbone interact. energy: -0.666
local terms energy: -209.267972
where:
bonds (distance) C4'-P energy: -37.940
bonds (distance) P-C4' energy: -50.576
flat angles C4'-P-C4' energy: -48.781
flat angles P-C4'-P energy: -28.686
tors. eta vs tors. theta energy: -43.285
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: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -481.260799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.260799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.260799 (E_RNA)
where:
Base-Base interactions energy: -284.663
where: short stacking energy: -149.050
Base-Backbone interact. energy: 0.000
local terms energy: -196.597867
where:
bonds (distance) C4'-P energy: -45.959
bonds (distance) P-C4' energy: -57.538
flat angles C4'-P-C4' energy: -42.823
flat angles P-C4'-P energy: -20.825
tors. eta vs tors. theta energy: -29.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -242.733068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.733068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.733068 (E_RNA)
where:
Base-Base interactions energy: -103.497
where: short stacking energy: -97.867
Base-Backbone interact. energy: 1.408
local terms energy: -140.643720
where:
bonds (distance) C4'-P energy: -30.682
bonds (distance) P-C4' energy: -42.739
flat angles C4'-P-C4' energy: -43.591
flat angles P-C4'-P energy: -25.215
tors. eta vs tors. theta energy: 1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1029.838063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.838063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.838063 (E_RNA)
where:
Base-Base interactions energy: -722.250
where: short stacking energy: -301.020
Base-Backbone interact. energy: -1.232
local terms energy: -306.356209
where:
bonds (distance) C4'-P energy: -52.276
bonds (distance) P-C4' energy: -52.709
flat angles C4'-P-C4' energy: -64.794
flat angles P-C4'-P energy: -46.661
tors. eta vs tors. theta energy: -89.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -964.161121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.161121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.161121 (E_RNA)
where:
Base-Base interactions energy: -674.741
where: short stacking energy: -281.218
Base-Backbone interact. energy: -0.170
local terms energy: -289.249906
where:
bonds (distance) C4'-P energy: -50.091
bonds (distance) P-C4' energy: -49.432
flat angles C4'-P-C4' energy: -64.261
flat angles P-C4'-P energy: -41.070
tors. eta vs tors. theta energy: -84.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -912.370445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.370445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.370445 (E_RNA)
where:
Base-Base interactions energy: -611.809
where: short stacking energy: -282.811
Base-Backbone interact. energy: 2.509
local terms energy: -303.070229
where:
bonds (distance) C4'-P energy: -58.075
bonds (distance) P-C4' energy: -57.091
flat angles C4'-P-C4' energy: -64.771
flat angles P-C4'-P energy: -49.463
tors. eta vs tors. theta energy: -73.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -823.006778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.006778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.006778 (E_RNA)
where:
Base-Base interactions energy: -556.374
where: short stacking energy: -236.872
Base-Backbone interact. energy: -0.011
local terms energy: -266.622544
where:
bonds (distance) C4'-P energy: -53.031
bonds (distance) P-C4' energy: -47.756
flat angles C4'-P-C4' energy: -55.252
flat angles P-C4'-P energy: -49.431
tors. eta vs tors. theta energy: -61.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -803.150267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.150267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.150267 (E_RNA)
where:
Base-Base interactions energy: -550.220
where: short stacking energy: -214.757
Base-Backbone interact. energy: -0.841
local terms energy: -252.089674
where:
bonds (distance) C4'-P energy: -54.146
bonds (distance) P-C4' energy: -53.212
flat angles C4'-P-C4' energy: -44.450
flat angles P-C4'-P energy: -31.916
tors. eta vs tors. theta energy: -68.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -723.693689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.693689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.693689 (E_RNA)
where:
Base-Base interactions energy: -483.286
where: short stacking energy: -214.063
Base-Backbone interact. energy: -0.630
local terms energy: -239.777737
where:
bonds (distance) C4'-P energy: -55.208
bonds (distance) P-C4' energy: -50.438
flat angles C4'-P-C4' energy: -48.507
flat angles P-C4'-P energy: -35.334
tors. eta vs tors. theta energy: -50.291
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: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -649.477750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.477750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.477750 (E_RNA)
where:
Base-Base interactions energy: -418.096
where: short stacking energy: -185.206
Base-Backbone interact. energy: 1.057
local terms energy: -232.438370
where:
bonds (distance) C4'-P energy: -51.639
bonds (distance) P-C4' energy: -50.180
flat angles C4'-P-C4' energy: -53.648
flat angles P-C4'-P energy: -39.848
tors. eta vs tors. theta energy: -37.123
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: 9
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -556.091321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.091321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.091321 (E_RNA)
where:
Base-Base interactions energy: -357.823
where: short stacking energy: -172.292
Base-Backbone interact. energy: -0.451
local terms energy: -197.817074
where:
bonds (distance) C4'-P energy: -41.300
bonds (distance) P-C4' energy: -51.580
flat angles C4'-P-C4' energy: -45.758
flat angles P-C4'-P energy: -27.686
tors. eta vs tors. theta energy: -31.494
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: 9, replica: 1
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -476.273941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.273941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.273941 (E_RNA)
where:
Base-Base interactions energy: -278.673
where: short stacking energy: -148.482
Base-Backbone interact. energy: -0.045
local terms energy: -197.555616
where:
bonds (distance) C4'-P energy: -56.609
bonds (distance) P-C4' energy: -37.824
flat angles C4'-P-C4' energy: -47.932
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: -24.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -260.625871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.625871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.625871 (E_RNA)
where:
Base-Base interactions energy: -126.844
where: short stacking energy: -84.104
Base-Backbone interact. energy: 2.046
local terms energy: -135.827272
where:
bonds (distance) C4'-P energy: -46.535
bonds (distance) P-C4' energy: -30.571
flat angles C4'-P-C4' energy: -34.742
flat angles P-C4'-P energy: -22.590
tors. eta vs tors. theta energy: -1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -1028.725188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.725188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.725188 (E_RNA)
where:
Base-Base interactions energy: -722.553
where: short stacking energy: -314.995
Base-Backbone interact. energy: -2.563
local terms energy: -303.609290
where:
bonds (distance) C4'-P energy: -54.488
bonds (distance) P-C4' energy: -54.803
flat angles C4'-P-C4' energy: -65.743
flat angles P-C4'-P energy: -38.857
tors. eta vs tors. theta energy: -89.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -959.736894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.736894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.736894 (E_RNA)
where:
Base-Base interactions energy: -655.403
where: short stacking energy: -285.584
Base-Backbone interact. energy: -1.002
local terms energy: -303.331853
where:
bonds (distance) C4'-P energy: -54.051
bonds (distance) P-C4' energy: -62.286
flat angles C4'-P-C4' energy: -60.392
flat angles P-C4'-P energy: -42.187
tors. eta vs tors. theta energy: -84.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -898.742769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.742769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.742769 (E_RNA)
where:
Base-Base interactions energy: -609.189
where: short stacking energy: -271.886
Base-Backbone interact. energy: -0.540
local terms energy: -289.013458
where:
bonds (distance) C4'-P energy: -53.779
bonds (distance) P-C4' energy: -53.619
flat angles C4'-P-C4' energy: -62.335
flat angles P-C4'-P energy: -45.277
tors. eta vs tors. theta energy: -74.003
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: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -830.118373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.118373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.118373 (E_RNA)
where:
Base-Base interactions energy: -556.283
where: short stacking energy: -258.305
Base-Backbone interact. energy: 2.081
local terms energy: -275.916910
where:
bonds (distance) C4'-P energy: -50.512
bonds (distance) P-C4' energy: -57.796
flat angles C4'-P-C4' energy: -54.089
flat angles P-C4'-P energy: -38.054
tors. eta vs tors. theta energy: -75.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -788.751793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.751793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.751793 (E_RNA)
where:
Base-Base interactions energy: -530.898
where: short stacking energy: -213.248
Base-Backbone interact. energy: -0.953
local terms energy: -256.900872
where:
bonds (distance) C4'-P energy: -58.576
bonds (distance) P-C4' energy: -51.599
flat angles C4'-P-C4' energy: -46.826
flat angles P-C4'-P energy: -40.276
tors. eta vs tors. theta energy: -59.624
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: 6, replica: 2
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -748.500413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.500413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.500413 (E_RNA)
where:
Base-Base interactions energy: -494.305
where: short stacking energy: -236.072
Base-Backbone interact. energy: -0.771
local terms energy: -253.424470
where:
bonds (distance) C4'-P energy: -44.461
bonds (distance) P-C4' energy: -49.624
flat angles C4'-P-C4' energy: -55.624
flat angles P-C4'-P energy: -30.235
tors. eta vs tors. theta energy: -73.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -576.688290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.688290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.688290 (E_RNA)
where:
Base-Base interactions energy: -351.988
where: short stacking energy: -169.725
Base-Backbone interact. energy: -1.337
local terms energy: -223.363174
where:
bonds (distance) C4'-P energy: -52.077
bonds (distance) P-C4' energy: -40.938
flat angles C4'-P-C4' energy: -50.632
flat angles P-C4'-P energy: -47.297
tors. eta vs tors. theta energy: -32.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -582.730842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -582.730842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -582.730842 (E_RNA)
where:
Base-Base interactions energy: -363.440
where: short stacking energy: -168.797
Base-Backbone interact. energy: -1.499
local terms energy: -217.791401
where:
bonds (distance) C4'-P energy: -38.845
bonds (distance) P-C4' energy: -53.613
flat angles C4'-P-C4' energy: -41.392
flat angles P-C4'-P energy: -41.314
tors. eta vs tors. theta energy: -42.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -469.905159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.905159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.905159 (E_RNA)
where:
Base-Base interactions energy: -288.081
where: short stacking energy: -133.217
Base-Backbone interact. energy: -0.109
local terms energy: -181.715410
where:
bonds (distance) C4'-P energy: -33.384
bonds (distance) P-C4' energy: -54.892
flat angles C4'-P-C4' energy: -43.622
flat angles P-C4'-P energy: -28.989
tors. eta vs tors. theta energy: -20.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -256.929035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.929035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.929035 (E_RNA)
where:
Base-Base interactions energy: -98.186
where: short stacking energy: -85.939
Base-Backbone interact. energy: -1.360
local terms energy: -157.383162
where:
bonds (distance) C4'-P energy: -48.785
bonds (distance) P-C4' energy: -49.518
flat angles C4'-P-C4' energy: -37.994
flat angles P-C4'-P energy: -23.596
tors. eta vs tors. theta energy: 2.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1021.867799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.867799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.867799 (E_RNA)
where:
Base-Base interactions energy: -721.010
where: short stacking energy: -307.144
Base-Backbone interact. energy: -0.419
local terms energy: -300.439716
where:
bonds (distance) C4'-P energy: -52.939
bonds (distance) P-C4' energy: -53.289
flat angles C4'-P-C4' energy: -60.188
flat angles P-C4'-P energy: -45.136
tors. eta vs tors. theta energy: -88.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -962.306621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.306621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.306621 (E_RNA)
where:
Base-Base interactions energy: -665.671
where: short stacking energy: -271.890
Base-Backbone interact. energy: -1.329
local terms energy: -295.306552
where:
bonds (distance) C4'-P energy: -48.640
bonds (distance) P-C4' energy: -57.738
flat angles C4'-P-C4' energy: -65.051
flat angles P-C4'-P energy: -39.038
tors. eta vs tors. theta energy: -84.840
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: 8
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -924.492951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.492951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.492951 (E_RNA)
where:
Base-Base interactions energy: -623.608
where: short stacking energy: -286.097
Base-Backbone interact. energy: -0.921
local terms energy: -299.964450
where:
bonds (distance) C4'-P energy: -59.088
bonds (distance) P-C4' energy: -61.834
flat angles C4'-P-C4' energy: -64.294
flat angles P-C4'-P energy: -31.289
tors. eta vs tors. theta energy: -83.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -844.192059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.192059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.192059 (E_RNA)
where:
Base-Base interactions energy: -575.926
where: short stacking energy: -254.665
Base-Backbone interact. energy: -0.502
local terms energy: -267.763764
where:
bonds (distance) C4'-P energy: -51.393
bonds (distance) P-C4' energy: -41.417
flat angles C4'-P-C4' energy: -60.010
flat angles P-C4'-P energy: -41.569
tors. eta vs tors. theta energy: -73.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -798.678695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.678695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.678695 (E_RNA)
where:
Base-Base interactions energy: -554.229
where: short stacking energy: -235.447
Base-Backbone interact. energy: 3.281
local terms energy: -247.731280
where:
bonds (distance) C4'-P energy: -42.471
bonds (distance) P-C4' energy: -47.880
flat angles C4'-P-C4' energy: -53.742
flat angles P-C4'-P energy: -36.614
tors. eta vs tors. theta energy: -67.024
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: 2
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -738.700551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.700551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.700551 (E_RNA)
where:
Base-Base interactions energy: -469.549
where: short stacking energy: -213.889
Base-Backbone interact. energy: -0.725
local terms energy: -268.427117
where:
bonds (distance) C4'-P energy: -48.818
bonds (distance) P-C4' energy: -58.405
flat angles C4'-P-C4' energy: -63.421
flat angles P-C4'-P energy: -35.629
tors. eta vs tors. theta energy: -62.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -629.421160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -629.421160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -629.421160 (E_RNA)
where:
Base-Base interactions energy: -407.721
where: short stacking energy: -178.327
Base-Backbone interact. energy: -0.603
local terms energy: -221.096614
where:
bonds (distance) C4'-P energy: -43.897
bonds (distance) P-C4' energy: -52.873
flat angles C4'-P-C4' energy: -57.065
flat angles P-C4'-P energy: -32.183
tors. eta vs tors. theta energy: -35.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -576.031258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.031258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.031258 (E_RNA)
where:
Base-Base interactions energy: -358.536
where: short stacking energy: -167.982
Base-Backbone interact. energy: -2.640
local terms energy: -214.856077
where:
bonds (distance) C4'-P energy: -44.489
bonds (distance) P-C4' energy: -58.950
flat angles C4'-P-C4' energy: -48.358
flat angles P-C4'-P energy: -31.712
tors. eta vs tors. theta energy: -31.348
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: 1
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -478.861375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.861375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.861375 (E_RNA)
where:
Base-Base interactions energy: -294.234
where: short stacking energy: -150.800
Base-Backbone interact. energy: -0.470
local terms energy: -184.157217
where:
bonds (distance) C4'-P energy: -36.364
bonds (distance) P-C4' energy: -37.054
flat angles C4'-P-C4' energy: -51.594
flat angles P-C4'-P energy: -29.548
tors. eta vs tors. theta energy: -29.597
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: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -263.383382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.383382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.383382 (E_RNA)
where:
Base-Base interactions energy: -103.022
where: short stacking energy: -74.284
Base-Backbone interact. energy: 0.862
local terms energy: -161.223173
where:
bonds (distance) C4'-P energy: -53.337
bonds (distance) P-C4' energy: -47.812
flat angles C4'-P-C4' energy: -40.392
flat angles P-C4'-P energy: -28.759
tors. eta vs tors. theta energy: 9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1039.073626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.073626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.073626 (E_RNA)
where:
Base-Base interactions energy: -718.139
where: short stacking energy: -313.248
Base-Backbone interact. energy: -1.657
local terms energy: -319.277774
where:
bonds (distance) C4'-P energy: -57.968
bonds (distance) P-C4' energy: -57.383
flat angles C4'-P-C4' energy: -64.189
flat angles P-C4'-P energy: -45.655
tors. eta vs tors. theta energy: -94.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -933.913058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.913058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.913058 (E_RNA)
where:
Base-Base interactions energy: -641.493
where: short stacking energy: -282.813
Base-Backbone interact. energy: -1.753
local terms energy: -290.666361
where:
bonds (distance) C4'-P energy: -57.951
bonds (distance) P-C4' energy: -52.358
flat angles C4'-P-C4' energy: -60.649
flat angles P-C4'-P energy: -44.949
tors. eta vs tors. theta energy: -74.761
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: 7
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -947.400776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.400776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.400776 (E_RNA)
where:
Base-Base interactions energy: -652.887
where: short stacking energy: -285.923
Base-Backbone interact. energy: -0.325
local terms energy: -294.188515
where:
bonds (distance) C4'-P energy: -48.628
bonds (distance) P-C4' energy: -58.875
flat angles C4'-P-C4' energy: -62.885
flat angles P-C4'-P energy: -38.743
tors. eta vs tors. theta energy: -85.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -829.884936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.884936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.884936 (E_RNA)
where:
Base-Base interactions energy: -556.961
where: short stacking energy: -241.024
Base-Backbone interact. energy: 0.210
local terms energy: -273.133771
where:
bonds (distance) C4'-P energy: -56.112
bonds (distance) P-C4' energy: -48.299
flat angles C4'-P-C4' energy: -62.244
flat angles P-C4'-P energy: -37.513
tors. eta vs tors. theta energy: -68.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -763.251528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.251528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.251528 (E_RNA)
where:
Base-Base interactions energy: -516.359
where: short stacking energy: -246.844
Base-Backbone interact. energy: -1.094
local terms energy: -245.798166
where:
bonds (distance) C4'-P energy: -49.486
bonds (distance) P-C4' energy: -54.856
flat angles C4'-P-C4' energy: -46.268
flat angles P-C4'-P energy: -25.621
tors. eta vs tors. theta energy: -69.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -728.316669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.316669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.316669 (E_RNA)
where:
Base-Base interactions energy: -462.099
where: short stacking energy: -223.924
Base-Backbone interact. energy: 0.062
local terms energy: -266.279584
where:
bonds (distance) C4'-P energy: -54.974
bonds (distance) P-C4' energy: -48.918
flat angles C4'-P-C4' energy: -53.878
flat angles P-C4'-P energy: -38.029
tors. eta vs tors. theta energy: -70.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -648.588354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.588354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.588354 (E_RNA)
where:
Base-Base interactions energy: -418.665
where: short stacking energy: -177.303
Base-Backbone interact. energy: -1.834
local terms energy: -228.088934
where:
bonds (distance) C4'-P energy: -48.796
bonds (distance) P-C4' energy: -53.835
flat angles C4'-P-C4' energy: -51.080
flat angles P-C4'-P energy: -35.254
tors. eta vs tors. theta energy: -39.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -545.075421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.075421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.075421 (E_RNA)
where:
Base-Base interactions energy: -349.216
where: short stacking energy: -142.134
Base-Backbone interact. energy: 0.232
local terms energy: -196.090975
where:
bonds (distance) C4'-P energy: -44.175
bonds (distance) P-C4' energy: -45.366
flat angles C4'-P-C4' energy: -50.512
flat angles P-C4'-P energy: -30.634
tors. eta vs tors. theta energy: -25.405
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: 9, replica: 1
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -481.645233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.645233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.645233 (E_RNA)
where:
Base-Base interactions energy: -289.688
where: short stacking energy: -136.045
Base-Backbone interact. energy: 0.288
local terms energy: -192.245607
where:
bonds (distance) C4'-P energy: -41.526
bonds (distance) P-C4' energy: -55.799
flat angles C4'-P-C4' energy: -45.859
flat angles P-C4'-P energy: -27.283
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -242.921562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.921562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.921562 (E_RNA)
where:
Base-Base interactions energy: -79.663
where: short stacking energy: -76.820
Base-Backbone interact. energy: 1.050
local terms energy: -164.308700
where:
bonds (distance) C4'-P energy: -38.244
bonds (distance) P-C4' energy: -45.364
flat angles C4'-P-C4' energy: -40.302
flat angles P-C4'-P energy: -36.056
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1020.363331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.363331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.363331 (E_RNA)
where:
Base-Base interactions energy: -710.731
where: short stacking energy: -284.802
Base-Backbone interact. energy: 0.805
local terms energy: -310.437049
where:
bonds (distance) C4'-P energy: -55.472
bonds (distance) P-C4' energy: -55.765
flat angles C4'-P-C4' energy: -64.476
flat angles P-C4'-P energy: -45.891
tors. eta vs tors. theta energy: -88.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -974.840277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.840277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.840277 (E_RNA)
where:
Base-Base interactions energy: -660.898
where: short stacking energy: -290.757
Base-Backbone interact. energy: -0.514
local terms energy: -313.428408
where:
bonds (distance) C4'-P energy: -53.104
bonds (distance) P-C4' energy: -56.990
flat angles C4'-P-C4' energy: -71.062
flat angles P-C4'-P energy: -41.635
tors. eta vs tors. theta energy: -90.637
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: 178
Temperature: 1.000000
Total energy: -955.499458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.499458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.499458 (E_RNA)
where:
Base-Base interactions energy: -654.693
where: short stacking energy: -288.806
Base-Backbone interact. energy: -0.666
local terms energy: -300.139897
where:
bonds (distance) C4'-P energy: -57.998
bonds (distance) P-C4' energy: -55.472
flat angles C4'-P-C4' energy: -57.933
flat angles P-C4'-P energy: -44.837
tors. eta vs tors. theta energy: -83.900
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: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -826.331748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.331748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.331748 (E_RNA)
where:
Base-Base interactions energy: -560.742
where: short stacking energy: -250.180
Base-Backbone interact. energy: 0.600
local terms energy: -266.189774
where:
bonds (distance) C4'-P energy: -50.223
bonds (distance) P-C4' energy: -58.376
flat angles C4'-P-C4' energy: -52.734
flat angles P-C4'-P energy: -37.137
tors. eta vs tors. theta energy: -67.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -797.057319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.057319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.057319 (E_RNA)
where:
Base-Base interactions energy: -535.105
where: short stacking energy: -239.888
Base-Backbone interact. energy: -1.103
local terms energy: -260.849034
where:
bonds (distance) C4'-P energy: -43.301
bonds (distance) P-C4' energy: -60.191
flat angles C4'-P-C4' energy: -59.519
flat angles P-C4'-P energy: -34.267
tors. eta vs tors. theta energy: -63.572
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: 2
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -739.652707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.652707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.652707 (E_RNA)
where:
Base-Base interactions energy: -502.635
where: short stacking energy: -225.563
Base-Backbone interact. energy: -1.176
local terms energy: -235.842069
where:
bonds (distance) C4'-P energy: -49.645
bonds (distance) P-C4' energy: -45.629
flat angles C4'-P-C4' energy: -51.168
flat angles P-C4'-P energy: -31.157
tors. eta vs tors. theta energy: -58.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -663.894863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.894863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.894863 (E_RNA)
where:
Base-Base interactions energy: -421.168
where: short stacking energy: -187.057
Base-Backbone interact. energy: 0.062
local terms energy: -242.789306
where:
bonds (distance) C4'-P energy: -48.830
bonds (distance) P-C4' energy: -57.691
flat angles C4'-P-C4' energy: -52.544
flat angles P-C4'-P energy: -40.428
tors. eta vs tors. theta energy: -43.297
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: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -547.006275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.006275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.006275 (E_RNA)
where:
Base-Base interactions energy: -349.120
where: short stacking energy: -150.669
Base-Backbone interact. energy: 1.527
local terms energy: -199.413861
where:
bonds (distance) C4'-P energy: -42.952
bonds (distance) P-C4' energy: -45.663
flat angles C4'-P-C4' energy: -47.979
flat angles P-C4'-P energy: -37.470
tors. eta vs tors. theta energy: -25.350
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: 1
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -459.895165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.895165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.895165 (E_RNA)
where:
Base-Base interactions energy: -281.444
where: short stacking energy: -129.278
Base-Backbone interact. energy: -0.708
local terms energy: -177.742883
where:
bonds (distance) C4'-P energy: -37.635
bonds (distance) P-C4' energy: -52.183
flat angles C4'-P-C4' energy: -47.204
flat angles P-C4'-P energy: -28.028
tors. eta vs tors. theta energy: -12.693
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: 6
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -252.600337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.600337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.600337 (E_RNA)
where:
Base-Base interactions energy: -95.723
where: short stacking energy: -76.991
Base-Backbone interact. energy: 1.724
local terms energy: -158.601398
where:
bonds (distance) C4'-P energy: -60.056
bonds (distance) P-C4' energy: -47.658
flat angles C4'-P-C4' energy: -27.982
flat angles P-C4'-P energy: -25.204
tors. eta vs tors. theta energy: 2.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1030.588853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.588853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.588853 (E_RNA)
where:
Base-Base interactions energy: -718.341
where: short stacking energy: -305.911
Base-Backbone interact. energy: 0.438
local terms energy: -312.685935
where:
bonds (distance) C4'-P energy: -56.519
bonds (distance) P-C4' energy: -54.068
flat angles C4'-P-C4' energy: -60.767
flat angles P-C4'-P energy: -50.294
tors. eta vs tors. theta energy: -91.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -965.692533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.692533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.692533 (E_RNA)
where:
Base-Base interactions energy: -685.106
where: short stacking energy: -284.451
Base-Backbone interact. energy: -1.260
local terms energy: -279.326867
where:
bonds (distance) C4'-P energy: -40.234
bonds (distance) P-C4' energy: -65.194
flat angles C4'-P-C4' energy: -48.988
flat angles P-C4'-P energy: -39.573
tors. eta vs tors. theta energy: -85.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -957.638333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.638333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.638333 (E_RNA)
where:
Base-Base interactions energy: -653.663
where: short stacking energy: -270.585
Base-Backbone interact. energy: -1.903
local terms energy: -302.072237
where:
bonds (distance) C4'-P energy: -46.876
bonds (distance) P-C4' energy: -56.658
flat angles C4'-P-C4' energy: -67.450
flat angles P-C4'-P energy: -45.366
tors. eta vs tors. theta energy: -85.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -866.632875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.632875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.632875 (E_RNA)
where:
Base-Base interactions energy: -577.937
where: short stacking energy: -259.304
Base-Backbone interact. energy: -0.360
local terms energy: -288.336356
where:
bonds (distance) C4'-P energy: -60.708
bonds (distance) P-C4' energy: -57.331
flat angles C4'-P-C4' energy: -54.719
flat angles P-C4'-P energy: -36.459
tors. eta vs tors. theta energy: -79.120
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: 3
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -818.312337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.312337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.312337 (E_RNA)
where:
Base-Base interactions energy: -558.518
where: short stacking energy: -237.642
Base-Backbone interact. energy: -0.539
local terms energy: -259.255509
where:
bonds (distance) C4'-P energy: -62.252
bonds (distance) P-C4' energy: -44.822
flat angles C4'-P-C4' energy: -50.657
flat angles P-C4'-P energy: -31.976
tors. eta vs tors. theta energy: -69.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -758.221642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.221642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.221642 (E_RNA)
where:
Base-Base interactions energy: -474.606
where: short stacking energy: -255.014
Base-Backbone interact. energy: 0.292
local terms energy: -283.908153
where:
bonds (distance) C4'-P energy: -53.479
bonds (distance) P-C4' energy: -54.116
flat angles C4'-P-C4' energy: -59.908
flat angles P-C4'-P energy: -38.999
tors. eta vs tors. theta energy: -77.407
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: 10
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -671.204809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.204809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.204809 (E_RNA)
where:
Base-Base interactions energy: -452.640
where: short stacking energy: -202.104
Base-Backbone interact. energy: -1.110
local terms energy: -217.454778
where:
bonds (distance) C4'-P energy: -32.395
bonds (distance) P-C4' energy: -60.445
flat angles C4'-P-C4' energy: -49.081
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -50.464
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: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -557.584535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.584535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.584535 (E_RNA)
where:
Base-Base interactions energy: -334.713
where: short stacking energy: -158.730
Base-Backbone interact. energy: -0.641
local terms energy: -222.231047
where:
bonds (distance) C4'-P energy: -52.043
bonds (distance) P-C4' energy: -51.814
flat angles C4'-P-C4' energy: -47.854
flat angles P-C4'-P energy: -42.356
tors. eta vs tors. theta energy: -28.164
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: 9, replica: 1
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -464.238226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.238226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.238226 (E_RNA)
where:
Base-Base interactions energy: -276.118
where: short stacking energy: -138.540
Base-Backbone interact. energy: -1.641
local terms energy: -186.479696
where:
bonds (distance) C4'-P energy: -54.964
bonds (distance) P-C4' energy: -44.321
flat angles C4'-P-C4' energy: -48.790
flat angles P-C4'-P energy: -17.069
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -237.141883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.141883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.141883 (E_RNA)
where:
Base-Base interactions energy: -107.856
where: short stacking energy: -75.435
Base-Backbone interact. energy: -1.593
local terms energy: -127.692670
where:
bonds (distance) C4'-P energy: -30.006
bonds (distance) P-C4' energy: -54.357
flat angles C4'-P-C4' energy: -30.385
flat angles P-C4'-P energy: -18.583
tors. eta vs tors. theta energy: 5.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1025.586569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.586569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.586569 (E_RNA)
where:
Base-Base interactions energy: -716.471
where: short stacking energy: -300.032
Base-Backbone interact. energy: -1.898
local terms energy: -307.217588
where:
bonds (distance) C4'-P energy: -60.132
bonds (distance) P-C4' energy: -57.119
flat angles C4'-P-C4' energy: -62.173
flat angles P-C4'-P energy: -43.863
tors. eta vs tors. theta energy: -83.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -960.487200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.487200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.487200 (E_RNA)
where:
Base-Base interactions energy: -661.508
where: short stacking energy: -279.162
Base-Backbone interact. energy: -0.196
local terms energy: -298.783583
where:
bonds (distance) C4'-P energy: -59.321
bonds (distance) P-C4' energy: -50.761
flat angles C4'-P-C4' energy: -64.052
flat angles P-C4'-P energy: -39.029
tors. eta vs tors. theta energy: -85.621
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: 8
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -967.541420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.541420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.541420 (E_RNA)
where:
Base-Base interactions energy: -659.531
where: short stacking energy: -302.386
Base-Backbone interact. energy: 0.135
local terms energy: -308.145646
where:
bonds (distance) C4'-P energy: -59.560
bonds (distance) P-C4' energy: -53.735
flat angles C4'-P-C4' energy: -62.052
flat angles P-C4'-P energy: -45.800
tors. eta vs tors. theta energy: -86.997
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: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -812.115842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.115842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.115842 (E_RNA)
where:
Base-Base interactions energy: -541.959
where: short stacking energy: -236.256
Base-Backbone interact. energy: -1.517
local terms energy: -268.640202
where:
bonds (distance) C4'-P energy: -57.565
bonds (distance) P-C4' energy: -60.853
flat angles C4'-P-C4' energy: -58.881
flat angles P-C4'-P energy: -26.797
tors. eta vs tors. theta energy: -64.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -835.257120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.257120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.257120 (E_RNA)
where:
Base-Base interactions energy: -577.401
where: short stacking energy: -245.602
Base-Backbone interact. energy: -1.502
local terms energy: -256.353455
where:
bonds (distance) C4'-P energy: -51.030
bonds (distance) P-C4' energy: -56.859
flat angles C4'-P-C4' energy: -51.750
flat angles P-C4'-P energy: -38.192
tors. eta vs tors. theta energy: -58.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -710.061287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.061287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.061287 (E_RNA)
where:
Base-Base interactions energy: -455.389
where: short stacking energy: -211.823
Base-Backbone interact. energy: -1.724
local terms energy: -252.948496
where:
bonds (distance) C4'-P energy: -46.374
bonds (distance) P-C4' energy: -44.846
flat angles C4'-P-C4' energy: -51.835
flat angles P-C4'-P energy: -39.160
tors. eta vs tors. theta energy: -70.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -664.916497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.916497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.916497 (E_RNA)
where:
Base-Base interactions energy: -447.326
where: short stacking energy: -196.985
Base-Backbone interact. energy: -1.535
local terms energy: -216.055607
where:
bonds (distance) C4'-P energy: -47.098
bonds (distance) P-C4' energy: -48.679
flat angles C4'-P-C4' energy: -49.089
flat angles P-C4'-P energy: -28.112
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: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -557.868641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.868641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.868641 (E_RNA)
where:
Base-Base interactions energy: -344.963
where: short stacking energy: -169.722
Base-Backbone interact. energy: -0.524
local terms energy: -212.381944
where:
bonds (distance) C4'-P energy: -40.776
bonds (distance) P-C4' energy: -52.982
flat angles C4'-P-C4' energy: -48.493
flat angles P-C4'-P energy: -36.680
tors. eta vs tors. theta energy: -33.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -471.161141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.161141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.161141 (E_RNA)
where:
Base-Base interactions energy: -285.649
where: short stacking energy: -135.081
Base-Backbone interact. energy: 0.220
local terms energy: -185.732845
where:
bonds (distance) C4'-P energy: -49.944
bonds (distance) P-C4' energy: -43.861
flat angles C4'-P-C4' energy: -43.639
flat angles P-C4'-P energy: -30.785
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -247.611310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.611310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.611310 (E_RNA)
where:
Base-Base interactions energy: -110.177
where: short stacking energy: -80.167
Base-Backbone interact. energy: 0.386
local terms energy: -137.819859
where:
bonds (distance) C4'-P energy: -44.974
bonds (distance) P-C4' energy: -40.254
flat angles C4'-P-C4' energy: -43.740
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: 0.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1046.673629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.673629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.673629 (E_RNA)
where:
Base-Base interactions energy: -719.828
where: short stacking energy: -308.659
Base-Backbone interact. energy: -1.194
local terms energy: -325.651066
where:
bonds (distance) C4'-P energy: -61.289
bonds (distance) P-C4' energy: -62.581
flat angles C4'-P-C4' energy: -61.406
flat angles P-C4'-P energy: -47.251
tors. eta vs tors. theta energy: -93.124
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: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -972.455664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.455664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.455664 (E_RNA)
where:
Base-Base interactions energy: -674.049
where: short stacking energy: -290.451
Base-Backbone interact. energy: -1.482
local terms energy: -296.924142
where:
bonds (distance) C4'-P energy: -51.397
bonds (distance) P-C4' energy: -48.914
flat angles C4'-P-C4' energy: -65.672
flat angles P-C4'-P energy: -45.964
tors. eta vs tors. theta energy: -84.977
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: 8
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -947.886635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.886635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.886635 (E_RNA)
where:
Base-Base interactions energy: -654.717
where: short stacking energy: -289.869
Base-Backbone interact. energy: -0.694
local terms energy: -292.475897
where:
bonds (distance) C4'-P energy: -54.853
bonds (distance) P-C4' energy: -55.451
flat angles C4'-P-C4' energy: -62.986
flat angles P-C4'-P energy: -33.214
tors. eta vs tors. theta energy: -85.971
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: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -832.284125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.284125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.284125 (E_RNA)
where:
Base-Base interactions energy: -573.445
where: short stacking energy: -231.247
Base-Backbone interact. energy: -1.723
local terms energy: -257.116200
where:
bonds (distance) C4'-P energy: -51.514
bonds (distance) P-C4' energy: -54.825
flat angles C4'-P-C4' energy: -51.913
flat angles P-C4'-P energy: -33.473
tors. eta vs tors. theta energy: -65.391
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: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -775.285270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.285270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.285270 (E_RNA)
where:
Base-Base interactions energy: -502.917
where: short stacking energy: -224.102
Base-Backbone interact. energy: -1.283
local terms energy: -271.085285
where:
bonds (distance) C4'-P energy: -65.806
bonds (distance) P-C4' energy: -52.512
flat angles C4'-P-C4' energy: -47.567
flat angles P-C4'-P energy: -38.951
tors. eta vs tors. theta energy: -66.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -724.898852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.898852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.898852 (E_RNA)
where:
Base-Base interactions energy: -482.289
where: short stacking energy: -224.112
Base-Backbone interact. energy: -0.545
local terms energy: -242.064679
where:
bonds (distance) C4'-P energy: -38.269
bonds (distance) P-C4' energy: -48.053
flat angles C4'-P-C4' energy: -56.816
flat angles P-C4'-P energy: -37.102
tors. eta vs tors. theta energy: -61.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -664.530583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.530583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.530583 (E_RNA)
where:
Base-Base interactions energy: -418.879
where: short stacking energy: -197.641
Base-Backbone interact. energy: -0.696
local terms energy: -244.955671
where:
bonds (distance) C4'-P energy: -45.371
bonds (distance) P-C4' energy: -49.932
flat angles C4'-P-C4' energy: -58.395
flat angles P-C4'-P energy: -39.589
tors. eta vs tors. theta energy: -51.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -595.141249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.141249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.141249 (E_RNA)
where:
Base-Base interactions energy: -379.598
where: short stacking energy: -161.761
Base-Backbone interact. energy: 0.796
local terms energy: -216.338909
where:
bonds (distance) C4'-P energy: -54.379
bonds (distance) P-C4' energy: -46.897
flat angles C4'-P-C4' energy: -46.528
flat angles P-C4'-P energy: -41.626
tors. eta vs tors. theta energy: -26.910
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: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -465.950934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.950934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.950934 (E_RNA)
where:
Base-Base interactions energy: -267.482
where: short stacking energy: -125.721
Base-Backbone interact. energy: -0.990
local terms energy: -197.479127
where:
bonds (distance) C4'-P energy: -46.563
bonds (distance) P-C4' energy: -48.528
flat angles C4'-P-C4' energy: -51.919
flat angles P-C4'-P energy: -33.782
tors. eta vs tors. theta energy: -16.687
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: 6
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -238.170087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.170087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.170087 (E_RNA)
where:
Base-Base interactions energy: -73.310
where: short stacking energy: -73.910
Base-Backbone interact. energy: -0.409
local terms energy: -164.451630
where:
bonds (distance) C4'-P energy: -48.822
bonds (distance) P-C4' energy: -46.737
flat angles C4'-P-C4' energy: -40.006
flat angles P-C4'-P energy: -25.660
tors. eta vs tors. theta energy: -3.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1026.456992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.456992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.456992 (E_RNA)
where:
Base-Base interactions energy: -704.947
where: short stacking energy: -296.553
Base-Backbone interact. energy: 0.181
local terms energy: -321.691109
where:
bonds (distance) C4'-P energy: -57.376
bonds (distance) P-C4' energy: -57.392
flat angles C4'-P-C4' energy: -65.541
flat angles P-C4'-P energy: -48.493
tors. eta vs tors. theta energy: -92.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -965.379473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.379473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.379473 (E_RNA)
where:
Base-Base interactions energy: -665.425
where: short stacking energy: -277.423
Base-Backbone interact. energy: -1.112
local terms energy: -298.842244
where:
bonds (distance) C4'-P energy: -51.451
bonds (distance) P-C4' energy: -57.554
flat angles C4'-P-C4' energy: -62.119
flat angles P-C4'-P energy: -43.027
tors. eta vs tors. theta energy: -84.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -932.861262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.861262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.861262 (E_RNA)
where:
Base-Base interactions energy: -645.611
where: short stacking energy: -282.259
Base-Backbone interact. energy: -0.592
local terms energy: -286.659083
where:
bonds (distance) C4'-P energy: -51.669
bonds (distance) P-C4' energy: -60.892
flat angles C4'-P-C4' energy: -61.434
flat angles P-C4'-P energy: -32.939
tors. eta vs tors. theta energy: -79.724
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: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -854.442680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.442680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.442680 (E_RNA)
where:
Base-Base interactions energy: -585.110
where: short stacking energy: -250.536
Base-Backbone interact. energy: -0.309
local terms energy: -269.023389
where:
bonds (distance) C4'-P energy: -42.196
bonds (distance) P-C4' energy: -65.711
flat angles C4'-P-C4' energy: -54.176
flat angles P-C4'-P energy: -36.581
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: 5, replica: 2
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -757.026153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.026153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.026153 (E_RNA)
where:
Base-Base interactions energy: -486.702
where: short stacking energy: -241.117
Base-Backbone interact. energy: -3.104
local terms energy: -267.219583
where:
bonds (distance) C4'-P energy: -37.223
bonds (distance) P-C4' energy: -60.962
flat angles C4'-P-C4' energy: -57.031
flat angles P-C4'-P energy: -37.546
tors. eta vs tors. theta energy: -74.457
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: 182
Temperature: 1.150000
Total energy: -763.211172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.211172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.211172 (E_RNA)
where:
Base-Base interactions energy: -533.195
where: short stacking energy: -224.315
Base-Backbone interact. energy: -0.726
local terms energy: -229.290168
where:
bonds (distance) C4'-P energy: -44.233
bonds (distance) P-C4' energy: -46.745
flat angles C4'-P-C4' energy: -55.727
flat angles P-C4'-P energy: -25.586
tors. eta vs tors. theta energy: -56.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -639.363848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.363848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.363848 (E_RNA)
where:
Base-Base interactions energy: -437.197
where: short stacking energy: -183.477
Base-Backbone interact. energy: 4.939
local terms energy: -207.106102
where:
bonds (distance) C4'-P energy: -43.612
bonds (distance) P-C4' energy: -38.445
flat angles C4'-P-C4' energy: -48.955
flat angles P-C4'-P energy: -29.367
tors. eta vs tors. theta energy: -46.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -552.035475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.035475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.035475 (E_RNA)
where:
Base-Base interactions energy: -342.324
where: short stacking energy: -169.567
Base-Backbone interact. energy: -0.465
local terms energy: -209.246131
where:
bonds (distance) C4'-P energy: -40.472
bonds (distance) P-C4' energy: -58.971
flat angles C4'-P-C4' energy: -47.657
flat angles P-C4'-P energy: -22.888
tors. eta vs tors. theta energy: -39.258
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: 9, replica: 1
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -444.487698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.487698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.487698 (E_RNA)
where:
Base-Base interactions energy: -278.202
where: short stacking energy: -125.865
Base-Backbone interact. energy: -0.967
local terms energy: -165.318540
where:
bonds (distance) C4'-P energy: -53.645
bonds (distance) P-C4' energy: -44.060
flat angles C4'-P-C4' energy: -28.405
flat angles P-C4'-P energy: -22.354
tors. eta vs tors. theta energy: -16.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -263.505526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.505526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.505526 (E_RNA)
where:
Base-Base interactions energy: -82.637
where: short stacking energy: -74.648
Base-Backbone interact. energy: -0.799
local terms energy: -180.070224
where:
bonds (distance) C4'-P energy: -52.135
bonds (distance) P-C4' energy: -41.970
flat angles C4'-P-C4' energy: -47.726
flat angles P-C4'-P energy: -28.249
tors. eta vs tors. theta energy: -9.989
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: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1036.247618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.247618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.247618 (E_RNA)
where:
Base-Base interactions energy: -722.527
where: short stacking energy: -306.908
Base-Backbone interact. energy: -0.695
local terms energy: -313.024997
where:
bonds (distance) C4'-P energy: -61.454
bonds (distance) P-C4' energy: -55.758
flat angles C4'-P-C4' energy: -62.816
flat angles P-C4'-P energy: -49.758
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: 2, replica: 7
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -965.682582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.682582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.682582 (E_RNA)
where:
Base-Base interactions energy: -670.296
where: short stacking energy: -288.055
Base-Backbone interact. energy: -0.694
local terms energy: -294.692849
where:
bonds (distance) C4'-P energy: -50.202
bonds (distance) P-C4' energy: -52.372
flat angles C4'-P-C4' energy: -66.514
flat angles P-C4'-P energy: -41.454
tors. eta vs tors. theta energy: -84.152
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: 8
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -956.113400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.113400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.113400 (E_RNA)
where:
Base-Base interactions energy: -656.074
where: short stacking energy: -291.057
Base-Backbone interact. energy: -0.089
local terms energy: -299.950342
where:
bonds (distance) C4'-P energy: -53.443
bonds (distance) P-C4' energy: -47.897
flat angles C4'-P-C4' energy: -62.018
flat angles P-C4'-P energy: -50.045
tors. eta vs tors. theta energy: -86.547
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: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -849.652264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.652264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.652264 (E_RNA)
where:
Base-Base interactions energy: -591.882
where: short stacking energy: -265.621
Base-Backbone interact. energy: -0.931
local terms energy: -256.839379
where:
bonds (distance) C4'-P energy: -54.851
bonds (distance) P-C4' energy: -39.055
flat angles C4'-P-C4' energy: -56.336
flat angles P-C4'-P energy: -43.279
tors. eta vs tors. theta energy: -63.318
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: 2
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -782.955690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.955690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.955690 (E_RNA)
where:
Base-Base interactions energy: -524.662
where: short stacking energy: -265.830
Base-Backbone interact. energy: -0.760
local terms energy: -257.534447
where:
bonds (distance) C4'-P energy: -36.248
bonds (distance) P-C4' energy: -50.726
flat angles C4'-P-C4' energy: -55.311
flat angles P-C4'-P energy: -37.127
tors. eta vs tors. theta energy: -78.123
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: 6, replica: 5
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -784.134865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.134865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.134865 (E_RNA)
where:
Base-Base interactions energy: -532.361
where: short stacking energy: -243.117
Base-Backbone interact. energy: -0.818
local terms energy: -250.955384
where:
bonds (distance) C4'-P energy: -47.772
bonds (distance) P-C4' energy: -42.940
flat angles C4'-P-C4' energy: -59.671
flat angles P-C4'-P energy: -37.087
tors. eta vs tors. theta energy: -63.485
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: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -642.495161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.495161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.495161 (E_RNA)
where:
Base-Base interactions energy: -408.952
where: short stacking energy: -178.383
Base-Backbone interact. energy: 0.383
local terms energy: -233.926202
where:
bonds (distance) C4'-P energy: -50.635
bonds (distance) P-C4' energy: -57.353
flat angles C4'-P-C4' energy: -56.455
flat angles P-C4'-P energy: -33.890
tors. eta vs tors. theta energy: -35.592
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: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -556.200268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.200268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.200268 (E_RNA)
where:
Base-Base interactions energy: -337.969
where: short stacking energy: -161.607
Base-Backbone interact. energy: -1.085
local terms energy: -217.146181
where:
bonds (distance) C4'-P energy: -46.820
bonds (distance) P-C4' energy: -52.713
flat angles C4'-P-C4' energy: -49.789
flat angles P-C4'-P energy: -33.789
tors. eta vs tors. theta energy: -34.035
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: 1
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -467.135785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.135785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.135785 (E_RNA)
where:
Base-Base interactions energy: -269.026
where: short stacking energy: -146.757
Base-Backbone interact. energy: -0.601
local terms energy: -197.508602
where:
bonds (distance) C4'-P energy: -42.184
bonds (distance) P-C4' energy: -51.089
flat angles C4'-P-C4' energy: -49.029
flat angles P-C4'-P energy: -26.176
tors. eta vs tors. theta energy: -29.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -242.407392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.407392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.407392 (E_RNA)
where:
Base-Base interactions energy: -99.737
where: short stacking energy: -63.817
Base-Backbone interact. energy: 1.581
local terms energy: -144.251067
where:
bonds (distance) C4'-P energy: -38.540
bonds (distance) P-C4' energy: -62.685
flat angles C4'-P-C4' energy: -35.262
flat angles P-C4'-P energy: -22.032
tors. eta vs tors. theta energy: 14.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -1018.485469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.485469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.485469 (E_RNA)
where:
Base-Base interactions energy: -709.618
where: short stacking energy: -306.045
Base-Backbone interact. energy: -1.725
local terms energy: -307.142511
where:
bonds (distance) C4'-P energy: -55.253
bonds (distance) P-C4' energy: -54.969
flat angles C4'-P-C4' energy: -64.998
flat angles P-C4'-P energy: -48.709
tors. eta vs tors. theta energy: -83.214
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: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -965.152869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.152869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.152869 (E_RNA)
where:
Base-Base interactions energy: -665.897
where: short stacking energy: -286.244
Base-Backbone interact. energy: -1.782
local terms energy: -297.474375
where:
bonds (distance) C4'-P energy: -56.664
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -62.702
flat angles P-C4'-P energy: -41.701
tors. eta vs tors. theta energy: -93.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -969.115748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.115748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.115748 (E_RNA)
where:
Base-Base interactions energy: -664.421
where: short stacking energy: -302.907
Base-Backbone interact. energy: -0.763
local terms energy: -303.932380
where:
bonds (distance) C4'-P energy: -53.137
bonds (distance) P-C4' energy: -59.553
flat angles C4'-P-C4' energy: -58.616
flat angles P-C4'-P energy: -45.526
tors. eta vs tors. theta energy: -87.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -848.682098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.682098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.682098 (E_RNA)
where:
Base-Base interactions energy: -588.223
where: short stacking energy: -242.225
Base-Backbone interact. energy: -0.796
local terms energy: -259.663258
where:
bonds (distance) C4'-P energy: -52.175
bonds (distance) P-C4' energy: -49.088
flat angles C4'-P-C4' energy: -56.033
flat angles P-C4'-P energy: -39.642
tors. eta vs tors. theta energy: -62.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -824.929455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.929455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.929455 (E_RNA)
where:
Base-Base interactions energy: -571.552
where: short stacking energy: -252.453
Base-Backbone interact. energy: -0.882
local terms energy: -252.495313
where:
bonds (distance) C4'-P energy: -42.540
bonds (distance) P-C4' energy: -49.833
flat angles C4'-P-C4' energy: -59.001
flat angles P-C4'-P energy: -37.098
tors. eta vs tors. theta energy: -64.024
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: 2
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -734.439596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.439596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.439596 (E_RNA)
where:
Base-Base interactions energy: -472.914
where: short stacking energy: -215.291
Base-Backbone interact. energy: -0.570
local terms energy: -260.955537
where:
bonds (distance) C4'-P energy: -42.284
bonds (distance) P-C4' energy: -53.972
flat angles C4'-P-C4' energy: -59.997
flat angles P-C4'-P energy: -38.541
tors. eta vs tors. theta energy: -66.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -551.730947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.730947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.730947 (E_RNA)
where:
Base-Base interactions energy: -340.512
where: short stacking energy: -170.648
Base-Backbone interact. energy: 1.268
local terms energy: -212.487162
where:
bonds (distance) C4'-P energy: -46.187
bonds (distance) P-C4' energy: -49.361
flat angles C4'-P-C4' energy: -46.785
flat angles P-C4'-P energy: -32.801
tors. eta vs tors. theta energy: -37.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -584.929015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.929015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.929015 (E_RNA)
where:
Base-Base interactions energy: -385.780
where: short stacking energy: -162.100
Base-Backbone interact. energy: -0.675
local terms energy: -198.473738
where:
bonds (distance) C4'-P energy: -33.758
bonds (distance) P-C4' energy: -50.351
flat angles C4'-P-C4' energy: -36.144
flat angles P-C4'-P energy: -29.064
tors. eta vs tors. theta energy: -49.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -454.625814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.625814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.625814 (E_RNA)
where:
Base-Base interactions energy: -264.066
where: short stacking energy: -125.490
Base-Backbone interact. energy: -0.412
local terms energy: -190.148053
where:
bonds (distance) C4'-P energy: -43.962
bonds (distance) P-C4' energy: -39.941
flat angles C4'-P-C4' energy: -49.099
flat angles P-C4'-P energy: -33.054
tors. eta vs tors. theta energy: -24.091
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: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -240.252812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.252812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.252812 (E_RNA)
where:
Base-Base interactions energy: -76.776
where: short stacking energy: -62.281
Base-Backbone interact. energy: 1.200
local terms energy: -164.676022
where:
bonds (distance) C4'-P energy: -58.784
bonds (distance) P-C4' energy: -48.821
flat angles C4'-P-C4' energy: -38.755
flat angles P-C4'-P energy: -30.487
tors. eta vs tors. theta energy: 12.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1035.451654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.451654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.451654 (E_RNA)
where:
Base-Base interactions energy: -723.529
where: short stacking energy: -292.184
Base-Backbone interact. energy: -1.431
local terms energy: -310.490953
where:
bonds (distance) C4'-P energy: -54.930
bonds (distance) P-C4' energy: -62.613
flat angles C4'-P-C4' energy: -67.063
flat angles P-C4'-P energy: -38.882
tors. eta vs tors. theta energy: -87.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -965.180281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.180281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.180281 (E_RNA)
where:
Base-Base interactions energy: -652.787
where: short stacking energy: -295.401
Base-Backbone interact. energy: -3.198
local terms energy: -309.195035
where:
bonds (distance) C4'-P energy: -56.249
bonds (distance) P-C4' energy: -54.441
flat angles C4'-P-C4' energy: -65.129
flat angles P-C4'-P energy: -42.599
tors. eta vs tors. theta energy: -90.777
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: 185
Temperature: 1.000000
Total energy: -970.394863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.394863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.394863 (E_RNA)
where:
Base-Base interactions energy: -658.246
where: short stacking energy: -278.167
Base-Backbone interact. energy: 0.409
local terms energy: -312.558456
where:
bonds (distance) C4'-P energy: -54.580
bonds (distance) P-C4' energy: -54.597
flat angles C4'-P-C4' energy: -69.014
flat angles P-C4'-P energy: -46.026
tors. eta vs tors. theta energy: -88.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -839.145268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.145268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.145268 (E_RNA)
where:
Base-Base interactions energy: -569.272
where: short stacking energy: -246.607
Base-Backbone interact. energy: -0.201
local terms energy: -269.672174
where:
bonds (distance) C4'-P energy: -52.518
bonds (distance) P-C4' energy: -55.075
flat angles C4'-P-C4' energy: -60.450
flat angles P-C4'-P energy: -29.810
tors. eta vs tors. theta energy: -71.819
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: 5
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -814.050430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.050430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.050430 (E_RNA)
where:
Base-Base interactions energy: -561.559
where: short stacking energy: -258.101
Base-Backbone interact. energy: -1.360
local terms energy: -251.130781
where:
bonds (distance) C4'-P energy: -43.795
bonds (distance) P-C4' energy: -41.097
flat angles C4'-P-C4' energy: -56.458
flat angles P-C4'-P energy: -41.256
tors. eta vs tors. theta energy: -68.526
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: 185
Temperature: 1.150000
Total energy: -727.329264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.329264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.329264 (E_RNA)
where:
Base-Base interactions energy: -477.707
where: short stacking energy: -222.772
Base-Backbone interact. energy: -0.615
local terms energy: -249.007134
where:
bonds (distance) C4'-P energy: -35.711
bonds (distance) P-C4' energy: -52.950
flat angles C4'-P-C4' energy: -55.161
flat angles P-C4'-P energy: -39.336
tors. eta vs tors. theta energy: -65.849
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: 9
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -584.423349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.423349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.423349 (E_RNA)
where:
Base-Base interactions energy: -363.357
where: short stacking energy: -162.576
Base-Backbone interact. energy: -0.950
local terms energy: -220.115473
where:
bonds (distance) C4'-P energy: -49.657
bonds (distance) P-C4' energy: -55.795
flat angles C4'-P-C4' energy: -54.927
flat angles P-C4'-P energy: -26.988
tors. eta vs tors. theta energy: -32.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -570.900787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.900787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.900787 (E_RNA)
where:
Base-Base interactions energy: -369.581
where: short stacking energy: -152.928
Base-Backbone interact. energy: 1.586
local terms energy: -202.905953
where:
bonds (distance) C4'-P energy: -46.672
bonds (distance) P-C4' energy: -41.769
flat angles C4'-P-C4' energy: -59.095
flat angles P-C4'-P energy: -23.008
tors. eta vs tors. theta energy: -32.362
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: 1
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -439.975919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.975919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.975919 (E_RNA)
where:
Base-Base interactions energy: -259.203
where: short stacking energy: -119.830
Base-Backbone interact. energy: 0.424
local terms energy: -181.196716
where:
bonds (distance) C4'-P energy: -53.015
bonds (distance) P-C4' energy: -49.963
flat angles C4'-P-C4' energy: -40.555
flat angles P-C4'-P energy: -20.389
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -239.177126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.177126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.177126 (E_RNA)
where:
Base-Base interactions energy: -88.725
where: short stacking energy: -75.362
Base-Backbone interact. energy: 3.668
local terms energy: -154.119734
where:
bonds (distance) C4'-P energy: -44.879
bonds (distance) P-C4' energy: -59.468
flat angles C4'-P-C4' energy: -44.731
flat angles P-C4'-P energy: -17.365
tors. eta vs tors. theta energy: 12.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1023.109082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.109082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.109082 (E_RNA)
where:
Base-Base interactions energy: -715.439
where: short stacking energy: -288.834
Base-Backbone interact. energy: -1.059
local terms energy: -306.611006
where:
bonds (distance) C4'-P energy: -59.141
bonds (distance) P-C4' energy: -59.268
flat angles C4'-P-C4' energy: -62.540
flat angles P-C4'-P energy: -39.302
tors. eta vs tors. theta energy: -86.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -953.268869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.268869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.268869 (E_RNA)
where:
Base-Base interactions energy: -654.230
where: short stacking energy: -301.378
Base-Backbone interact. energy: -1.465
local terms energy: -297.574248
where:
bonds (distance) C4'-P energy: -54.168
bonds (distance) P-C4' energy: -53.483
flat angles C4'-P-C4' energy: -57.878
flat angles P-C4'-P energy: -45.336
tors. eta vs tors. theta energy: -86.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -948.377866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.377866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.377866 (E_RNA)
where:
Base-Base interactions energy: -639.597
where: short stacking energy: -268.725
Base-Backbone interact. energy: -0.679
local terms energy: -308.102083
where:
bonds (distance) C4'-P energy: -60.060
bonds (distance) P-C4' energy: -52.800
flat angles C4'-P-C4' energy: -64.039
flat angles P-C4'-P energy: -44.465
tors. eta vs tors. theta energy: -86.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -841.624547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.624547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.624547 (E_RNA)
where:
Base-Base interactions energy: -564.895
where: short stacking energy: -257.140
Base-Backbone interact. energy: -0.285
local terms energy: -276.444368
where:
bonds (distance) C4'-P energy: -48.797
bonds (distance) P-C4' energy: -61.864
flat angles C4'-P-C4' energy: -56.746
flat angles P-C4'-P energy: -41.335
tors. eta vs tors. theta energy: -67.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -830.373851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.373851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.373851 (E_RNA)
where:
Base-Base interactions energy: -569.139
where: short stacking energy: -238.012
Base-Backbone interact. energy: -1.252
local terms energy: -259.983088
where:
bonds (distance) C4'-P energy: -50.852
bonds (distance) P-C4' energy: -53.308
flat angles C4'-P-C4' energy: -54.536
flat angles P-C4'-P energy: -31.348
tors. eta vs tors. theta energy: -69.939
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: 2
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -719.333162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.333162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.333162 (E_RNA)
where:
Base-Base interactions energy: -470.122
where: short stacking energy: -218.929
Base-Backbone interact. energy: -1.766
local terms energy: -247.445053
where:
bonds (distance) C4'-P energy: -45.618
bonds (distance) P-C4' energy: -44.596
flat angles C4'-P-C4' energy: -61.558
flat angles P-C4'-P energy: -36.150
tors. eta vs tors. theta energy: -59.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -650.414774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.414774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.414774 (E_RNA)
where:
Base-Base interactions energy: -422.885
where: short stacking energy: -183.908
Base-Backbone interact. energy: -1.668
local terms energy: -225.861437
where:
bonds (distance) C4'-P energy: -44.010
bonds (distance) P-C4' energy: -58.918
flat angles C4'-P-C4' energy: -41.053
flat angles P-C4'-P energy: -29.615
tors. eta vs tors. theta energy: -52.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -571.281110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.281110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.281110 (E_RNA)
where:
Base-Base interactions energy: -360.729
where: short stacking energy: -168.147
Base-Backbone interact. energy: 0.126
local terms energy: -210.677595
where:
bonds (distance) C4'-P energy: -44.888
bonds (distance) P-C4' energy: -49.247
flat angles C4'-P-C4' energy: -52.930
flat angles P-C4'-P energy: -33.060
tors. eta vs tors. theta energy: -30.553
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: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -456.542843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.542843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.542843 (E_RNA)
where:
Base-Base interactions energy: -260.267
where: short stacking energy: -133.889
Base-Backbone interact. energy: -0.542
local terms energy: -195.733896
where:
bonds (distance) C4'-P energy: -44.793
bonds (distance) P-C4' energy: -44.334
flat angles C4'-P-C4' energy: -54.221
flat angles P-C4'-P energy: -24.151
tors. eta vs tors. theta energy: -28.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -275.799101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.799101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.799101 (E_RNA)
where:
Base-Base interactions energy: -116.441
where: short stacking energy: -71.658
Base-Backbone interact. energy: 1.560
local terms energy: -160.917832
where:
bonds (distance) C4'-P energy: -49.129
bonds (distance) P-C4' energy: -48.412
flat angles C4'-P-C4' energy: -29.025
flat angles P-C4'-P energy: -26.641
tors. eta vs tors. theta energy: -7.712
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: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1020.459001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.459001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.459001 (E_RNA)
where:
Base-Base interactions energy: -699.079
where: short stacking energy: -303.216
Base-Backbone interact. energy: -1.803
local terms energy: -319.577033
where:
bonds (distance) C4'-P energy: -59.459
bonds (distance) P-C4' energy: -57.619
flat angles C4'-P-C4' energy: -65.026
flat angles P-C4'-P energy: -45.329
tors. eta vs tors. theta energy: -92.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -977.064203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.064203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.064203 (E_RNA)
where:
Base-Base interactions energy: -678.468
where: short stacking energy: -291.008
Base-Backbone interact. energy: -1.862
local terms energy: -296.734948
where:
bonds (distance) C4'-P energy: -55.732
bonds (distance) P-C4' energy: -49.265
flat angles C4'-P-C4' energy: -64.013
flat angles P-C4'-P energy: -45.115
tors. eta vs tors. theta energy: -82.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -937.753445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.753445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.753445 (E_RNA)
where:
Base-Base interactions energy: -634.431
where: short stacking energy: -292.351
Base-Backbone interact. energy: -0.438
local terms energy: -302.884084
where:
bonds (distance) C4'-P energy: -55.456
bonds (distance) P-C4' energy: -54.510
flat angles C4'-P-C4' energy: -65.065
flat angles P-C4'-P energy: -43.790
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: 4, replica: 5
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -846.624026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.624026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.624026 (E_RNA)
where:
Base-Base interactions energy: -589.000
where: short stacking energy: -257.303
Base-Backbone interact. energy: 0.059
local terms energy: -257.683841
where:
bonds (distance) C4'-P energy: -52.928
bonds (distance) P-C4' energy: -38.596
flat angles C4'-P-C4' energy: -56.956
flat angles P-C4'-P energy: -35.037
tors. eta vs tors. theta energy: -74.167
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: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -841.416269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.416269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.416269 (E_RNA)
where:
Base-Base interactions energy: -582.430
where: short stacking energy: -246.647
Base-Backbone interact. energy: -1.231
local terms energy: -257.754889
where:
bonds (distance) C4'-P energy: -57.267
bonds (distance) P-C4' energy: -43.979
flat angles C4'-P-C4' energy: -63.610
flat angles P-C4'-P energy: -29.193
tors. eta vs tors. theta energy: -63.705
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: 6, replica: 2
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -737.033809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.033809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.033809 (E_RNA)
where:
Base-Base interactions energy: -476.012
where: short stacking energy: -239.609
Base-Backbone interact. energy: -1.724
local terms energy: -259.297439
where:
bonds (distance) C4'-P energy: -52.454
bonds (distance) P-C4' energy: -58.997
flat angles C4'-P-C4' energy: -56.977
flat angles P-C4'-P energy: -28.447
tors. eta vs tors. theta energy: -62.421
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: 10
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -631.207094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.207094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.207094 (E_RNA)
where:
Base-Base interactions energy: -400.882
where: short stacking energy: -178.083
Base-Backbone interact. energy: -0.740
local terms energy: -229.585725
where:
bonds (distance) C4'-P energy: -43.327
bonds (distance) P-C4' energy: -51.144
flat angles C4'-P-C4' energy: -60.632
flat angles P-C4'-P energy: -33.601
tors. eta vs tors. theta energy: -40.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -605.321621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.321621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.321621 (E_RNA)
where:
Base-Base interactions energy: -388.379
where: short stacking energy: -180.752
Base-Backbone interact. energy: 5.378
local terms energy: -222.320460
where:
bonds (distance) C4'-P energy: -52.785
bonds (distance) P-C4' energy: -47.145
flat angles C4'-P-C4' energy: -49.291
flat angles P-C4'-P energy: -21.775
tors. eta vs tors. theta energy: -51.325
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: 187
Temperature: 1.300000
Total energy: -482.629073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.629073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.629073 (E_RNA)
where:
Base-Base interactions energy: -287.994
where: short stacking energy: -131.771
Base-Backbone interact. energy: -0.778
local terms energy: -193.856828
where:
bonds (distance) C4'-P energy: -41.257
bonds (distance) P-C4' energy: -44.588
flat angles C4'-P-C4' energy: -50.538
flat angles P-C4'-P energy: -36.188
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -272.876920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.876920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.876920 (E_RNA)
where:
Base-Base interactions energy: -122.368
where: short stacking energy: -73.652
Base-Backbone interact. energy: 0.073
local terms energy: -150.581360
where:
bonds (distance) C4'-P energy: -34.696
bonds (distance) P-C4' energy: -48.425
flat angles C4'-P-C4' energy: -43.685
flat angles P-C4'-P energy: -25.112
tors. eta vs tors. theta energy: 1.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -984.869431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.869431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.869431 (E_RNA)
where:
Base-Base interactions energy: -682.229
where: short stacking energy: -293.088
Base-Backbone interact. energy: -0.098
local terms energy: -302.543056
where:
bonds (distance) C4'-P energy: -53.358
bonds (distance) P-C4' energy: -51.213
flat angles C4'-P-C4' energy: -65.237
flat angles P-C4'-P energy: -44.052
tors. eta vs tors. theta energy: -88.683
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: 4
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1018.248565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.248565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.248565 (E_RNA)
where:
Base-Base interactions energy: -712.250
where: short stacking energy: -298.455
Base-Backbone interact. energy: -0.252
local terms energy: -305.746985
where:
bonds (distance) C4'-P energy: -48.828
bonds (distance) P-C4' energy: -58.988
flat angles C4'-P-C4' energy: -64.167
flat angles P-C4'-P energy: -47.715
tors. eta vs tors. theta energy: -86.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -956.616148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.616148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.616148 (E_RNA)
where:
Base-Base interactions energy: -648.856
where: short stacking energy: -293.882
Base-Backbone interact. energy: -0.209
local terms energy: -307.551792
where:
bonds (distance) C4'-P energy: -47.551
bonds (distance) P-C4' energy: -64.037
flat angles C4'-P-C4' energy: -64.256
flat angles P-C4'-P energy: -46.796
tors. eta vs tors. theta energy: -84.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -854.098173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.098173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.098173 (E_RNA)
where:
Base-Base interactions energy: -584.501
where: short stacking energy: -260.004
Base-Backbone interact. energy: 1.367
local terms energy: -270.963754
where:
bonds (distance) C4'-P energy: -48.802
bonds (distance) P-C4' energy: -53.280
flat angles C4'-P-C4' energy: -57.780
flat angles P-C4'-P energy: -38.596
tors. eta vs tors. theta energy: -72.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -828.052297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.052297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.052297 (E_RNA)
where:
Base-Base interactions energy: -571.131
where: short stacking energy: -242.199
Base-Backbone interact. energy: -1.129
local terms energy: -255.792418
where:
bonds (distance) C4'-P energy: -44.339
bonds (distance) P-C4' energy: -60.011
flat angles C4'-P-C4' energy: -60.002
flat angles P-C4'-P energy: -31.731
tors. eta vs tors. theta energy: -59.709
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: 188
Temperature: 1.150000
Total energy: -723.268301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.268301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.268301 (E_RNA)
where:
Base-Base interactions energy: -483.139
where: short stacking energy: -229.345
Base-Backbone interact. energy: -1.322
local terms energy: -238.806741
where:
bonds (distance) C4'-P energy: -42.326
bonds (distance) P-C4' energy: -52.884
flat angles C4'-P-C4' energy: -53.948
flat angles P-C4'-P energy: -31.327
tors. eta vs tors. theta energy: -58.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -677.239887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.239887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.239887 (E_RNA)
where:
Base-Base interactions energy: -445.755
where: short stacking energy: -215.919
Base-Backbone interact. energy: -0.912
local terms energy: -230.573205
where:
bonds (distance) C4'-P energy: -48.394
bonds (distance) P-C4' energy: -44.784
flat angles C4'-P-C4' energy: -50.381
flat angles P-C4'-P energy: -35.781
tors. eta vs tors. theta energy: -51.234
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: 9
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -584.598094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.598094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.598094 (E_RNA)
where:
Base-Base interactions energy: -377.876
where: short stacking energy: -167.883
Base-Backbone interact. energy: 0.163
local terms energy: -206.885194
where:
bonds (distance) C4'-P energy: -50.611
bonds (distance) P-C4' energy: -47.505
flat angles C4'-P-C4' energy: -44.835
flat angles P-C4'-P energy: -31.093
tors. eta vs tors. theta energy: -32.842
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: 188
Temperature: 1.300000
Total energy: -483.989769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.989769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.989769 (E_RNA)
where:
Base-Base interactions energy: -294.998
where: short stacking energy: -151.681
Base-Backbone interact. energy: -0.943
local terms energy: -188.048784
where:
bonds (distance) C4'-P energy: -55.892
bonds (distance) P-C4' energy: -41.792
flat angles C4'-P-C4' energy: -53.048
flat angles P-C4'-P energy: -22.618
tors. eta vs tors. theta energy: -14.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -235.231947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.231947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.231947 (E_RNA)
where:
Base-Base interactions energy: -80.110
where: short stacking energy: -83.560
Base-Backbone interact. energy: 3.839
local terms energy: -158.961304
where:
bonds (distance) C4'-P energy: -44.369
bonds (distance) P-C4' energy: -57.078
flat angles C4'-P-C4' energy: -29.629
flat angles P-C4'-P energy: -31.653
tors. eta vs tors. theta energy: 3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -991.775881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.775881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.775881 (E_RNA)
where:
Base-Base interactions energy: -679.242
where: short stacking energy: -279.151
Base-Backbone interact. energy: -1.318
local terms energy: -311.216110
where:
bonds (distance) C4'-P energy: -57.208
bonds (distance) P-C4' energy: -59.471
flat angles C4'-P-C4' energy: -65.056
flat angles P-C4'-P energy: -42.712
tors. eta vs tors. theta energy: -86.769
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: 4
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1021.995971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.995971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.995971 (E_RNA)
where:
Base-Base interactions energy: -705.114
where: short stacking energy: -311.629
Base-Backbone interact. energy: -1.110
local terms energy: -315.771714
where:
bonds (distance) C4'-P energy: -60.746
bonds (distance) P-C4' energy: -59.309
flat angles C4'-P-C4' energy: -58.153
flat angles P-C4'-P energy: -48.673
tors. eta vs tors. theta energy: -88.891
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: 8
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -951.394279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.394279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.394279 (E_RNA)
where:
Base-Base interactions energy: -653.262
where: short stacking energy: -269.473
Base-Backbone interact. energy: -0.508
local terms energy: -297.625020
where:
bonds (distance) C4'-P energy: -52.784
bonds (distance) P-C4' energy: -56.519
flat angles C4'-P-C4' energy: -63.109
flat angles P-C4'-P energy: -43.120
tors. eta vs tors. theta energy: -82.092
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: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -856.232135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.232135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.232135 (E_RNA)
where:
Base-Base interactions energy: -586.975
where: short stacking energy: -274.624
Base-Backbone interact. energy: -0.976
local terms energy: -268.281736
where:
bonds (distance) C4'-P energy: -57.647
bonds (distance) P-C4' energy: -47.512
flat angles C4'-P-C4' energy: -51.796
flat angles P-C4'-P energy: -36.450
tors. eta vs tors. theta energy: -74.877
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: 3
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -794.795557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.795557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.795557 (E_RNA)
where:
Base-Base interactions energy: -536.853
where: short stacking energy: -230.583
Base-Backbone interact. energy: -0.411
local terms energy: -257.531683
where:
bonds (distance) C4'-P energy: -50.362
bonds (distance) P-C4' energy: -48.468
flat angles C4'-P-C4' energy: -66.449
flat angles P-C4'-P energy: -31.164
tors. eta vs tors. theta energy: -61.088
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: 2
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -738.079110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.079110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.079110 (E_RNA)
where:
Base-Base interactions energy: -478.650
where: short stacking energy: -233.722
Base-Backbone interact. energy: -0.486
local terms energy: -258.943384
where:
bonds (distance) C4'-P energy: -49.295
bonds (distance) P-C4' energy: -48.074
flat angles C4'-P-C4' energy: -45.530
flat angles P-C4'-P energy: -37.695
tors. eta vs tors. theta energy: -78.350
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: 189
Temperature: 1.200000
Total energy: -633.902448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.902448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.902448 (E_RNA)
where:
Base-Base interactions energy: -429.614
where: short stacking energy: -187.340
Base-Backbone interact. energy: -1.657
local terms energy: -202.632308
where:
bonds (distance) C4'-P energy: -41.823
bonds (distance) P-C4' energy: -50.607
flat angles C4'-P-C4' energy: -38.979
flat angles P-C4'-P energy: -27.649
tors. eta vs tors. theta energy: -43.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -506.937405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.937405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.937405 (E_RNA)
where:
Base-Base interactions energy: -305.204
where: short stacking energy: -134.028
Base-Backbone interact. energy: -1.223
local terms energy: -200.511020
where:
bonds (distance) C4'-P energy: -43.516
bonds (distance) P-C4' energy: -45.255
flat angles C4'-P-C4' energy: -55.857
flat angles P-C4'-P energy: -34.741
tors. eta vs tors. theta energy: -21.142
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: 9
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -565.005497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.005497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.005497 (E_RNA)
where:
Base-Base interactions energy: -352.391
where: short stacking energy: -163.601
Base-Backbone interact. energy: 0.501
local terms energy: -213.115001
where:
bonds (distance) C4'-P energy: -45.544
bonds (distance) P-C4' energy: -53.309
flat angles C4'-P-C4' energy: -52.698
flat angles P-C4'-P energy: -33.056
tors. eta vs tors. theta energy: -28.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -225.554756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.554756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.554756 (E_RNA)
where:
Base-Base interactions energy: -73.958
where: short stacking energy: -66.526
Base-Backbone interact. energy: 2.095
local terms energy: -153.691748
where:
bonds (distance) C4'-P energy: -43.927
bonds (distance) P-C4' energy: -52.018
flat angles C4'-P-C4' energy: -42.023
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1062.856642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.856642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.856642 (E_RNA)
where:
Base-Base interactions energy: -744.490
where: short stacking energy: -303.375
Base-Backbone interact. energy: -1.541
local terms energy: -316.825900
where:
bonds (distance) C4'-P energy: -65.361
bonds (distance) P-C4' energy: -54.266
flat angles C4'-P-C4' energy: -61.835
flat angles P-C4'-P energy: -45.918
tors. eta vs tors. theta energy: -89.446
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: 190
Temperature: 0.950000
Total energy: -989.293747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.293747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.293747 (E_RNA)
where:
Base-Base interactions energy: -681.524
where: short stacking energy: -303.566
Base-Backbone interact. energy: -0.462
local terms energy: -307.307800
where:
bonds (distance) C4'-P energy: -49.625
bonds (distance) P-C4' energy: -52.555
flat angles C4'-P-C4' energy: -67.280
flat angles P-C4'-P energy: -44.257
tors. eta vs tors. theta energy: -93.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -963.095681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.095681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.095681 (E_RNA)
where:
Base-Base interactions energy: -657.660
where: short stacking energy: -296.926
Base-Backbone interact. energy: -1.049
local terms energy: -304.386067
where:
bonds (distance) C4'-P energy: -49.603
bonds (distance) P-C4' energy: -54.146
flat angles C4'-P-C4' energy: -64.368
flat angles P-C4'-P energy: -47.391
tors. eta vs tors. theta energy: -88.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -863.941007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.941007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.941007 (E_RNA)
where:
Base-Base interactions energy: -581.553
where: short stacking energy: -241.354
Base-Backbone interact. energy: -1.761
local terms energy: -280.626938
where:
bonds (distance) C4'-P energy: -59.593
bonds (distance) P-C4' energy: -43.574
flat angles C4'-P-C4' energy: -66.408
flat angles P-C4'-P energy: -40.794
tors. eta vs tors. theta energy: -70.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -805.966949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.966949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.966949 (E_RNA)
where:
Base-Base interactions energy: -542.469
where: short stacking energy: -234.052
Base-Backbone interact. energy: -1.461
local terms energy: -262.037223
where:
bonds (distance) C4'-P energy: -52.076
bonds (distance) P-C4' energy: -43.510
flat angles C4'-P-C4' energy: -56.098
flat angles P-C4'-P energy: -39.605
tors. eta vs tors. theta energy: -70.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -731.688182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.688182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.688182 (E_RNA)
where:
Base-Base interactions energy: -504.765
where: short stacking energy: -239.259
Base-Backbone interact. energy: -0.002
local terms energy: -226.921088
where:
bonds (distance) C4'-P energy: -40.269
bonds (distance) P-C4' energy: -44.056
flat angles C4'-P-C4' energy: -42.401
flat angles P-C4'-P energy: -38.305
tors. eta vs tors. theta energy: -61.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -685.574305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.574305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.574305 (E_RNA)
where:
Base-Base interactions energy: -452.542
where: short stacking energy: -205.036
Base-Backbone interact. energy: 0.131
local terms energy: -233.163676
where:
bonds (distance) C4'-P energy: -47.981
bonds (distance) P-C4' energy: -42.149
flat angles C4'-P-C4' energy: -52.241
flat angles P-C4'-P energy: -37.704
tors. eta vs tors. theta energy: -53.088
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: 1
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -482.075218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.075218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.075218 (E_RNA)
where:
Base-Base interactions energy: -277.399
where: short stacking energy: -146.767
Base-Backbone interact. energy: -0.140
local terms energy: -204.535826
where:
bonds (distance) C4'-P energy: -53.534
bonds (distance) P-C4' energy: -48.223
flat angles C4'-P-C4' energy: -47.480
flat angles P-C4'-P energy: -24.947
tors. eta vs tors. theta energy: -30.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -551.188523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.188523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.188523 (E_RNA)
where:
Base-Base interactions energy: -349.340
where: short stacking energy: -161.547
Base-Backbone interact. energy: -0.828
local terms energy: -201.020187
where:
bonds (distance) C4'-P energy: -40.136
bonds (distance) P-C4' energy: -52.404
flat angles C4'-P-C4' energy: -49.160
flat angles P-C4'-P energy: -28.665
tors. eta vs tors. theta energy: -30.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -256.341255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.341255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.341255 (E_RNA)
where:
Base-Base interactions energy: -113.632
where: short stacking energy: -79.124
Base-Backbone interact. energy: 4.896
local terms energy: -147.605594
where:
bonds (distance) C4'-P energy: -47.137
bonds (distance) P-C4' energy: -47.734
flat angles C4'-P-C4' energy: -38.653
flat angles P-C4'-P energy: -22.761
tors. eta vs tors. theta energy: 8.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1031.066075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.066075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.066075 (E_RNA)
where:
Base-Base interactions energy: -714.174
where: short stacking energy: -293.103
Base-Backbone interact. energy: -3.271
local terms energy: -313.621715
where:
bonds (distance) C4'-P energy: -47.145
bonds (distance) P-C4' energy: -64.762
flat angles C4'-P-C4' energy: -65.064
flat angles P-C4'-P energy: -43.789
tors. eta vs tors. theta energy: -92.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -964.778500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.778500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.778500 (E_RNA)
where:
Base-Base interactions energy: -661.747
where: short stacking energy: -307.561
Base-Backbone interact. energy: 0.069
local terms energy: -303.100891
where:
bonds (distance) C4'-P energy: -48.102
bonds (distance) P-C4' energy: -59.882
flat angles C4'-P-C4' energy: -66.393
flat angles P-C4'-P energy: -40.044
tors. eta vs tors. theta energy: -88.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -959.099547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.099547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.099547 (E_RNA)
where:
Base-Base interactions energy: -663.966
where: short stacking energy: -280.966
Base-Backbone interact. energy: -0.143
local terms energy: -294.989840
where:
bonds (distance) C4'-P energy: -43.826
bonds (distance) P-C4' energy: -60.161
flat angles C4'-P-C4' energy: -65.718
flat angles P-C4'-P energy: -41.861
tors. eta vs tors. theta energy: -83.424
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: 191
Temperature: 1.050000
Total energy: -870.317013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.317013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.317013 (E_RNA)
where:
Base-Base interactions energy: -597.600
where: short stacking energy: -261.376
Base-Backbone interact. energy: -1.729
local terms energy: -270.988015
where:
bonds (distance) C4'-P energy: -49.948
bonds (distance) P-C4' energy: -53.093
flat angles C4'-P-C4' energy: -55.308
flat angles P-C4'-P energy: -36.145
tors. eta vs tors. theta energy: -76.494
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: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -798.417914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.417914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.417914 (E_RNA)
where:
Base-Base interactions energy: -535.891
where: short stacking energy: -229.962
Base-Backbone interact. energy: 0.475
local terms energy: -263.001717
where:
bonds (distance) C4'-P energy: -52.901
bonds (distance) P-C4' energy: -53.923
flat angles C4'-P-C4' energy: -57.587
flat angles P-C4'-P energy: -38.969
tors. eta vs tors. theta energy: -59.622
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: 191
Temperature: 1.150000
Total energy: -703.790734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.790734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.790734 (E_RNA)
where:
Base-Base interactions energy: -457.723
where: short stacking energy: -218.711
Base-Backbone interact. energy: -0.947
local terms energy: -245.120485
where:
bonds (distance) C4'-P energy: -47.927
bonds (distance) P-C4' energy: -53.523
flat angles C4'-P-C4' energy: -50.302
flat angles P-C4'-P energy: -40.599
tors. eta vs tors. theta energy: -52.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -671.049227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.049227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.049227 (E_RNA)
where:
Base-Base interactions energy: -437.174
where: short stacking energy: -196.952
Base-Backbone interact. energy: -1.299
local terms energy: -232.576636
where:
bonds (distance) C4'-P energy: -49.070
bonds (distance) P-C4' energy: -48.663
flat angles C4'-P-C4' energy: -47.803
flat angles P-C4'-P energy: -31.821
tors. eta vs tors. theta energy: -55.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -568.581927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.581927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.581927 (E_RNA)
where:
Base-Base interactions energy: -353.479
where: short stacking energy: -156.122
Base-Backbone interact. energy: -0.833
local terms energy: -214.269897
where:
bonds (distance) C4'-P energy: -49.822
bonds (distance) P-C4' energy: -47.693
flat angles C4'-P-C4' energy: -56.657
flat angles P-C4'-P energy: -17.380
tors. eta vs tors. theta energy: -42.718
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: 1
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -461.484621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.484621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.484621 (E_RNA)
where:
Base-Base interactions energy: -266.764
where: short stacking energy: -142.769
Base-Backbone interact. energy: 1.545
local terms energy: -196.265563
where:
bonds (distance) C4'-P energy: -42.215
bonds (distance) P-C4' energy: -58.456
flat angles C4'-P-C4' energy: -46.411
flat angles P-C4'-P energy: -20.064
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: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -272.461088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.461088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.461088 (E_RNA)
where:
Base-Base interactions energy: -123.324
where: short stacking energy: -93.597
Base-Backbone interact. energy: 0.213
local terms energy: -149.350592
where:
bonds (distance) C4'-P energy: -25.005
bonds (distance) P-C4' energy: -48.503
flat angles C4'-P-C4' energy: -46.637
flat angles P-C4'-P energy: -24.606
tors. eta vs tors. theta energy: -4.600
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: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1016.584828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.584828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.584828 (E_RNA)
where:
Base-Base interactions energy: -702.225
where: short stacking energy: -304.114
Base-Backbone interact. energy: -1.557
local terms energy: -312.803075
where:
bonds (distance) C4'-P energy: -58.004
bonds (distance) P-C4' energy: -48.647
flat angles C4'-P-C4' energy: -63.812
flat angles P-C4'-P energy: -54.215
tors. eta vs tors. theta energy: -88.125
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: 192
Temperature: 0.950000
Total energy: -972.447723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.447723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.447723 (E_RNA)
where:
Base-Base interactions energy: -654.503
where: short stacking energy: -276.722
Base-Backbone interact. energy: -0.903
local terms energy: -317.042254
where:
bonds (distance) C4'-P energy: -58.751
bonds (distance) P-C4' energy: -57.151
flat angles C4'-P-C4' energy: -71.254
flat angles P-C4'-P energy: -43.510
tors. eta vs tors. theta energy: -86.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -939.288195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.288195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.288195 (E_RNA)
where:
Base-Base interactions energy: -642.858
where: short stacking energy: -279.601
Base-Backbone interact. energy: -1.102
local terms energy: -295.328492
where:
bonds (distance) C4'-P energy: -55.355
bonds (distance) P-C4' energy: -55.718
flat angles C4'-P-C4' energy: -59.857
flat angles P-C4'-P energy: -46.285
tors. eta vs tors. theta energy: -78.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -880.031858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.031858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.031858 (E_RNA)
where:
Base-Base interactions energy: -606.579
where: short stacking energy: -268.409
Base-Backbone interact. energy: -1.157
local terms energy: -272.295843
where:
bonds (distance) C4'-P energy: -49.533
bonds (distance) P-C4' energy: -56.086
flat angles C4'-P-C4' energy: -55.166
flat angles P-C4'-P energy: -32.741
tors. eta vs tors. theta energy: -78.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -777.122835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.122835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.122835 (E_RNA)
where:
Base-Base interactions energy: -515.159
where: short stacking energy: -232.480
Base-Backbone interact. energy: -1.376
local terms energy: -260.588141
where:
bonds (distance) C4'-P energy: -55.276
bonds (distance) P-C4' energy: -44.054
flat angles C4'-P-C4' energy: -55.777
flat angles P-C4'-P energy: -36.895
tors. eta vs tors. theta energy: -68.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -714.786770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.786770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.786770 (E_RNA)
where:
Base-Base interactions energy: -461.340
where: short stacking energy: -209.865
Base-Backbone interact. energy: -1.167
local terms energy: -252.279316
where:
bonds (distance) C4'-P energy: -38.601
bonds (distance) P-C4' energy: -52.358
flat angles C4'-P-C4' energy: -62.801
flat angles P-C4'-P energy: -42.098
tors. eta vs tors. theta energy: -56.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -660.505166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.505166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.505166 (E_RNA)
where:
Base-Base interactions energy: -426.172
where: short stacking energy: -179.514
Base-Backbone interact. energy: -2.528
local terms energy: -231.805871
where:
bonds (distance) C4'-P energy: -41.113
bonds (distance) P-C4' energy: -48.429
flat angles C4'-P-C4' energy: -50.708
flat angles P-C4'-P energy: -41.290
tors. eta vs tors. theta energy: -50.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -553.828717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.828717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.828717 (E_RNA)
where:
Base-Base interactions energy: -336.028
where: short stacking energy: -160.104
Base-Backbone interact. energy: -1.141
local terms energy: -216.659303
where:
bonds (distance) C4'-P energy: -49.473
bonds (distance) P-C4' energy: -58.986
flat angles C4'-P-C4' energy: -39.169
flat angles P-C4'-P energy: -30.848
tors. eta vs tors. theta energy: -38.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -460.534072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.534072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.534072 (E_RNA)
where:
Base-Base interactions energy: -249.392
where: short stacking energy: -125.581
Base-Backbone interact. energy: -1.434
local terms energy: -209.708516
where:
bonds (distance) C4'-P energy: -60.654
bonds (distance) P-C4' energy: -52.674
flat angles C4'-P-C4' energy: -53.201
flat angles P-C4'-P energy: -24.527
tors. eta vs tors. theta energy: -18.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -265.807271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.807271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.807271 (E_RNA)
where:
Base-Base interactions energy: -112.057
where: short stacking energy: -86.015
Base-Backbone interact. energy: 3.202
local terms energy: -156.952233
where:
bonds (distance) C4'-P energy: -40.354
bonds (distance) P-C4' energy: -49.241
flat angles C4'-P-C4' energy: -34.293
flat angles P-C4'-P energy: -25.547
tors. eta vs tors. theta energy: -7.518
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: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1036.145714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.145714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.145714 (E_RNA)
where:
Base-Base interactions energy: -735.366
where: short stacking energy: -301.920
Base-Backbone interact. energy: -1.314
local terms energy: -299.465113
where:
bonds (distance) C4'-P energy: -49.327
bonds (distance) P-C4' energy: -52.024
flat angles C4'-P-C4' energy: -67.032
flat angles P-C4'-P energy: -43.939
tors. eta vs tors. theta energy: -87.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -975.779499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.779499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.779499 (E_RNA)
where:
Base-Base interactions energy: -664.239
where: short stacking energy: -298.135
Base-Backbone interact. energy: -4.571
local terms energy: -306.969018
where:
bonds (distance) C4'-P energy: -55.128
bonds (distance) P-C4' energy: -58.062
flat angles C4'-P-C4' energy: -62.272
flat angles P-C4'-P energy: -41.314
tors. eta vs tors. theta energy: -90.193
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: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -951.322781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.322781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.322781 (E_RNA)
where:
Base-Base interactions energy: -654.798
where: short stacking energy: -261.282
Base-Backbone interact. energy: -1.000
local terms energy: -295.524498
where:
bonds (distance) C4'-P energy: -49.236
bonds (distance) P-C4' energy: -59.221
flat angles C4'-P-C4' energy: -58.133
flat angles P-C4'-P energy: -47.412
tors. eta vs tors. theta energy: -81.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -879.067764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.067764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.067764 (E_RNA)
where:
Base-Base interactions energy: -598.915
where: short stacking energy: -267.148
Base-Backbone interact. energy: -0.270
local terms energy: -279.882482
where:
bonds (distance) C4'-P energy: -52.971
bonds (distance) P-C4' energy: -52.055
flat angles C4'-P-C4' energy: -64.663
flat angles P-C4'-P energy: -29.498
tors. eta vs tors. theta energy: -80.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -803.861654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.861654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.861654 (E_RNA)
where:
Base-Base interactions energy: -527.718
where: short stacking energy: -234.977
Base-Backbone interact. energy: -1.799
local terms energy: -274.344579
where:
bonds (distance) C4'-P energy: -50.981
bonds (distance) P-C4' energy: -59.886
flat angles C4'-P-C4' energy: -58.196
flat angles P-C4'-P energy: -36.398
tors. eta vs tors. theta energy: -68.884
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: 2
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -730.928572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.928572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.928572 (E_RNA)
where:
Base-Base interactions energy: -487.945
where: short stacking energy: -239.291
Base-Backbone interact. energy: -1.234
local terms energy: -241.749446
where:
bonds (distance) C4'-P energy: -40.244
bonds (distance) P-C4' energy: -56.272
flat angles C4'-P-C4' energy: -51.936
flat angles P-C4'-P energy: -23.795
tors. eta vs tors. theta energy: -69.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -664.567712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.567712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.567712 (E_RNA)
where:
Base-Base interactions energy: -451.859
where: short stacking energy: -203.003
Base-Backbone interact. energy: 2.912
local terms energy: -215.620841
where:
bonds (distance) C4'-P energy: -45.773
bonds (distance) P-C4' energy: -46.828
flat angles C4'-P-C4' energy: -49.105
flat angles P-C4'-P energy: -33.423
tors. eta vs tors. theta energy: -40.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -546.455924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.455924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.455924 (E_RNA)
where:
Base-Base interactions energy: -344.446
where: short stacking energy: -155.334
Base-Backbone interact. energy: -0.001
local terms energy: -202.008619
where:
bonds (distance) C4'-P energy: -49.401
bonds (distance) P-C4' energy: -37.067
flat angles C4'-P-C4' energy: -53.770
flat angles P-C4'-P energy: -34.078
tors. eta vs tors. theta energy: -27.693
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: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -455.657500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.657500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.657500 (E_RNA)
where:
Base-Base interactions energy: -281.048
where: short stacking energy: -129.296
Base-Backbone interact. energy: 0.746
local terms energy: -175.355522
where:
bonds (distance) C4'-P energy: -54.146
bonds (distance) P-C4' energy: -40.834
flat angles C4'-P-C4' energy: -38.100
flat angles P-C4'-P energy: -24.632
tors. eta vs tors. theta energy: -17.643
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: 6
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -244.064109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.064109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.064109 (E_RNA)
where:
Base-Base interactions energy: -101.613
where: short stacking energy: -70.717
Base-Backbone interact. energy: -1.088
local terms energy: -141.362999
where:
bonds (distance) C4'-P energy: -46.971
bonds (distance) P-C4' energy: -50.091
flat angles C4'-P-C4' energy: -37.335
flat angles P-C4'-P energy: -13.932
tors. eta vs tors. theta energy: 6.966
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: 4
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1046.409670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.409670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.409670 (E_RNA)
where:
Base-Base interactions energy: -738.600
where: short stacking energy: -313.197
Base-Backbone interact. energy: 0.562
local terms energy: -308.372209
where:
bonds (distance) C4'-P energy: -60.594
bonds (distance) P-C4' energy: -46.155
flat angles C4'-P-C4' energy: -67.644
flat angles P-C4'-P energy: -44.847
tors. eta vs tors. theta energy: -89.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -973.086383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.086383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.086383 (E_RNA)
where:
Base-Base interactions energy: -672.345
where: short stacking energy: -306.969
Base-Backbone interact. energy: -1.198
local terms energy: -299.543520
where:
bonds (distance) C4'-P energy: -55.894
bonds (distance) P-C4' energy: -42.724
flat angles C4'-P-C4' energy: -62.218
flat angles P-C4'-P energy: -45.138
tors. eta vs tors. theta energy: -93.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -955.268221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.268221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.268221 (E_RNA)
where:
Base-Base interactions energy: -656.255
where: short stacking energy: -289.338
Base-Backbone interact. energy: -0.826
local terms energy: -298.187225
where:
bonds (distance) C4'-P energy: -51.126
bonds (distance) P-C4' energy: -63.371
flat angles C4'-P-C4' energy: -60.835
flat angles P-C4'-P energy: -37.494
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: 4, replica: 5
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -848.139832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.139832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.139832 (E_RNA)
where:
Base-Base interactions energy: -565.574
where: short stacking energy: -264.395
Base-Backbone interact. energy: -0.295
local terms energy: -282.271458
where:
bonds (distance) C4'-P energy: -51.999
bonds (distance) P-C4' energy: -52.636
flat angles C4'-P-C4' energy: -56.726
flat angles P-C4'-P energy: -45.986
tors. eta vs tors. theta energy: -74.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -776.551375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.551375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.551375 (E_RNA)
where:
Base-Base interactions energy: -508.780
where: short stacking energy: -220.454
Base-Backbone interact. energy: -0.592
local terms energy: -267.178864
where:
bonds (distance) C4'-P energy: -52.180
bonds (distance) P-C4' energy: -58.030
flat angles C4'-P-C4' energy: -57.072
flat angles P-C4'-P energy: -39.612
tors. eta vs tors. theta energy: -60.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -705.889255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.889255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.889255 (E_RNA)
where:
Base-Base interactions energy: -446.498
where: short stacking energy: -204.900
Base-Backbone interact. energy: -0.669
local terms energy: -258.722045
where:
bonds (distance) C4'-P energy: -49.026
bonds (distance) P-C4' energy: -57.036
flat angles C4'-P-C4' energy: -50.220
flat angles P-C4'-P energy: -38.885
tors. eta vs tors. theta energy: -63.554
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: 10
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -656.215199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.215199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.215199 (E_RNA)
where:
Base-Base interactions energy: -428.594
where: short stacking energy: -178.925
Base-Backbone interact. energy: 0.080
local terms energy: -227.701437
where:
bonds (distance) C4'-P energy: -46.826
bonds (distance) P-C4' energy: -45.858
flat angles C4'-P-C4' energy: -56.930
flat angles P-C4'-P energy: -33.580
tors. eta vs tors. theta energy: -44.508
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: 9
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -572.180924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.180924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.180924 (E_RNA)
where:
Base-Base interactions energy: -349.673
where: short stacking energy: -171.365
Base-Backbone interact. energy: 3.243
local terms energy: -225.751358
where:
bonds (distance) C4'-P energy: -44.220
bonds (distance) P-C4' energy: -52.780
flat angles C4'-P-C4' energy: -54.647
flat angles P-C4'-P energy: -30.323
tors. eta vs tors. theta energy: -43.780
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: 9, replica: 1
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -468.015255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.015255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.015255 (E_RNA)
where:
Base-Base interactions energy: -292.876
where: short stacking energy: -128.481
Base-Backbone interact. energy: -0.680
local terms energy: -174.460106
where:
bonds (distance) C4'-P energy: -39.317
bonds (distance) P-C4' energy: -46.399
flat angles C4'-P-C4' energy: -46.326
flat angles P-C4'-P energy: -24.779
tors. eta vs tors. theta energy: -17.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -260.295167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.295167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.295167 (E_RNA)
where:
Base-Base interactions energy: -97.020
where: short stacking energy: -73.957
Base-Backbone interact. energy: 1.674
local terms energy: -164.949787
where:
bonds (distance) C4'-P energy: -55.078
bonds (distance) P-C4' energy: -47.363
flat angles C4'-P-C4' energy: -41.524
flat angles P-C4'-P energy: -25.977
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: 4
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1025.493829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.493829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.493829 (E_RNA)
where:
Base-Base interactions energy: -700.759
where: short stacking energy: -303.522
Base-Backbone interact. energy: -1.472
local terms energy: -323.262528
where:
bonds (distance) C4'-P energy: -59.429
bonds (distance) P-C4' energy: -65.562
flat angles C4'-P-C4' energy: -63.497
flat angles P-C4'-P energy: -49.845
tors. eta vs tors. theta energy: -84.930
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: 2, replica: 8
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -963.633135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.633135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.633135 (E_RNA)
where:
Base-Base interactions energy: -658.720
where: short stacking energy: -304.462
Base-Backbone interact. energy: -1.070
local terms energy: -303.843333
where:
bonds (distance) C4'-P energy: -53.485
bonds (distance) P-C4' energy: -55.360
flat angles C4'-P-C4' energy: -63.196
flat angles P-C4'-P energy: -45.351
tors. eta vs tors. theta energy: -86.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -965.894592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.894592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.894592 (E_RNA)
where:
Base-Base interactions energy: -665.767
where: short stacking energy: -300.879
Base-Backbone interact. energy: -0.607
local terms energy: -299.520884
where:
bonds (distance) C4'-P energy: -56.212
bonds (distance) P-C4' energy: -57.495
flat angles C4'-P-C4' energy: -66.110
flat angles P-C4'-P energy: -33.706
tors. eta vs tors. theta energy: -85.997
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: 4, replica: 5
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -844.848739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.848739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.848739 (E_RNA)
where:
Base-Base interactions energy: -578.107
where: short stacking energy: -245.755
Base-Backbone interact. energy: 0.317
local terms energy: -267.058398
where:
bonds (distance) C4'-P energy: -52.720
bonds (distance) P-C4' energy: -54.395
flat angles C4'-P-C4' energy: -60.488
flat angles P-C4'-P energy: -35.284
tors. eta vs tors. theta energy: -64.172
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: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -778.549058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.549058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.549058 (E_RNA)
where:
Base-Base interactions energy: -534.991
where: short stacking energy: -235.762
Base-Backbone interact. energy: -1.119
local terms energy: -242.438764
where:
bonds (distance) C4'-P energy: -44.584
bonds (distance) P-C4' energy: -52.449
flat angles C4'-P-C4' energy: -54.849
flat angles P-C4'-P energy: -35.383
tors. eta vs tors. theta energy: -55.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -723.941454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.941454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.941454 (E_RNA)
where:
Base-Base interactions energy: -472.213
where: short stacking energy: -219.002
Base-Backbone interact. energy: 0.770
local terms energy: -252.498740
where:
bonds (distance) C4'-P energy: -49.393
bonds (distance) P-C4' energy: -42.100
flat angles C4'-P-C4' energy: -58.406
flat angles P-C4'-P energy: -34.940
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: 195
Temperature: 1.200000
Total energy: -672.245348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.245348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.245348 (E_RNA)
where:
Base-Base interactions energy: -447.930
where: short stacking energy: -190.963
Base-Backbone interact. energy: 3.204
local terms energy: -227.519291
where:
bonds (distance) C4'-P energy: -54.661
bonds (distance) P-C4' energy: -46.231
flat angles C4'-P-C4' energy: -46.486
flat angles P-C4'-P energy: -21.199
tors. eta vs tors. theta energy: -58.942
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: 9
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -588.952529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.952529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.952529 (E_RNA)
where:
Base-Base interactions energy: -368.870
where: short stacking energy: -173.735
Base-Backbone interact. energy: 0.289
local terms energy: -220.371570
where:
bonds (distance) C4'-P energy: -54.001
bonds (distance) P-C4' energy: -55.097
flat angles C4'-P-C4' energy: -47.864
flat angles P-C4'-P energy: -31.697
tors. eta vs tors. theta energy: -31.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -451.180124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.180124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.180124 (E_RNA)
where:
Base-Base interactions energy: -271.831
where: short stacking energy: -140.041
Base-Backbone interact. energy: 0.072
local terms energy: -179.421767
where:
bonds (distance) C4'-P energy: -55.295
bonds (distance) P-C4' energy: -30.899
flat angles C4'-P-C4' energy: -50.217
flat angles P-C4'-P energy: -27.831
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -233.156599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.156599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.156599 (E_RNA)
where:
Base-Base interactions energy: -78.598
where: short stacking energy: -55.529
Base-Backbone interact. energy: -1.598
local terms energy: -152.960642
where:
bonds (distance) C4'-P energy: -55.582
bonds (distance) P-C4' energy: -44.835
flat angles C4'-P-C4' energy: -33.419
flat angles P-C4'-P energy: -27.677
tors. eta vs tors. theta energy: 8.553
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: 4
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1032.382903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.382903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.382903 (E_RNA)
where:
Base-Base interactions energy: -718.604
where: short stacking energy: -301.756
Base-Backbone interact. energy: -1.032
local terms energy: -312.746253
where:
bonds (distance) C4'-P energy: -52.407
bonds (distance) P-C4' energy: -61.188
flat angles C4'-P-C4' energy: -63.014
flat angles P-C4'-P energy: -47.128
tors. eta vs tors. theta energy: -89.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -966.171424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.171424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.171424 (E_RNA)
where:
Base-Base interactions energy: -658.591
where: short stacking energy: -285.207
Base-Backbone interact. energy: -0.524
local terms energy: -307.056489
where:
bonds (distance) C4'-P energy: -58.620
bonds (distance) P-C4' energy: -53.761
flat angles C4'-P-C4' energy: -61.517
flat angles P-C4'-P energy: -48.364
tors. eta vs tors. theta energy: -84.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -949.120856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.120856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.120856 (E_RNA)
where:
Base-Base interactions energy: -655.327
where: short stacking energy: -297.549
Base-Backbone interact. energy: -1.752
local terms energy: -292.042468
where:
bonds (distance) C4'-P energy: -47.375
bonds (distance) P-C4' energy: -53.560
flat angles C4'-P-C4' energy: -61.950
flat angles P-C4'-P energy: -40.102
tors. eta vs tors. theta energy: -89.056
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: 196
Temperature: 1.050000
Total energy: -879.107270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.107270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.107270 (E_RNA)
where:
Base-Base interactions energy: -603.400
where: short stacking energy: -277.267
Base-Backbone interact. energy: -1.298
local terms energy: -274.409959
where:
bonds (distance) C4'-P energy: -48.683
bonds (distance) P-C4' energy: -50.528
flat angles C4'-P-C4' energy: -56.915
flat angles P-C4'-P energy: -32.521
tors. eta vs tors. theta energy: -85.763
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: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -768.374164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.374164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.374164 (E_RNA)
where:
Base-Base interactions energy: -515.005
where: short stacking energy: -227.977
Base-Backbone interact. energy: -2.032
local terms energy: -251.337610
where:
bonds (distance) C4'-P energy: -47.612
bonds (distance) P-C4' energy: -52.997
flat angles C4'-P-C4' energy: -55.813
flat angles P-C4'-P energy: -36.647
tors. eta vs tors. theta energy: -58.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -730.271645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.271645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.271645 (E_RNA)
where:
Base-Base interactions energy: -478.080
where: short stacking energy: -214.868
Base-Backbone interact. energy: -2.317
local terms energy: -249.874099
where:
bonds (distance) C4'-P energy: -55.118
bonds (distance) P-C4' energy: -50.063
flat angles C4'-P-C4' energy: -55.467
flat angles P-C4'-P energy: -27.644
tors. eta vs tors. theta energy: -61.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -638.273627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.273627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.273627 (E_RNA)
where:
Base-Base interactions energy: -414.140
where: short stacking energy: -195.494
Base-Backbone interact. energy: -0.240
local terms energy: -223.893503
where:
bonds (distance) C4'-P energy: -49.088
bonds (distance) P-C4' energy: -51.379
flat angles C4'-P-C4' energy: -46.615
flat angles P-C4'-P energy: -34.704
tors. eta vs tors. theta energy: -42.108
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: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -576.597571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.597571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.597571 (E_RNA)
where:
Base-Base interactions energy: -354.260
where: short stacking energy: -157.649
Base-Backbone interact. energy: 2.529
local terms energy: -224.867033
where:
bonds (distance) C4'-P energy: -51.577
bonds (distance) P-C4' energy: -50.881
flat angles C4'-P-C4' energy: -45.945
flat angles P-C4'-P energy: -39.889
tors. eta vs tors. theta energy: -36.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -466.383043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.383043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.383043 (E_RNA)
where:
Base-Base interactions energy: -276.649
where: short stacking energy: -135.512
Base-Backbone interact. energy: -1.021
local terms energy: -188.712233
where:
bonds (distance) C4'-P energy: -51.352
bonds (distance) P-C4' energy: -43.550
flat angles C4'-P-C4' energy: -49.356
flat angles P-C4'-P energy: -22.529
tors. eta vs tors. theta energy: -21.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -228.241797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.241797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.241797 (E_RNA)
where:
Base-Base interactions energy: -82.820
where: short stacking energy: -67.294
Base-Backbone interact. energy: -1.831
local terms energy: -143.591139
where:
bonds (distance) C4'-P energy: -45.658
bonds (distance) P-C4' energy: -42.012
flat angles C4'-P-C4' energy: -46.589
flat angles P-C4'-P energy: -26.453
tors. eta vs tors. theta energy: 17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1036.674757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.674757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.674757 (E_RNA)
where:
Base-Base interactions energy: -723.328
where: short stacking energy: -300.917
Base-Backbone interact. energy: -0.738
local terms energy: -312.608247
where:
bonds (distance) C4'-P energy: -54.002
bonds (distance) P-C4' energy: -63.120
flat angles C4'-P-C4' energy: -59.428
flat angles P-C4'-P energy: -42.453
tors. eta vs tors. theta energy: -93.605
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: 2, replica: 8
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -969.484136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.484136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.484136 (E_RNA)
where:
Base-Base interactions energy: -662.117
where: short stacking energy: -294.476
Base-Backbone interact. energy: 1.357
local terms energy: -308.723859
where:
bonds (distance) C4'-P energy: -55.788
bonds (distance) P-C4' energy: -54.510
flat angles C4'-P-C4' energy: -62.758
flat angles P-C4'-P energy: -48.868
tors. eta vs tors. theta energy: -86.800
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: 7
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -933.934924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.934924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.934924 (E_RNA)
where:
Base-Base interactions energy: -646.732
where: short stacking energy: -293.512
Base-Backbone interact. energy: -0.660
local terms energy: -286.543432
where:
bonds (distance) C4'-P energy: -47.797
bonds (distance) P-C4' energy: -52.044
flat angles C4'-P-C4' energy: -58.413
flat angles P-C4'-P energy: -43.495
tors. eta vs tors. theta energy: -84.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -877.711999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.711999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.711999 (E_RNA)
where:
Base-Base interactions energy: -591.422
where: short stacking energy: -255.888
Base-Backbone interact. energy: -1.820
local terms energy: -284.469931
where:
bonds (distance) C4'-P energy: -55.784
bonds (distance) P-C4' energy: -54.042
flat angles C4'-P-C4' energy: -58.115
flat angles P-C4'-P energy: -37.572
tors. eta vs tors. theta energy: -78.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -751.874039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.874039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.874039 (E_RNA)
where:
Base-Base interactions energy: -500.869
where: short stacking energy: -223.914
Base-Backbone interact. energy: -0.371
local terms energy: -250.634062
where:
bonds (distance) C4'-P energy: -43.395
bonds (distance) P-C4' energy: -51.264
flat angles C4'-P-C4' energy: -63.915
flat angles P-C4'-P energy: -35.494
tors. eta vs tors. theta energy: -56.566
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: 2
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -779.162479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.162479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.162479 (E_RNA)
where:
Base-Base interactions energy: -513.328
where: short stacking energy: -238.370
Base-Backbone interact. energy: -1.208
local terms energy: -264.626715
where:
bonds (distance) C4'-P energy: -45.852
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -56.172
flat angles P-C4'-P energy: -45.694
tors. eta vs tors. theta energy: -65.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -649.467631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.467631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.467631 (E_RNA)
where:
Base-Base interactions energy: -415.961
where: short stacking energy: -169.521
Base-Backbone interact. energy: -1.051
local terms energy: -232.455343
where:
bonds (distance) C4'-P energy: -54.145
bonds (distance) P-C4' energy: -47.076
flat angles C4'-P-C4' energy: -48.154
flat angles P-C4'-P energy: -39.705
tors. eta vs tors. theta energy: -43.376
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: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -548.776530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.776530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.776530 (E_RNA)
where:
Base-Base interactions energy: -343.854
where: short stacking energy: -143.678
Base-Backbone interact. energy: -2.214
local terms energy: -202.708203
where:
bonds (distance) C4'-P energy: -46.142
bonds (distance) P-C4' energy: -53.786
flat angles C4'-P-C4' energy: -43.177
flat angles P-C4'-P energy: -32.450
tors. eta vs tors. theta energy: -27.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -477.292889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.292889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.292889 (E_RNA)
where:
Base-Base interactions energy: -269.819
where: short stacking energy: -133.082
Base-Backbone interact. energy: 0.092
local terms energy: -207.565817
where:
bonds (distance) C4'-P energy: -50.836
bonds (distance) P-C4' energy: -47.374
flat angles C4'-P-C4' energy: -48.824
flat angles P-C4'-P energy: -35.366
tors. eta vs tors. theta energy: -25.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -232.647878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.647878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.647878 (E_RNA)
where:
Base-Base interactions energy: -83.495
where: short stacking energy: -69.231
Base-Backbone interact. energy: 3.095
local terms energy: -152.247906
where:
bonds (distance) C4'-P energy: -48.376
bonds (distance) P-C4' energy: -50.342
flat angles C4'-P-C4' energy: -49.525
flat angles P-C4'-P energy: -20.510
tors. eta vs tors. theta energy: 16.506
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: 1, replica: 4
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1025.531697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.531697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.531697 (E_RNA)
where:
Base-Base interactions energy: -713.714
where: short stacking energy: -305.719
Base-Backbone interact. energy: 1.011
local terms energy: -312.828998
where:
bonds (distance) C4'-P energy: -59.205
bonds (distance) P-C4' energy: -57.322
flat angles C4'-P-C4' energy: -60.767
flat angles P-C4'-P energy: -44.622
tors. eta vs tors. theta energy: -90.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -979.212363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.212363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.212363 (E_RNA)
where:
Base-Base interactions energy: -672.965
where: short stacking energy: -296.371
Base-Backbone interact. energy: -1.112
local terms energy: -305.134775
where:
bonds (distance) C4'-P energy: -54.911
bonds (distance) P-C4' energy: -64.000
flat angles C4'-P-C4' energy: -57.285
flat angles P-C4'-P energy: -39.955
tors. eta vs tors. theta energy: -88.984
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: 3, replica: 7
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -910.069678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.069678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.069678 (E_RNA)
where:
Base-Base interactions energy: -631.388
where: short stacking energy: -276.270
Base-Backbone interact. energy: 1.611
local terms energy: -280.292736
where:
bonds (distance) C4'-P energy: -54.276
bonds (distance) P-C4' energy: -52.672
flat angles C4'-P-C4' energy: -60.348
flat angles P-C4'-P energy: -33.238
tors. eta vs tors. theta energy: -79.758
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: 5
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -871.632645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.632645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.632645 (E_RNA)
where:
Base-Base interactions energy: -591.106
where: short stacking energy: -261.738
Base-Backbone interact. energy: -1.097
local terms energy: -279.429898
where:
bonds (distance) C4'-P energy: -49.490
bonds (distance) P-C4' energy: -54.313
flat angles C4'-P-C4' energy: -58.478
flat angles P-C4'-P energy: -38.306
tors. eta vs tors. theta energy: -78.843
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: 2
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -789.256505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.256505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.256505 (E_RNA)
where:
Base-Base interactions energy: -523.403
where: short stacking energy: -250.485
Base-Backbone interact. energy: -0.244
local terms energy: -265.610233
where:
bonds (distance) C4'-P energy: -47.430
bonds (distance) P-C4' energy: -54.971
flat angles C4'-P-C4' energy: -51.834
flat angles P-C4'-P energy: -38.631
tors. eta vs tors. theta energy: -72.744
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: 198
Temperature: 1.150000
Total energy: -761.435528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.435528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.435528 (E_RNA)
where:
Base-Base interactions energy: -517.900
where: short stacking energy: -234.720
Base-Backbone interact. energy: 1.391
local terms energy: -244.926591
where:
bonds (distance) C4'-P energy: -50.051
bonds (distance) P-C4' energy: -55.992
flat angles C4'-P-C4' energy: -49.803
flat angles P-C4'-P energy: -29.313
tors. eta vs tors. theta energy: -59.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -652.235063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.235063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.235063 (E_RNA)
where:
Base-Base interactions energy: -427.243
where: short stacking energy: -200.213
Base-Backbone interact. energy: -0.676
local terms energy: -224.315906
where:
bonds (distance) C4'-P energy: -48.113
bonds (distance) P-C4' energy: -40.915
flat angles C4'-P-C4' energy: -52.803
flat angles P-C4'-P energy: -31.585
tors. eta vs tors. theta energy: -50.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -571.894860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.894860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.894860 (E_RNA)
where:
Base-Base interactions energy: -340.849
where: short stacking energy: -171.415
Base-Backbone interact. energy: -0.052
local terms energy: -230.993833
where:
bonds (distance) C4'-P energy: -46.540
bonds (distance) P-C4' energy: -50.959
flat angles C4'-P-C4' energy: -56.562
flat angles P-C4'-P energy: -36.132
tors. eta vs tors. theta energy: -40.801
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: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -445.559962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.559962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.559962 (E_RNA)
where:
Base-Base interactions energy: -262.306
where: short stacking energy: -136.130
Base-Backbone interact. energy: 2.542
local terms energy: -185.796042
where:
bonds (distance) C4'-P energy: -37.456
bonds (distance) P-C4' energy: -46.586
flat angles C4'-P-C4' energy: -45.876
flat angles P-C4'-P energy: -28.275
tors. eta vs tors. theta energy: -27.603
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: 6
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -303.686548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.686548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.686548 (E_RNA)
where:
Base-Base interactions energy: -146.523
where: short stacking energy: -73.840
Base-Backbone interact. energy: -0.497
local terms energy: -156.666215
where:
bonds (distance) C4'-P energy: -31.732
bonds (distance) P-C4' energy: -47.300
flat angles C4'-P-C4' energy: -49.863
flat angles P-C4'-P energy: -30.277
tors. eta vs tors. theta energy: 2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -1025.831678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.831678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.831678 (E_RNA)
where:
Base-Base interactions energy: -719.252
where: short stacking energy: -301.100
Base-Backbone interact. energy: 0.073
local terms energy: -306.652293
where:
bonds (distance) C4'-P energy: -58.178
bonds (distance) P-C4' energy: -57.791
flat angles C4'-P-C4' energy: -57.726
flat angles P-C4'-P energy: -41.120
tors. eta vs tors. theta energy: -91.837
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: 2, replica: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -959.222203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.222203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.222203 (E_RNA)
where:
Base-Base interactions energy: -657.216
where: short stacking energy: -276.280
Base-Backbone interact. energy: -0.108
local terms energy: -301.898914
where:
bonds (distance) C4'-P energy: -54.678
bonds (distance) P-C4' energy: -59.625
flat angles C4'-P-C4' energy: -57.619
flat angles P-C4'-P energy: -39.499
tors. eta vs tors. theta energy: -90.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -939.060989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.060989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.060989 (E_RNA)
where:
Base-Base interactions energy: -647.194
where: short stacking energy: -281.074
Base-Backbone interact. energy: -0.347
local terms energy: -291.520192
where:
bonds (distance) C4'-P energy: -59.638
bonds (distance) P-C4' energy: -54.895
flat angles C4'-P-C4' energy: -55.036
flat angles P-C4'-P energy: -41.150
tors. eta vs tors. theta energy: -80.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -849.970761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.970761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.970761 (E_RNA)
where:
Base-Base interactions energy: -577.572
where: short stacking energy: -245.417
Base-Backbone interact. energy: 0.708
local terms energy: -273.106184
where:
bonds (distance) C4'-P energy: -44.261
bonds (distance) P-C4' energy: -64.664
flat angles C4'-P-C4' energy: -58.773
flat angles P-C4'-P energy: -37.577
tors. eta vs tors. theta energy: -67.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -758.176524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.176524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.176524 (E_RNA)
where:
Base-Base interactions energy: -477.273
where: short stacking energy: -238.315
Base-Backbone interact. energy: -0.891
local terms energy: -280.012727
where:
bonds (distance) C4'-P energy: -61.170
bonds (distance) P-C4' energy: -57.429
flat angles C4'-P-C4' energy: -59.801
flat angles P-C4'-P energy: -33.259
tors. eta vs tors. theta energy: -68.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -754.185257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.185257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.185257 (E_RNA)
where:
Base-Base interactions energy: -505.450
where: short stacking energy: -211.390
Base-Backbone interact. energy: 0.880
local terms energy: -249.614899
where:
bonds (distance) C4'-P energy: -51.435
bonds (distance) P-C4' energy: -49.692
flat angles C4'-P-C4' energy: -55.667
flat angles P-C4'-P energy: -34.417
tors. eta vs tors. theta energy: -58.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -638.772078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -638.772078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -638.772078 (E_RNA)
where:
Base-Base interactions energy: -408.580
where: short stacking energy: -176.570
Base-Backbone interact. energy: 0.171
local terms energy: -230.363162
where:
bonds (distance) C4'-P energy: -36.465
bonds (distance) P-C4' energy: -57.865
flat angles C4'-P-C4' energy: -50.876
flat angles P-C4'-P energy: -38.647
tors. eta vs tors. theta energy: -46.511
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: 9
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -633.793840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.793840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.793840 (E_RNA)
where:
Base-Base interactions energy: -406.470
where: short stacking energy: -177.150
Base-Backbone interact. energy: -0.732
local terms energy: -226.591071
where:
bonds (distance) C4'-P energy: -47.725
bonds (distance) P-C4' energy: -45.482
flat angles C4'-P-C4' energy: -50.778
flat angles P-C4'-P energy: -37.282
tors. eta vs tors. theta energy: -45.325
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: 199
Temperature: 1.300000
Total energy: -446.854207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.854207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.854207 (E_RNA)
where:
Base-Base interactions energy: -264.795
where: short stacking energy: -122.036
Base-Backbone interact. energy: -0.700
local terms energy: -181.359270
where:
bonds (distance) C4'-P energy: -48.037
bonds (distance) P-C4' energy: -35.970
flat angles C4'-P-C4' energy: -47.062
flat angles P-C4'-P energy: -24.380
tors. eta vs tors. theta energy: -25.911
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: 6
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -296.539188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.539188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.539188 (E_RNA)
where:
Base-Base interactions energy: -148.295
where: short stacking energy: -100.694
Base-Backbone interact. energy: -0.851
local terms energy: -147.392956
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -41.326
flat angles C4'-P-C4' energy: -34.873
flat angles P-C4'-P energy: -20.182
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1038.197651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.197651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.197651 (E_RNA)
where:
Base-Base interactions energy: -723.257
where: short stacking energy: -309.160
Base-Backbone interact. energy: -2.145
local terms energy: -312.795563
where:
bonds (distance) C4'-P energy: -53.209
bonds (distance) P-C4' energy: -49.551
flat angles C4'-P-C4' energy: -62.539
flat angles P-C4'-P energy: -50.725
tors. eta vs tors. theta energy: -96.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -961.989336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.989336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.989336 (E_RNA)
where:
Base-Base interactions energy: -670.169
where: short stacking energy: -290.202
Base-Backbone interact. energy: 1.031
local terms energy: -292.851072
where:
bonds (distance) C4'-P energy: -56.037
bonds (distance) P-C4' energy: -48.664
flat angles C4'-P-C4' energy: -63.086
flat angles P-C4'-P energy: -46.049
tors. eta vs tors. theta energy: -79.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -930.665150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.665150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.665150 (E_RNA)
where:
Base-Base interactions energy: -641.781
where: short stacking energy: -270.229
Base-Backbone interact. energy: 1.401
local terms energy: -290.285050
where:
bonds (distance) C4'-P energy: -46.997
bonds (distance) P-C4' energy: -60.057
flat angles C4'-P-C4' energy: -55.869
flat angles P-C4'-P energy: -52.194
tors. eta vs tors. theta energy: -75.168
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: 5
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -843.915542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.915542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.915542 (E_RNA)
where:
Base-Base interactions energy: -579.419
where: short stacking energy: -255.121
Base-Backbone interact. energy: -0.018
local terms energy: -264.477638
where:
bonds (distance) C4'-P energy: -54.413
bonds (distance) P-C4' energy: -50.717
flat angles C4'-P-C4' energy: -55.355
flat angles P-C4'-P energy: -30.395
tors. eta vs tors. theta energy: -73.598
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: 5, replica: 2
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -791.896712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.896712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.896712 (E_RNA)
where:
Base-Base interactions energy: -514.184
where: short stacking energy: -247.112
Base-Backbone interact. energy: -0.998
local terms energy: -276.714255
where:
bonds (distance) C4'-P energy: -60.371
bonds (distance) P-C4' energy: -55.350
flat angles C4'-P-C4' energy: -58.373
flat angles P-C4'-P energy: -30.919
tors. eta vs tors. theta energy: -71.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -741.499125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.499125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.499125 (E_RNA)
where:
Base-Base interactions energy: -498.153
where: short stacking energy: -221.229
Base-Backbone interact. energy: -0.665
local terms energy: -242.680881
where:
bonds (distance) C4'-P energy: -42.183
bonds (distance) P-C4' energy: -56.820
flat angles C4'-P-C4' energy: -60.894
flat angles P-C4'-P energy: -28.113
tors. eta vs tors. theta energy: -54.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -607.510228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.510228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.510228 (E_RNA)
where:
Base-Base interactions energy: -378.384
where: short stacking energy: -169.346
Base-Backbone interact. energy: -0.422
local terms energy: -228.703834
where:
bonds (distance) C4'-P energy: -51.511
bonds (distance) P-C4' energy: -57.430
flat angles C4'-P-C4' energy: -51.806
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -37.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -612.502476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.502476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.502476 (E_RNA)
where:
Base-Base interactions energy: -397.592
where: short stacking energy: -163.860
Base-Backbone interact. energy: -1.100
local terms energy: -213.810166
where:
bonds (distance) C4'-P energy: -55.856
bonds (distance) P-C4' energy: -36.582
flat angles C4'-P-C4' energy: -52.900
flat angles P-C4'-P energy: -35.086
tors. eta vs tors. theta energy: -33.387
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: 1
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -524.077872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.077872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.077872 (E_RNA)
where:
Base-Base interactions energy: -342.601
where: short stacking energy: -167.278
Base-Backbone interact. energy: -0.668
local terms energy: -180.809625
where:
bonds (distance) C4'-P energy: -31.190
bonds (distance) P-C4' energy: -45.274
flat angles C4'-P-C4' energy: -48.880
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -37.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -235.487102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.487102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.487102 (E_RNA)
where:
Base-Base interactions energy: -88.107
where: short stacking energy: -72.310
Base-Backbone interact. energy: -1.341
local terms energy: -146.038573
where:
bonds (distance) C4'-P energy: -33.376
bonds (distance) P-C4' energy: -41.922
flat angles C4'-P-C4' energy: -46.083
flat angles P-C4'-P energy: -31.700
tors. eta vs tors. theta energy: 7.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1029.569872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.569872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.569872 (E_RNA)
where:
Base-Base interactions energy: -708.545
where: short stacking energy: -293.808
Base-Backbone interact. energy: -1.094
local terms energy: -319.930808
where:
bonds (distance) C4'-P energy: -59.624
bonds (distance) P-C4' energy: -58.854
flat angles C4'-P-C4' energy: -62.347
flat angles P-C4'-P energy: -47.043
tors. eta vs tors. theta energy: -92.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -959.695829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.695829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.695829 (E_RNA)
where:
Base-Base interactions energy: -674.269
where: short stacking energy: -270.628
Base-Backbone interact. energy: -1.211
local terms energy: -284.216416
where:
bonds (distance) C4'-P energy: -46.711
bonds (distance) P-C4' energy: -56.184
flat angles C4'-P-C4' energy: -55.631
flat angles P-C4'-P energy: -48.428
tors. eta vs tors. theta energy: -77.261
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: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -951.736714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.736714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.736714 (E_RNA)
where:
Base-Base interactions energy: -643.307
where: short stacking energy: -284.432
Base-Backbone interact. energy: -0.401
local terms energy: -308.029284
where:
bonds (distance) C4'-P energy: -53.410
bonds (distance) P-C4' energy: -59.498
flat angles C4'-P-C4' energy: -61.975
flat angles P-C4'-P energy: -43.230
tors. eta vs tors. theta energy: -89.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -834.206747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.206747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.206747 (E_RNA)
where:
Base-Base interactions energy: -575.592
where: short stacking energy: -253.963
Base-Backbone interact. energy: -0.988
local terms energy: -257.627290
where:
bonds (distance) C4'-P energy: -51.697
bonds (distance) P-C4' energy: -46.969
flat angles C4'-P-C4' energy: -56.525
flat angles P-C4'-P energy: -33.314
tors. eta vs tors. theta energy: -69.123
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: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -796.932956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.932956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.932956 (E_RNA)
where:
Base-Base interactions energy: -523.199
where: short stacking energy: -241.784
Base-Backbone interact. energy: -1.037
local terms energy: -272.696971
where:
bonds (distance) C4'-P energy: -48.256
bonds (distance) P-C4' energy: -54.166
flat angles C4'-P-C4' energy: -58.573
flat angles P-C4'-P energy: -38.651
tors. eta vs tors. theta energy: -73.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -740.501702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.501702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.501702 (E_RNA)
where:
Base-Base interactions energy: -504.742
where: short stacking energy: -213.370
Base-Backbone interact. energy: -0.931
local terms energy: -234.828749
where:
bonds (distance) C4'-P energy: -39.371
bonds (distance) P-C4' energy: -50.690
flat angles C4'-P-C4' energy: -61.011
flat angles P-C4'-P energy: -34.226
tors. eta vs tors. theta energy: -49.531
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: 10
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -628.257272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.257272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.257272 (E_RNA)
where:
Base-Base interactions energy: -391.718
where: short stacking energy: -186.662
Base-Backbone interact. energy: -0.706
local terms energy: -235.833853
where:
bonds (distance) C4'-P energy: -42.017
bonds (distance) P-C4' energy: -55.799
flat angles C4'-P-C4' energy: -59.650
flat angles P-C4'-P energy: -32.825
tors. eta vs tors. theta energy: -45.543
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: 9
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -587.930269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.930269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.930269 (E_RNA)
where:
Base-Base interactions energy: -383.602
where: short stacking energy: -177.909
Base-Backbone interact. energy: -0.340
local terms energy: -203.987715
where:
bonds (distance) C4'-P energy: -53.614
bonds (distance) P-C4' energy: -48.918
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -32.318
tors. eta vs tors. theta energy: -37.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -515.120087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.120087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.120087 (E_RNA)
where:
Base-Base interactions energy: -331.592
where: short stacking energy: -153.428
Base-Backbone interact. energy: -0.601
local terms energy: -182.926781
where:
bonds (distance) C4'-P energy: -40.529
bonds (distance) P-C4' energy: -50.080
flat angles C4'-P-C4' energy: -50.470
flat angles P-C4'-P energy: -24.818
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -253.328998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.328998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.328998 (E_RNA)
where:
Base-Base interactions energy: -96.149
where: short stacking energy: -93.487
Base-Backbone interact. energy: 0.098
local terms energy: -157.277250
where:
bonds (distance) C4'-P energy: -51.852
bonds (distance) P-C4' energy: -38.150
flat angles C4'-P-C4' energy: -43.980
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -8.796
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: 4
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1044.404859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.404859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.404859 (E_RNA)
where:
Base-Base interactions energy: -713.495
where: short stacking energy: -297.496
Base-Backbone interact. energy: -2.751
local terms energy: -328.158500
where:
bonds (distance) C4'-P energy: -55.544
bonds (distance) P-C4' energy: -60.125
flat angles C4'-P-C4' energy: -67.357
flat angles P-C4'-P energy: -48.727
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: 2, replica: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -991.824020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.824020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.824020 (E_RNA)
where:
Base-Base interactions energy: -690.106
where: short stacking energy: -285.958
Base-Backbone interact. energy: -0.875
local terms energy: -300.843480
where:
bonds (distance) C4'-P energy: -49.052
bonds (distance) P-C4' energy: -63.307
flat angles C4'-P-C4' energy: -63.571
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: -81.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -936.137746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.137746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.137746 (E_RNA)
where:
Base-Base interactions energy: -640.423
where: short stacking energy: -273.157
Base-Backbone interact. energy: -1.359
local terms energy: -294.355949
where:
bonds (distance) C4'-P energy: -44.517
bonds (distance) P-C4' energy: -64.718
flat angles C4'-P-C4' energy: -61.382
flat angles P-C4'-P energy: -46.472
tors. eta vs tors. theta energy: -77.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -834.559499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.559499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.559499 (E_RNA)
where:
Base-Base interactions energy: -564.273
where: short stacking energy: -243.611
Base-Backbone interact. energy: -0.649
local terms energy: -269.636987
where:
bonds (distance) C4'-P energy: -58.302
bonds (distance) P-C4' energy: -62.147
flat angles C4'-P-C4' energy: -59.004
flat angles P-C4'-P energy: -23.684
tors. eta vs tors. theta energy: -66.499
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: 5, replica: 2
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -750.695697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.695697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.695697 (E_RNA)
where:
Base-Base interactions energy: -478.476
where: short stacking energy: -224.817
Base-Backbone interact. energy: -1.473
local terms energy: -270.746722
where:
bonds (distance) C4'-P energy: -46.016
bonds (distance) P-C4' energy: -58.069
flat angles C4'-P-C4' energy: -61.680
flat angles P-C4'-P energy: -40.422
tors. eta vs tors. theta energy: -64.559
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: 202
Temperature: 1.150000
Total energy: -772.951476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.951476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.951476 (E_RNA)
where:
Base-Base interactions energy: -505.010
where: short stacking energy: -233.026
Base-Backbone interact. energy: -0.913
local terms energy: -267.028229
where:
bonds (distance) C4'-P energy: -51.275
bonds (distance) P-C4' energy: -54.057
flat angles C4'-P-C4' energy: -59.136
flat angles P-C4'-P energy: -31.608
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: 7, replica: 10
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -634.832302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -634.832302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -634.832302 (E_RNA)
where:
Base-Base interactions energy: -408.736
where: short stacking energy: -181.951
Base-Backbone interact. energy: -0.414
local terms energy: -225.682287
where:
bonds (distance) C4'-P energy: -44.142
bonds (distance) P-C4' energy: -57.929
flat angles C4'-P-C4' energy: -51.509
flat angles P-C4'-P energy: -35.397
tors. eta vs tors. theta energy: -36.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -554.156600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.156600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.156600 (E_RNA)
where:
Base-Base interactions energy: -337.817
where: short stacking energy: -142.626
Base-Backbone interact. energy: -1.218
local terms energy: -215.121113
where:
bonds (distance) C4'-P energy: -53.254
bonds (distance) P-C4' energy: -49.344
flat angles C4'-P-C4' energy: -57.787
flat angles P-C4'-P energy: -28.712
tors. eta vs tors. theta energy: -26.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -458.010949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.010949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.010949 (E_RNA)
where:
Base-Base interactions energy: -261.717
where: short stacking energy: -125.303
Base-Backbone interact. energy: -0.385
local terms energy: -195.909134
where:
bonds (distance) C4'-P energy: -44.745
bonds (distance) P-C4' energy: -50.402
flat angles C4'-P-C4' energy: -48.200
flat angles P-C4'-P energy: -30.749
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: 10, replica: 6
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -255.846409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.846409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.846409 (E_RNA)
where:
Base-Base interactions energy: -98.691
where: short stacking energy: -79.310
Base-Backbone interact. energy: 1.104
local terms energy: -158.259695
where:
bonds (distance) C4'-P energy: -46.746
bonds (distance) P-C4' energy: -56.239
flat angles C4'-P-C4' energy: -43.247
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: 3.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1035.698542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.698542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.698542 (E_RNA)
where:
Base-Base interactions energy: -723.825
where: short stacking energy: -291.917
Base-Backbone interact. energy: -0.631
local terms energy: -311.243054
where:
bonds (distance) C4'-P energy: -65.843
bonds (distance) P-C4' energy: -51.135
flat angles C4'-P-C4' energy: -64.315
flat angles P-C4'-P energy: -44.857
tors. eta vs tors. theta energy: -85.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -955.291103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.291103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.291103 (E_RNA)
where:
Base-Base interactions energy: -654.249
where: short stacking energy: -287.716
Base-Backbone interact. energy: -0.186
local terms energy: -300.855952
where:
bonds (distance) C4'-P energy: -46.209
bonds (distance) P-C4' energy: -57.067
flat angles C4'-P-C4' energy: -58.708
flat angles P-C4'-P energy: -48.528
tors. eta vs tors. theta energy: -90.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -941.469613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.469613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.469613 (E_RNA)
where:
Base-Base interactions energy: -644.989
where: short stacking energy: -295.131
Base-Backbone interact. energy: 1.403
local terms energy: -297.883954
where:
bonds (distance) C4'-P energy: -47.838
bonds (distance) P-C4' energy: -46.121
flat angles C4'-P-C4' energy: -65.977
flat angles P-C4'-P energy: -45.686
tors. eta vs tors. theta energy: -92.261
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: 203
Temperature: 1.050000
Total energy: -800.661271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.661271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.661271 (E_RNA)
where:
Base-Base interactions energy: -527.321
where: short stacking energy: -245.329
Base-Backbone interact. energy: -1.172
local terms energy: -272.167752
where:
bonds (distance) C4'-P energy: -51.725
bonds (distance) P-C4' energy: -51.802
flat angles C4'-P-C4' energy: -60.795
flat angles P-C4'-P energy: -40.916
tors. eta vs tors. theta energy: -66.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -761.511857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.511857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.511857 (E_RNA)
where:
Base-Base interactions energy: -501.716
where: short stacking energy: -238.123
Base-Backbone interact. energy: -0.419
local terms energy: -259.377531
where:
bonds (distance) C4'-P energy: -42.685
bonds (distance) P-C4' energy: -61.972
flat angles C4'-P-C4' energy: -51.112
flat angles P-C4'-P energy: -29.754
tors. eta vs tors. theta energy: -73.854
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: 10
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -684.512290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.512290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.512290 (E_RNA)
where:
Base-Base interactions energy: -443.795
where: short stacking energy: -209.225
Base-Backbone interact. energy: -0.323
local terms energy: -240.393798
where:
bonds (distance) C4'-P energy: -52.492
bonds (distance) P-C4' energy: -49.163
flat angles C4'-P-C4' energy: -52.443
flat angles P-C4'-P energy: -36.381
tors. eta vs tors. theta energy: -49.915
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: 3
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -723.518170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.518170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.518170 (E_RNA)
where:
Base-Base interactions energy: -466.478
where: short stacking energy: -199.496
Base-Backbone interact. energy: -0.316
local terms energy: -256.723761
where:
bonds (distance) C4'-P energy: -59.697
bonds (distance) P-C4' energy: -49.298
flat angles C4'-P-C4' energy: -62.205
flat angles P-C4'-P energy: -31.451
tors. eta vs tors. theta energy: -54.073
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: 8, replica: 1
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -536.742676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -536.742676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -536.742676 (E_RNA)
where:
Base-Base interactions energy: -338.694
where: short stacking energy: -171.330
Base-Backbone interact. energy: -0.939
local terms energy: -197.109682
where:
bonds (distance) C4'-P energy: -44.653
bonds (distance) P-C4' energy: -51.889
flat angles C4'-P-C4' energy: -47.235
flat angles P-C4'-P energy: -22.217
tors. eta vs tors. theta energy: -31.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -525.276213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.276213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.276213 (E_RNA)
where:
Base-Base interactions energy: -324.149
where: short stacking energy: -144.642
Base-Backbone interact. energy: -1.082
local terms energy: -200.044937
where:
bonds (distance) C4'-P energy: -35.566
bonds (distance) P-C4' energy: -56.211
flat angles C4'-P-C4' energy: -48.377
flat angles P-C4'-P energy: -32.981
tors. eta vs tors. theta energy: -26.909
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: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -235.403606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.403606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.403606 (E_RNA)
where:
Base-Base interactions energy: -85.903
where: short stacking energy: -71.051
Base-Backbone interact. energy: 0.014
local terms energy: -149.514900
where:
bonds (distance) C4'-P energy: -45.947
bonds (distance) P-C4' energy: -53.849
flat angles C4'-P-C4' energy: -42.311
flat angles P-C4'-P energy: -17.332
tors. eta vs tors. theta energy: 9.924
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: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1034.737527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.737527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.737527 (E_RNA)
where:
Base-Base interactions energy: -703.308
where: short stacking energy: -297.291
Base-Backbone interact. energy: -3.137
local terms energy: -328.292699
where:
bonds (distance) C4'-P energy: -59.487
bonds (distance) P-C4' energy: -61.886
flat angles C4'-P-C4' energy: -66.009
flat angles P-C4'-P energy: -45.683
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: 2, replica: 7
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -963.753410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.753410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.753410 (E_RNA)
where:
Base-Base interactions energy: -661.439
where: short stacking energy: -293.868
Base-Backbone interact. energy: -0.843
local terms energy: -301.471754
where:
bonds (distance) C4'-P energy: -58.061
bonds (distance) P-C4' energy: -51.421
flat angles C4'-P-C4' energy: -63.359
flat angles P-C4'-P energy: -37.928
tors. eta vs tors. theta energy: -90.702
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: 204
Temperature: 1.000000
Total energy: -931.487084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.487084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.487084 (E_RNA)
where:
Base-Base interactions energy: -643.260
where: short stacking energy: -290.226
Base-Backbone interact. energy: -1.590
local terms energy: -286.637159
where:
bonds (distance) C4'-P energy: -51.466
bonds (distance) P-C4' energy: -49.293
flat angles C4'-P-C4' energy: -59.488
flat angles P-C4'-P energy: -40.222
tors. eta vs tors. theta energy: -86.169
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: 4, replica: 5
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -788.161545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.161545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.161545 (E_RNA)
where:
Base-Base interactions energy: -534.959
where: short stacking energy: -226.057
Base-Backbone interact. energy: 0.070
local terms energy: -253.272125
where:
bonds (distance) C4'-P energy: -45.849
bonds (distance) P-C4' energy: -52.462
flat angles C4'-P-C4' energy: -54.612
flat angles P-C4'-P energy: -41.805
tors. eta vs tors. theta energy: -58.544
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: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -738.977127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.977127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.977127 (E_RNA)
where:
Base-Base interactions energy: -481.027
where: short stacking energy: -226.416
Base-Backbone interact. energy: 0.228
local terms energy: -258.177590
where:
bonds (distance) C4'-P energy: -50.749
bonds (distance) P-C4' energy: -47.378
flat angles C4'-P-C4' energy: -55.500
flat angles P-C4'-P energy: -39.875
tors. eta vs tors. theta energy: -64.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -742.120596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.120596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.120596 (E_RNA)
where:
Base-Base interactions energy: -487.881
where: short stacking energy: -215.686
Base-Backbone interact. energy: 1.500
local terms energy: -255.739922
where:
bonds (distance) C4'-P energy: -58.182
bonds (distance) P-C4' energy: -54.393
flat angles C4'-P-C4' energy: -51.788
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -52.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -680.116421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.116421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.116421 (E_RNA)
where:
Base-Base interactions energy: -446.399
where: short stacking energy: -195.980
Base-Backbone interact. energy: -0.121
local terms energy: -233.597243
where:
bonds (distance) C4'-P energy: -42.273
bonds (distance) P-C4' energy: -51.702
flat angles C4'-P-C4' energy: -53.368
flat angles P-C4'-P energy: -39.494
tors. eta vs tors. theta energy: -46.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -525.820859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.820859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.820859 (E_RNA)
where:
Base-Base interactions energy: -302.482
where: short stacking energy: -146.933
Base-Backbone interact. energy: -0.873
local terms energy: -222.465945
where:
bonds (distance) C4'-P energy: -57.901
bonds (distance) P-C4' energy: -59.090
flat angles C4'-P-C4' energy: -47.448
flat angles P-C4'-P energy: -27.525
tors. eta vs tors. theta energy: -30.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -488.762290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.762290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.762290 (E_RNA)
where:
Base-Base interactions energy: -274.050
where: short stacking energy: -140.882
Base-Backbone interact. energy: -0.155
local terms energy: -214.556828
where:
bonds (distance) C4'-P energy: -38.559
bonds (distance) P-C4' energy: -53.553
flat angles C4'-P-C4' energy: -63.505
flat angles P-C4'-P energy: -27.149
tors. eta vs tors. theta energy: -31.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -261.328108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.328108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.328108 (E_RNA)
where:
Base-Base interactions energy: -91.795
where: short stacking energy: -74.400
Base-Backbone interact. energy: 0.914
local terms energy: -170.446971
where:
bonds (distance) C4'-P energy: -43.396
bonds (distance) P-C4' energy: -50.291
flat angles C4'-P-C4' energy: -50.551
flat angles P-C4'-P energy: -18.881
tors. eta vs tors. theta energy: -7.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1026.943599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.943599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.943599 (E_RNA)
where:
Base-Base interactions energy: -705.085
where: short stacking energy: -292.428
Base-Backbone interact. energy: -1.905
local terms energy: -319.953141
where:
bonds (distance) C4'-P energy: -57.018
bonds (distance) P-C4' energy: -61.859
flat angles C4'-P-C4' energy: -66.862
flat angles P-C4'-P energy: -38.711
tors. eta vs tors. theta energy: -95.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -971.967429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.967429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.967429 (E_RNA)
where:
Base-Base interactions energy: -677.127
where: short stacking energy: -291.822
Base-Backbone interact. energy: -2.057
local terms energy: -292.783421
where:
bonds (distance) C4'-P energy: -45.706
bonds (distance) P-C4' energy: -51.702
flat angles C4'-P-C4' energy: -68.721
flat angles P-C4'-P energy: -45.334
tors. eta vs tors. theta energy: -81.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -911.236283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.236283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.236283 (E_RNA)
where:
Base-Base interactions energy: -622.359
where: short stacking energy: -271.581
Base-Backbone interact. energy: -0.441
local terms energy: -288.436232
where:
bonds (distance) C4'-P energy: -51.927
bonds (distance) P-C4' energy: -56.567
flat angles C4'-P-C4' energy: -56.262
flat angles P-C4'-P energy: -46.600
tors. eta vs tors. theta energy: -77.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -796.014292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.014292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.014292 (E_RNA)
where:
Base-Base interactions energy: -520.909
where: short stacking energy: -251.700
Base-Backbone interact. energy: 0.651
local terms energy: -275.756160
where:
bonds (distance) C4'-P energy: -53.390
bonds (distance) P-C4' energy: -50.136
flat angles C4'-P-C4' energy: -60.764
flat angles P-C4'-P energy: -42.510
tors. eta vs tors. theta energy: -68.956
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: 5, replica: 5
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -791.359835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.359835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.359835 (E_RNA)
where:
Base-Base interactions energy: -536.464
where: short stacking energy: -235.155
Base-Backbone interact. energy: -0.130
local terms energy: -254.766322
where:
bonds (distance) C4'-P energy: -47.680
bonds (distance) P-C4' energy: -48.936
flat angles C4'-P-C4' energy: -51.366
flat angles P-C4'-P energy: -46.971
tors. eta vs tors. theta energy: -59.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -741.371791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.371791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.371791 (E_RNA)
where:
Base-Base interactions energy: -521.620
where: short stacking energy: -216.677
Base-Backbone interact. energy: -0.407
local terms energy: -219.344147
where:
bonds (distance) C4'-P energy: -38.374
bonds (distance) P-C4' energy: -48.723
flat angles C4'-P-C4' energy: -41.711
flat angles P-C4'-P energy: -37.158
tors. eta vs tors. theta energy: -53.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -685.748290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.748290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.748290 (E_RNA)
where:
Base-Base interactions energy: -454.440
where: short stacking energy: -206.343
Base-Backbone interact. energy: 2.601
local terms energy: -233.909812
where:
bonds (distance) C4'-P energy: -48.932
bonds (distance) P-C4' energy: -49.786
flat angles C4'-P-C4' energy: -48.893
flat angles P-C4'-P energy: -39.110
tors. eta vs tors. theta energy: -47.189
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: 9
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -459.851008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.851008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.851008 (E_RNA)
where:
Base-Base interactions energy: -283.794
where: short stacking energy: -152.533
Base-Backbone interact. energy: -1.271
local terms energy: -174.785940
where:
bonds (distance) C4'-P energy: -36.026
bonds (distance) P-C4' energy: -38.496
flat angles C4'-P-C4' energy: -39.007
flat angles P-C4'-P energy: -37.958
tors. eta vs tors. theta energy: -23.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -489.121338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.121338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.121338 (E_RNA)
where:
Base-Base interactions energy: -302.422
where: short stacking energy: -139.486
Base-Backbone interact. energy: -0.188
local terms energy: -186.510686
where:
bonds (distance) C4'-P energy: -47.322
bonds (distance) P-C4' energy: -40.975
flat angles C4'-P-C4' energy: -48.336
flat angles P-C4'-P energy: -26.042
tors. eta vs tors. theta energy: -23.836
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: 10, replica: 6
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -250.081690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.081690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.081690 (E_RNA)
where:
Base-Base interactions energy: -107.646
where: short stacking energy: -59.890
Base-Backbone interact. energy: -0.085
local terms energy: -142.351245
where:
bonds (distance) C4'-P energy: -32.667
bonds (distance) P-C4' energy: -49.186
flat angles C4'-P-C4' energy: -50.631
flat angles P-C4'-P energy: -17.518
tors. eta vs tors. theta energy: 7.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1033.535817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.535817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.535817 (E_RNA)
where:
Base-Base interactions energy: -710.571
where: short stacking energy: -294.160
Base-Backbone interact. energy: 0.957
local terms energy: -323.922079
where:
bonds (distance) C4'-P energy: -64.022
bonds (distance) P-C4' energy: -55.491
flat angles C4'-P-C4' energy: -63.976
flat angles P-C4'-P energy: -44.724
tors. eta vs tors. theta energy: -95.709
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: 206
Temperature: 0.950000
Total energy: -947.842126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.842126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.842126 (E_RNA)
where:
Base-Base interactions energy: -661.272
where: short stacking energy: -272.035
Base-Backbone interact. energy: -1.642
local terms energy: -284.928403
where:
bonds (distance) C4'-P energy: -59.539
bonds (distance) P-C4' energy: -49.682
flat angles C4'-P-C4' energy: -61.106
flat angles P-C4'-P energy: -34.754
tors. eta vs tors. theta energy: -79.848
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: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -927.485041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.485041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.485041 (E_RNA)
where:
Base-Base interactions energy: -636.021
where: short stacking energy: -294.428
Base-Backbone interact. energy: 1.545
local terms energy: -293.009067
where:
bonds (distance) C4'-P energy: -55.692
bonds (distance) P-C4' energy: -56.635
flat angles C4'-P-C4' energy: -58.189
flat angles P-C4'-P energy: -40.673
tors. eta vs tors. theta energy: -81.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -807.709251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.709251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.709251 (E_RNA)
where:
Base-Base interactions energy: -529.169
where: short stacking energy: -249.633
Base-Backbone interact. energy: -0.747
local terms energy: -277.793015
where:
bonds (distance) C4'-P energy: -41.092
bonds (distance) P-C4' energy: -56.278
flat angles C4'-P-C4' energy: -64.862
flat angles P-C4'-P energy: -43.216
tors. eta vs tors. theta energy: -72.346
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: 206
Temperature: 1.100000
Total energy: -788.385439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.385439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.385439 (E_RNA)
where:
Base-Base interactions energy: -523.792
where: short stacking energy: -238.094
Base-Backbone interact. energy: -1.545
local terms energy: -263.048336
where:
bonds (distance) C4'-P energy: -57.575
bonds (distance) P-C4' energy: -55.436
flat angles C4'-P-C4' energy: -57.969
flat angles P-C4'-P energy: -30.469
tors. eta vs tors. theta energy: -61.600
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: 10
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -708.119288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.119288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.119288 (E_RNA)
where:
Base-Base interactions energy: -468.203
where: short stacking energy: -214.109
Base-Backbone interact. energy: -0.645
local terms energy: -239.271306
where:
bonds (distance) C4'-P energy: -42.445
bonds (distance) P-C4' energy: -42.599
flat angles C4'-P-C4' energy: -57.881
flat angles P-C4'-P energy: -45.002
tors. eta vs tors. theta energy: -51.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -705.590745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.590745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.590745 (E_RNA)
where:
Base-Base interactions energy: -468.087
where: short stacking energy: -209.390
Base-Backbone interact. energy: -0.599
local terms energy: -236.904887
where:
bonds (distance) C4'-P energy: -39.642
bonds (distance) P-C4' energy: -50.554
flat angles C4'-P-C4' energy: -57.371
flat angles P-C4'-P energy: -41.566
tors. eta vs tors. theta energy: -47.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -502.939646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.939646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.939646 (E_RNA)
where:
Base-Base interactions energy: -293.412
where: short stacking energy: -157.149
Base-Backbone interact. energy: -0.436
local terms energy: -209.091612
where:
bonds (distance) C4'-P energy: -47.100
bonds (distance) P-C4' energy: -40.516
flat angles C4'-P-C4' energy: -56.652
flat angles P-C4'-P energy: -26.020
tors. eta vs tors. theta energy: -38.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -515.488860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.488860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.488860 (E_RNA)
where:
Base-Base interactions energy: -327.266
where: short stacking energy: -155.436
Base-Backbone interact. energy: 1.730
local terms energy: -189.953538
where:
bonds (distance) C4'-P energy: -40.370
bonds (distance) P-C4' energy: -40.192
flat angles C4'-P-C4' energy: -54.234
flat angles P-C4'-P energy: -35.762
tors. eta vs tors. theta energy: -19.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -251.451322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.451322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.451322 (E_RNA)
where:
Base-Base interactions energy: -90.663
where: short stacking energy: -82.776
Base-Backbone interact. energy: 5.401
local terms energy: -166.188926
where:
bonds (distance) C4'-P energy: -42.580
bonds (distance) P-C4' energy: -45.482
flat angles C4'-P-C4' energy: -47.435
flat angles P-C4'-P energy: -40.243
tors. eta vs tors. theta energy: 9.551
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: 1, replica: 4
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1035.438964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.438964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.438964 (E_RNA)
where:
Base-Base interactions energy: -718.825
where: short stacking energy: -297.124
Base-Backbone interact. energy: -0.836
local terms energy: -315.778797
where:
bonds (distance) C4'-P energy: -57.559
bonds (distance) P-C4' energy: -60.457
flat angles C4'-P-C4' energy: -60.488
flat angles P-C4'-P energy: -44.662
tors. eta vs tors. theta energy: -92.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -957.296988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.296988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.296988 (E_RNA)
where:
Base-Base interactions energy: -653.300
where: short stacking energy: -312.026
Base-Backbone interact. energy: -0.675
local terms energy: -303.321855
where:
bonds (distance) C4'-P energy: -55.233
bonds (distance) P-C4' energy: -60.256
flat angles C4'-P-C4' energy: -60.412
flat angles P-C4'-P energy: -41.427
tors. eta vs tors. theta energy: -85.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -937.041656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.041656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.041656 (E_RNA)
where:
Base-Base interactions energy: -645.075
where: short stacking energy: -288.587
Base-Backbone interact. energy: -0.839
local terms energy: -291.127487
where:
bonds (distance) C4'-P energy: -55.001
bonds (distance) P-C4' energy: -55.227
flat angles C4'-P-C4' energy: -61.907
flat angles P-C4'-P energy: -36.510
tors. eta vs tors. theta energy: -82.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -837.749330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.749330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.749330 (E_RNA)
where:
Base-Base interactions energy: -571.852
where: short stacking energy: -240.711
Base-Backbone interact. energy: -0.092
local terms energy: -265.804722
where:
bonds (distance) C4'-P energy: -51.234
bonds (distance) P-C4' energy: -50.239
flat angles C4'-P-C4' energy: -63.293
flat angles P-C4'-P energy: -35.595
tors. eta vs tors. theta energy: -65.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -810.095213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.095213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.095213 (E_RNA)
where:
Base-Base interactions energy: -549.972
where: short stacking energy: -258.465
Base-Backbone interact. energy: -2.043
local terms energy: -258.080524
where:
bonds (distance) C4'-P energy: -48.818
bonds (distance) P-C4' energy: -48.686
flat angles C4'-P-C4' energy: -49.674
flat angles P-C4'-P energy: -38.311
tors. eta vs tors. theta energy: -72.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -728.126209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.126209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.126209 (E_RNA)
where:
Base-Base interactions energy: -497.130
where: short stacking energy: -224.606
Base-Backbone interact. energy: -0.761
local terms energy: -230.235583
where:
bonds (distance) C4'-P energy: -52.341
bonds (distance) P-C4' energy: -47.351
flat angles C4'-P-C4' energy: -50.384
flat angles P-C4'-P energy: -24.400
tors. eta vs tors. theta energy: -55.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -653.931558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.931558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.931558 (E_RNA)
where:
Base-Base interactions energy: -429.736
where: short stacking energy: -190.685
Base-Backbone interact. energy: 0.332
local terms energy: -224.528169
where:
bonds (distance) C4'-P energy: -49.735
bonds (distance) P-C4' energy: -52.910
flat angles C4'-P-C4' energy: -41.574
flat angles P-C4'-P energy: -30.325
tors. eta vs tors. theta energy: -49.984
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: 1
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -534.514619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.514619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.514619 (E_RNA)
where:
Base-Base interactions energy: -323.200
where: short stacking energy: -151.554
Base-Backbone interact. energy: -1.891
local terms energy: -209.423007
where:
bonds (distance) C4'-P energy: -46.844
bonds (distance) P-C4' energy: -49.849
flat angles C4'-P-C4' energy: -53.463
flat angles P-C4'-P energy: -29.064
tors. eta vs tors. theta energy: -30.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -450.105726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.105726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.105726 (E_RNA)
where:
Base-Base interactions energy: -260.632
where: short stacking energy: -114.341
Base-Backbone interact. energy: -1.344
local terms energy: -188.129816
where:
bonds (distance) C4'-P energy: -44.684
bonds (distance) P-C4' energy: -54.924
flat angles C4'-P-C4' energy: -50.164
flat angles P-C4'-P energy: -31.777
tors. eta vs tors. theta energy: -6.580
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: 6
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -253.712945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.712945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.712945 (E_RNA)
where:
Base-Base interactions energy: -113.940
where: short stacking energy: -86.206
Base-Backbone interact. energy: -1.408
local terms energy: -138.365365
where:
bonds (distance) C4'-P energy: -28.260
bonds (distance) P-C4' energy: -44.965
flat angles C4'-P-C4' energy: -38.834
flat angles P-C4'-P energy: -31.108
tors. eta vs tors. theta energy: 4.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1030.711929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.711929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.711929 (E_RNA)
where:
Base-Base interactions energy: -709.738
where: short stacking energy: -301.569
Base-Backbone interact. energy: -0.850
local terms energy: -320.123252
where:
bonds (distance) C4'-P energy: -58.404
bonds (distance) P-C4' energy: -57.258
flat angles C4'-P-C4' energy: -67.280
flat angles P-C4'-P energy: -45.557
tors. eta vs tors. theta energy: -91.624
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: 8
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -944.398609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.398609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.398609 (E_RNA)
where:
Base-Base interactions energy: -639.083
where: short stacking energy: -288.077
Base-Backbone interact. energy: -0.324
local terms energy: -304.991106
where:
bonds (distance) C4'-P energy: -64.930
bonds (distance) P-C4' energy: -60.652
flat angles C4'-P-C4' energy: -60.738
flat angles P-C4'-P energy: -38.960
tors. eta vs tors. theta energy: -79.711
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: 7
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -947.219535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.219535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.219535 (E_RNA)
where:
Base-Base interactions energy: -647.129
where: short stacking energy: -273.053
Base-Backbone interact. energy: -0.434
local terms energy: -299.656704
where:
bonds (distance) C4'-P energy: -60.412
bonds (distance) P-C4' energy: -55.713
flat angles C4'-P-C4' energy: -59.762
flat angles P-C4'-P energy: -39.085
tors. eta vs tors. theta energy: -84.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -860.414315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.414315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.414315 (E_RNA)
where:
Base-Base interactions energy: -579.011
where: short stacking energy: -256.379
Base-Backbone interact. energy: -0.005
local terms energy: -281.398838
where:
bonds (distance) C4'-P energy: -58.204
bonds (distance) P-C4' energy: -47.566
flat angles C4'-P-C4' energy: -64.078
flat angles P-C4'-P energy: -35.038
tors. eta vs tors. theta energy: -76.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -797.542484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.542484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.542484 (E_RNA)
where:
Base-Base interactions energy: -526.734
where: short stacking energy: -254.593
Base-Backbone interact. energy: 0.649
local terms energy: -271.457069
where:
bonds (distance) C4'-P energy: -45.390
bonds (distance) P-C4' energy: -44.526
flat angles C4'-P-C4' energy: -65.355
flat angles P-C4'-P energy: -40.209
tors. eta vs tors. theta energy: -75.977
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: 3
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -753.290710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.290710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.290710 (E_RNA)
where:
Base-Base interactions energy: -506.161
where: short stacking energy: -211.509
Base-Backbone interact. energy: 4.097
local terms energy: -251.227135
where:
bonds (distance) C4'-P energy: -44.691
bonds (distance) P-C4' energy: -55.217
flat angles C4'-P-C4' energy: -56.578
flat angles P-C4'-P energy: -43.229
tors. eta vs tors. theta energy: -51.513
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: 7, replica: 10
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -675.893861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.893861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.893861 (E_RNA)
where:
Base-Base interactions energy: -427.941
where: short stacking energy: -196.109
Base-Backbone interact. energy: -1.020
local terms energy: -246.932510
where:
bonds (distance) C4'-P energy: -49.628
bonds (distance) P-C4' energy: -58.215
flat angles C4'-P-C4' energy: -50.302
flat angles P-C4'-P energy: -38.585
tors. eta vs tors. theta energy: -50.203
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: 1
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -523.190688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.190688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.190688 (E_RNA)
where:
Base-Base interactions energy: -313.945
where: short stacking energy: -133.208
Base-Backbone interact. energy: 0.457
local terms energy: -209.702476
where:
bonds (distance) C4'-P energy: -46.818
bonds (distance) P-C4' energy: -50.980
flat angles C4'-P-C4' energy: -45.595
flat angles P-C4'-P energy: -33.235
tors. eta vs tors. theta energy: -33.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -465.988094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.988094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.988094 (E_RNA)
where:
Base-Base interactions energy: -279.095
where: short stacking energy: -123.015
Base-Backbone interact. energy: -0.521
local terms energy: -186.371846
where:
bonds (distance) C4'-P energy: -45.643
bonds (distance) P-C4' energy: -50.249
flat angles C4'-P-C4' energy: -55.632
flat angles P-C4'-P energy: -33.343
tors. eta vs tors. theta energy: -1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -226.935977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.935977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.935977 (E_RNA)
where:
Base-Base interactions energy: -88.144
where: short stacking energy: -52.863
Base-Backbone interact. energy: -0.011
local terms energy: -138.781028
where:
bonds (distance) C4'-P energy: -45.428
bonds (distance) P-C4' energy: -50.372
flat angles C4'-P-C4' energy: -28.818
flat angles P-C4'-P energy: -31.065
tors. eta vs tors. theta energy: 16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1034.148805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.148805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.148805 (E_RNA)
where:
Base-Base interactions energy: -710.118
where: short stacking energy: -303.438
Base-Backbone interact. energy: -2.607
local terms energy: -321.424195
where:
bonds (distance) C4'-P energy: -57.349
bonds (distance) P-C4' energy: -61.730
flat angles C4'-P-C4' energy: -66.054
flat angles P-C4'-P energy: -46.143
tors. eta vs tors. theta energy: -90.148
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: 8
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -952.201330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.201330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.201330 (E_RNA)
where:
Base-Base interactions energy: -651.322
where: short stacking energy: -292.326
Base-Backbone interact. energy: -0.466
local terms energy: -300.413446
where:
bonds (distance) C4'-P energy: -53.097
bonds (distance) P-C4' energy: -51.657
flat angles C4'-P-C4' energy: -67.307
flat angles P-C4'-P energy: -49.837
tors. eta vs tors. theta energy: -78.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -982.769265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.769265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.769265 (E_RNA)
where:
Base-Base interactions energy: -691.309
where: short stacking energy: -288.667
Base-Backbone interact. energy: -0.665
local terms energy: -290.795378
where:
bonds (distance) C4'-P energy: -44.017
bonds (distance) P-C4' energy: -53.796
flat angles C4'-P-C4' energy: -60.091
flat angles P-C4'-P energy: -43.724
tors. eta vs tors. theta energy: -89.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -866.489799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.489799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.489799 (E_RNA)
where:
Base-Base interactions energy: -590.426
where: short stacking energy: -260.931
Base-Backbone interact. energy: -0.215
local terms energy: -275.849745
where:
bonds (distance) C4'-P energy: -45.677
bonds (distance) P-C4' energy: -54.220
flat angles C4'-P-C4' energy: -61.770
flat angles P-C4'-P energy: -43.290
tors. eta vs tors. theta energy: -70.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -802.240922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.240922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.240922 (E_RNA)
where:
Base-Base interactions energy: -543.440
where: short stacking energy: -236.811
Base-Backbone interact. energy: 0.719
local terms energy: -259.519646
where:
bonds (distance) C4'-P energy: -52.104
bonds (distance) P-C4' energy: -56.123
flat angles C4'-P-C4' energy: -45.657
flat angles P-C4'-P energy: -41.138
tors. eta vs tors. theta energy: -64.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -740.804816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.804816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.804816 (E_RNA)
where:
Base-Base interactions energy: -479.278
where: short stacking energy: -203.779
Base-Backbone interact. energy: -1.823
local terms energy: -259.704104
where:
bonds (distance) C4'-P energy: -46.598
bonds (distance) P-C4' energy: -61.742
flat angles C4'-P-C4' energy: -57.276
flat angles P-C4'-P energy: -36.749
tors. eta vs tors. theta energy: -57.339
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: 209
Temperature: 1.200000
Total energy: -705.481584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.481584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.481584 (E_RNA)
where:
Base-Base interactions energy: -463.445
where: short stacking energy: -204.672
Base-Backbone interact. energy: -0.415
local terms energy: -241.621946
where:
bonds (distance) C4'-P energy: -42.156
bonds (distance) P-C4' energy: -59.271
flat angles C4'-P-C4' energy: -48.725
flat angles P-C4'-P energy: -33.386
tors. eta vs tors. theta energy: -58.085
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: 1
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -470.445285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.445285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.445285 (E_RNA)
where:
Base-Base interactions energy: -278.842
where: short stacking energy: -127.767
Base-Backbone interact. energy: 1.993
local terms energy: -193.596171
where:
bonds (distance) C4'-P energy: -42.278
bonds (distance) P-C4' energy: -53.491
flat angles C4'-P-C4' energy: -36.260
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -32.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -446.056022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.056022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.056022 (E_RNA)
where:
Base-Base interactions energy: -253.268
where: short stacking energy: -126.003
Base-Backbone interact. energy: 0.012
local terms energy: -192.799759
where:
bonds (distance) C4'-P energy: -45.379
bonds (distance) P-C4' energy: -53.544
flat angles C4'-P-C4' energy: -51.162
flat angles P-C4'-P energy: -30.275
tors. eta vs tors. theta energy: -12.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -270.238345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.238345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.238345 (E_RNA)
where:
Base-Base interactions energy: -94.717
where: short stacking energy: -73.833
Base-Backbone interact. energy: -2.422
local terms energy: -173.099572
where:
bonds (distance) C4'-P energy: -52.769
bonds (distance) P-C4' energy: -46.832
flat angles C4'-P-C4' energy: -40.124
flat angles P-C4'-P energy: -34.184
tors. eta vs tors. theta energy: 0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1042.509078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.509078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.509078 (E_RNA)
where:
Base-Base interactions energy: -726.266
where: short stacking energy: -299.359
Base-Backbone interact. energy: -2.153
local terms energy: -314.089502
where:
bonds (distance) C4'-P energy: -53.920
bonds (distance) P-C4' energy: -53.088
flat angles C4'-P-C4' energy: -68.900
flat angles P-C4'-P energy: -46.580
tors. eta vs tors. theta energy: -91.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -952.937250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.937250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.937250 (E_RNA)
where:
Base-Base interactions energy: -651.959
where: short stacking energy: -279.304
Base-Backbone interact. energy: -1.965
local terms energy: -299.013031
where:
bonds (distance) C4'-P energy: -52.540
bonds (distance) P-C4' energy: -54.881
flat angles C4'-P-C4' energy: -65.317
flat angles P-C4'-P energy: -44.608
tors. eta vs tors. theta energy: -81.668
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: 7
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -952.552576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.552576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.552576 (E_RNA)
where:
Base-Base interactions energy: -665.010
where: short stacking energy: -273.575
Base-Backbone interact. energy: -0.628
local terms energy: -286.914551
where:
bonds (distance) C4'-P energy: -52.562
bonds (distance) P-C4' energy: -49.679
flat angles C4'-P-C4' energy: -60.336
flat angles P-C4'-P energy: -37.087
tors. eta vs tors. theta energy: -87.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -877.093562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.093562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.093562 (E_RNA)
where:
Base-Base interactions energy: -604.919
where: short stacking energy: -268.452
Base-Backbone interact. energy: -1.490
local terms energy: -270.685246
where:
bonds (distance) C4'-P energy: -51.346
bonds (distance) P-C4' energy: -45.585
flat angles C4'-P-C4' energy: -52.866
flat angles P-C4'-P energy: -42.096
tors. eta vs tors. theta energy: -78.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -806.769069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.769069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.769069 (E_RNA)
where:
Base-Base interactions energy: -541.954
where: short stacking energy: -272.851
Base-Backbone interact. energy: -0.560
local terms energy: -264.254666
where:
bonds (distance) C4'-P energy: -41.213
bonds (distance) P-C4' energy: -42.064
flat angles C4'-P-C4' energy: -61.587
flat angles P-C4'-P energy: -37.315
tors. eta vs tors. theta energy: -82.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -737.713916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.713916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.713916 (E_RNA)
where:
Base-Base interactions energy: -499.415
where: short stacking energy: -223.922
Base-Backbone interact. energy: -0.596
local terms energy: -237.702634
where:
bonds (distance) C4'-P energy: -44.691
bonds (distance) P-C4' energy: -47.901
flat angles C4'-P-C4' energy: -56.508
flat angles P-C4'-P energy: -32.383
tors. eta vs tors. theta energy: -56.220
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: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -671.500795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.500795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.500795 (E_RNA)
where:
Base-Base interactions energy: -435.768
where: short stacking energy: -195.776
Base-Backbone interact. energy: -0.361
local terms energy: -235.371356
where:
bonds (distance) C4'-P energy: -50.310
bonds (distance) P-C4' energy: -53.338
flat angles C4'-P-C4' energy: -55.925
flat angles P-C4'-P energy: -27.433
tors. eta vs tors. theta energy: -48.364
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: 1
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -489.349672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.349672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.349672 (E_RNA)
where:
Base-Base interactions energy: -292.789
where: short stacking energy: -144.329
Base-Backbone interact. energy: -1.235
local terms energy: -195.325769
where:
bonds (distance) C4'-P energy: -48.707
bonds (distance) P-C4' energy: -47.281
flat angles C4'-P-C4' energy: -53.821
flat angles P-C4'-P energy: -24.198
tors. eta vs tors. theta energy: -21.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -478.082980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.082980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.082980 (E_RNA)
where:
Base-Base interactions energy: -286.811
where: short stacking energy: -129.243
Base-Backbone interact. energy: 0.252
local terms energy: -191.523612
where:
bonds (distance) C4'-P energy: -41.788
bonds (distance) P-C4' energy: -45.878
flat angles C4'-P-C4' energy: -49.187
flat angles P-C4'-P energy: -33.921
tors. eta vs tors. theta energy: -20.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -263.288005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.288005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.288005 (E_RNA)
where:
Base-Base interactions energy: -97.074
where: short stacking energy: -68.935
Base-Backbone interact. energy: -2.408
local terms energy: -163.806850
where:
bonds (distance) C4'-P energy: -43.895
bonds (distance) P-C4' energy: -46.209
flat angles C4'-P-C4' energy: -42.972
flat angles P-C4'-P energy: -39.756
tors. eta vs tors. theta energy: 9.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1044.758530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.758530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.758530 (E_RNA)
where:
Base-Base interactions energy: -732.369
where: short stacking energy: -318.545
Base-Backbone interact. energy: -0.006
local terms energy: -312.383039
where:
bonds (distance) C4'-P energy: -54.589
bonds (distance) P-C4' energy: -52.605
flat angles C4'-P-C4' energy: -68.914
flat angles P-C4'-P energy: -43.664
tors. eta vs tors. theta energy: -92.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -952.903051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.903051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.903051 (E_RNA)
where:
Base-Base interactions energy: -648.692
where: short stacking energy: -283.716
Base-Backbone interact. energy: 0.859
local terms energy: -305.069953
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -60.581
flat angles C4'-P-C4' energy: -62.289
flat angles P-C4'-P energy: -45.070
tors. eta vs tors. theta energy: -87.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -943.586830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.586830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.586830 (E_RNA)
where:
Base-Base interactions energy: -669.161
where: short stacking energy: -271.612
Base-Backbone interact. energy: 0.870
local terms energy: -275.295652
where:
bonds (distance) C4'-P energy: -48.304
bonds (distance) P-C4' energy: -50.991
flat angles C4'-P-C4' energy: -66.462
flat angles P-C4'-P energy: -33.731
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: 4, replica: 5
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -874.125572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.125572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.125572 (E_RNA)
where:
Base-Base interactions energy: -607.934
where: short stacking energy: -257.384
Base-Backbone interact. energy: 0.458
local terms energy: -266.649622
where:
bonds (distance) C4'-P energy: -47.807
bonds (distance) P-C4' energy: -58.440
flat angles C4'-P-C4' energy: -56.915
flat angles P-C4'-P energy: -32.103
tors. eta vs tors. theta energy: -71.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -799.511898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.511898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.511898 (E_RNA)
where:
Base-Base interactions energy: -528.703
where: short stacking energy: -240.740
Base-Backbone interact. energy: 1.577
local terms energy: -272.386055
where:
bonds (distance) C4'-P energy: -52.416
bonds (distance) P-C4' energy: -53.459
flat angles C4'-P-C4' energy: -52.723
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -68.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -731.605957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.605957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.605957 (E_RNA)
where:
Base-Base interactions energy: -469.773
where: short stacking energy: -194.964
Base-Backbone interact. energy: 0.418
local terms energy: -262.250875
where:
bonds (distance) C4'-P energy: -53.336
bonds (distance) P-C4' energy: -60.900
flat angles C4'-P-C4' energy: -57.090
flat angles P-C4'-P energy: -33.563
tors. eta vs tors. theta energy: -57.361
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: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -679.377123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.377123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.377123 (E_RNA)
where:
Base-Base interactions energy: -459.733
where: short stacking energy: -197.779
Base-Backbone interact. energy: 0.664
local terms energy: -220.308178
where:
bonds (distance) C4'-P energy: -44.643
bonds (distance) P-C4' energy: -45.261
flat angles C4'-P-C4' energy: -48.003
flat angles P-C4'-P energy: -38.034
tors. eta vs tors. theta energy: -44.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -519.004310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.004310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.004310 (E_RNA)
where:
Base-Base interactions energy: -315.839
where: short stacking energy: -166.330
Base-Backbone interact. energy: 0.181
local terms energy: -203.346339
where:
bonds (distance) C4'-P energy: -44.402
bonds (distance) P-C4' energy: -50.614
flat angles C4'-P-C4' energy: -51.126
flat angles P-C4'-P energy: -31.690
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -457.193312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.193312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.193312 (E_RNA)
where:
Base-Base interactions energy: -267.943
where: short stacking energy: -121.454
Base-Backbone interact. energy: -0.882
local terms energy: -188.368120
where:
bonds (distance) C4'-P energy: -56.712
bonds (distance) P-C4' energy: -45.487
flat angles C4'-P-C4' energy: -40.652
flat angles P-C4'-P energy: -32.607
tors. eta vs tors. theta energy: -12.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -244.490337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.490337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.490337 (E_RNA)
where:
Base-Base interactions energy: -74.381
where: short stacking energy: -64.631
Base-Backbone interact. energy: 2.427
local terms energy: -172.536615
where:
bonds (distance) C4'-P energy: -47.041
bonds (distance) P-C4' energy: -46.840
flat angles C4'-P-C4' energy: -50.677
flat angles P-C4'-P energy: -34.223
tors. eta vs tors. theta energy: 6.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -1024.862690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.862690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.862690 (E_RNA)
where:
Base-Base interactions energy: -714.481
where: short stacking energy: -301.699
Base-Backbone interact. energy: -1.606
local terms energy: -308.775250
where:
bonds (distance) C4'-P energy: -49.399
bonds (distance) P-C4' energy: -52.645
flat angles C4'-P-C4' energy: -70.862
flat angles P-C4'-P energy: -42.754
tors. eta vs tors. theta energy: -93.115
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: 2, replica: 8
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -939.399817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.399817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.399817 (E_RNA)
where:
Base-Base interactions energy: -640.350
where: short stacking energy: -287.390
Base-Backbone interact. energy: -0.188
local terms energy: -298.861746
where:
bonds (distance) C4'-P energy: -56.970
bonds (distance) P-C4' energy: -55.079
flat angles C4'-P-C4' energy: -60.928
flat angles P-C4'-P energy: -43.029
tors. eta vs tors. theta energy: -82.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -910.345053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.345053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.345053 (E_RNA)
where:
Base-Base interactions energy: -615.195
where: short stacking energy: -269.438
Base-Backbone interact. energy: -1.471
local terms energy: -293.678686
where:
bonds (distance) C4'-P energy: -51.230
bonds (distance) P-C4' energy: -57.971
flat angles C4'-P-C4' energy: -61.489
flat angles P-C4'-P energy: -39.244
tors. eta vs tors. theta energy: -83.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -939.621761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.621761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.621761 (E_RNA)
where:
Base-Base interactions energy: -655.578
where: short stacking energy: -274.365
Base-Backbone interact. energy: 0.258
local terms energy: -284.301591
where:
bonds (distance) C4'-P energy: -50.429
bonds (distance) P-C4' energy: -53.331
flat angles C4'-P-C4' energy: -55.230
flat angles P-C4'-P energy: -43.666
tors. eta vs tors. theta energy: -81.646
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: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -788.675196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.675196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.675196 (E_RNA)
where:
Base-Base interactions energy: -517.121
where: short stacking energy: -238.135
Base-Backbone interact. energy: -0.238
local terms energy: -271.316368
where:
bonds (distance) C4'-P energy: -46.824
bonds (distance) P-C4' energy: -45.865
flat angles C4'-P-C4' energy: -59.169
flat angles P-C4'-P energy: -44.599
tors. eta vs tors. theta energy: -74.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -726.295903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.295903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.295903 (E_RNA)
where:
Base-Base interactions energy: -487.904
where: short stacking energy: -218.221
Base-Backbone interact. energy: -0.591
local terms energy: -237.800856
where:
bonds (distance) C4'-P energy: -48.507
bonds (distance) P-C4' energy: -49.862
flat angles C4'-P-C4' energy: -55.611
flat angles P-C4'-P energy: -24.668
tors. eta vs tors. theta energy: -59.152
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: 212
Temperature: 1.200000
Total energy: -663.053174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.053174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.053174 (E_RNA)
where:
Base-Base interactions energy: -435.362
where: short stacking energy: -197.271
Base-Backbone interact. energy: 0.313
local terms energy: -228.004717
where:
bonds (distance) C4'-P energy: -52.571
bonds (distance) P-C4' energy: -37.425
flat angles C4'-P-C4' energy: -49.781
flat angles P-C4'-P energy: -37.489
tors. eta vs tors. theta energy: -50.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -531.622907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.622907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.622907 (E_RNA)
where:
Base-Base interactions energy: -329.739
where: short stacking energy: -153.819
Base-Backbone interact. energy: -2.371
local terms energy: -199.513141
where:
bonds (distance) C4'-P energy: -38.555
bonds (distance) P-C4' energy: -55.740
flat angles C4'-P-C4' energy: -42.548
flat angles P-C4'-P energy: -35.018
tors. eta vs tors. theta energy: -27.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -515.023669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.023669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.023669 (E_RNA)
where:
Base-Base interactions energy: -296.954
where: short stacking energy: -155.905
Base-Backbone interact. energy: -1.023
local terms energy: -217.046466
where:
bonds (distance) C4'-P energy: -58.560
bonds (distance) P-C4' energy: -49.691
flat angles C4'-P-C4' energy: -43.285
flat angles P-C4'-P energy: -30.183
tors. eta vs tors. theta energy: -35.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -251.324970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.324970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.324970 (E_RNA)
where:
Base-Base interactions energy: -92.496
where: short stacking energy: -64.162
Base-Backbone interact. energy: 0.866
local terms energy: -159.694604
where:
bonds (distance) C4'-P energy: -41.878
bonds (distance) P-C4' energy: -52.175
flat angles C4'-P-C4' energy: -48.673
flat angles P-C4'-P energy: -22.273
tors. eta vs tors. theta energy: 5.303
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: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1038.518548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.518548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.518548 (E_RNA)
where:
Base-Base interactions energy: -717.896
where: short stacking energy: -305.390
Base-Backbone interact. energy: 0.034
local terms energy: -320.656765
where:
bonds (distance) C4'-P energy: -59.371
bonds (distance) P-C4' energy: -54.796
flat angles C4'-P-C4' energy: -67.997
flat angles P-C4'-P energy: -45.229
tors. eta vs tors. theta energy: -93.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -941.399797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.399797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.399797 (E_RNA)
where:
Base-Base interactions energy: -647.029
where: short stacking energy: -295.840
Base-Backbone interact. energy: -0.250
local terms energy: -294.120522
where:
bonds (distance) C4'-P energy: -50.403
bonds (distance) P-C4' energy: -53.209
flat angles C4'-P-C4' energy: -58.890
flat angles P-C4'-P energy: -45.882
tors. eta vs tors. theta energy: -85.737
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: 8
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -957.760134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.760134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.760134 (E_RNA)
where:
Base-Base interactions energy: -634.335
where: short stacking energy: -289.434
Base-Backbone interact. energy: -2.539
local terms energy: -320.885770
where:
bonds (distance) C4'-P energy: -55.291
bonds (distance) P-C4' energy: -60.815
flat angles C4'-P-C4' energy: -70.366
flat angles P-C4'-P energy: -46.242
tors. eta vs tors. theta energy: -88.171
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: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -913.138621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.138621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.138621 (E_RNA)
where:
Base-Base interactions energy: -626.134
where: short stacking energy: -269.094
Base-Backbone interact. energy: 0.118
local terms energy: -287.122057
where:
bonds (distance) C4'-P energy: -51.588
bonds (distance) P-C4' energy: -56.790
flat angles C4'-P-C4' energy: -60.430
flat angles P-C4'-P energy: -42.042
tors. eta vs tors. theta energy: -76.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -798.689531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.689531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.689531 (E_RNA)
where:
Base-Base interactions energy: -536.459
where: short stacking energy: -255.412
Base-Backbone interact. energy: -0.369
local terms energy: -261.861718
where:
bonds (distance) C4'-P energy: -48.108
bonds (distance) P-C4' energy: -46.264
flat angles C4'-P-C4' energy: -57.123
flat angles P-C4'-P energy: -33.183
tors. eta vs tors. theta energy: -77.185
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: 3
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -722.526858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.526858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.526858 (E_RNA)
where:
Base-Base interactions energy: -471.497
where: short stacking energy: -196.554
Base-Backbone interact. energy: -2.049
local terms energy: -248.981030
where:
bonds (distance) C4'-P energy: -56.583
bonds (distance) P-C4' energy: -50.250
flat angles C4'-P-C4' energy: -53.481
flat angles P-C4'-P energy: -40.309
tors. eta vs tors. theta energy: -48.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -701.396438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.396438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.396438 (E_RNA)
where:
Base-Base interactions energy: -464.383
where: short stacking energy: -200.437
Base-Backbone interact. energy: -0.819
local terms energy: -236.195091
where:
bonds (distance) C4'-P energy: -48.898
bonds (distance) P-C4' energy: -53.920
flat angles C4'-P-C4' energy: -57.019
flat angles P-C4'-P energy: -30.890
tors. eta vs tors. theta energy: -45.468
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: 1
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -510.062362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.062362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.062362 (E_RNA)
where:
Base-Base interactions energy: -303.729
where: short stacking energy: -153.781
Base-Backbone interact. energy: -0.977
local terms energy: -205.356918
where:
bonds (distance) C4'-P energy: -49.145
bonds (distance) P-C4' energy: -51.127
flat angles C4'-P-C4' energy: -45.783
flat angles P-C4'-P energy: -31.908
tors. eta vs tors. theta energy: -27.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -464.332008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.332008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.332008 (E_RNA)
where:
Base-Base interactions energy: -264.500
where: short stacking energy: -139.482
Base-Backbone interact. energy: -0.579
local terms energy: -199.252811
where:
bonds (distance) C4'-P energy: -51.199
bonds (distance) P-C4' energy: -47.877
flat angles C4'-P-C4' energy: -50.429
flat angles P-C4'-P energy: -21.416
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -268.282670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.282670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.282670 (E_RNA)
where:
Base-Base interactions energy: -99.213
where: short stacking energy: -76.718
Base-Backbone interact. energy: -1.492
local terms energy: -167.577741
where:
bonds (distance) C4'-P energy: -52.084
bonds (distance) P-C4' energy: -51.279
flat angles C4'-P-C4' energy: -37.041
flat angles P-C4'-P energy: -24.008
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1029.277173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.277173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.277173 (E_RNA)
where:
Base-Base interactions energy: -720.448
where: short stacking energy: -299.061
Base-Backbone interact. energy: -1.023
local terms energy: -307.806057
where:
bonds (distance) C4'-P energy: -55.964
bonds (distance) P-C4' energy: -54.788
flat angles C4'-P-C4' energy: -63.109
flat angles P-C4'-P energy: -44.664
tors. eta vs tors. theta energy: -89.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -941.768123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.768123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.768123 (E_RNA)
where:
Base-Base interactions energy: -645.640
where: short stacking energy: -293.714
Base-Backbone interact. energy: -1.397
local terms energy: -294.730511
where:
bonds (distance) C4'-P energy: -50.244
bonds (distance) P-C4' energy: -54.659
flat angles C4'-P-C4' energy: -63.182
flat angles P-C4'-P energy: -39.094
tors. eta vs tors. theta energy: -87.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -920.894102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.894102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.894102 (E_RNA)
where:
Base-Base interactions energy: -631.320
where: short stacking energy: -290.323
Base-Backbone interact. energy: -0.152
local terms energy: -289.422570
where:
bonds (distance) C4'-P energy: -54.157
bonds (distance) P-C4' energy: -53.164
flat angles C4'-P-C4' energy: -61.886
flat angles P-C4'-P energy: -37.341
tors. eta vs tors. theta energy: -82.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -899.441364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.441364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.441364 (E_RNA)
where:
Base-Base interactions energy: -628.368
where: short stacking energy: -259.392
Base-Backbone interact. energy: 0.818
local terms energy: -271.892076
where:
bonds (distance) C4'-P energy: -53.781
bonds (distance) P-C4' energy: -47.238
flat angles C4'-P-C4' energy: -65.397
flat angles P-C4'-P energy: -34.400
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: 5, replica: 2
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -772.711206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.711206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.711206 (E_RNA)
where:
Base-Base interactions energy: -498.202
where: short stacking energy: -217.087
Base-Backbone interact. energy: -0.718
local terms energy: -273.791611
where:
bonds (distance) C4'-P energy: -60.313
bonds (distance) P-C4' energy: -59.670
flat angles C4'-P-C4' energy: -55.791
flat angles P-C4'-P energy: -35.339
tors. eta vs tors. theta energy: -62.678
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: 214
Temperature: 1.150000
Total energy: -677.011612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.011612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.011612 (E_RNA)
where:
Base-Base interactions energy: -430.987
where: short stacking energy: -200.295
Base-Backbone interact. energy: -1.560
local terms energy: -244.464746
where:
bonds (distance) C4'-P energy: -48.074
bonds (distance) P-C4' energy: -58.272
flat angles C4'-P-C4' energy: -49.402
flat angles P-C4'-P energy: -36.659
tors. eta vs tors. theta energy: -52.057
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: 214
Temperature: 1.200000
Total energy: -652.526410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.526410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.526410 (E_RNA)
where:
Base-Base interactions energy: -429.583
where: short stacking energy: -188.730
Base-Backbone interact. energy: -1.092
local terms energy: -221.850894
where:
bonds (distance) C4'-P energy: -49.205
bonds (distance) P-C4' energy: -56.461
flat angles C4'-P-C4' energy: -45.558
flat angles P-C4'-P energy: -33.478
tors. eta vs tors. theta energy: -37.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -554.829310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.829310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.829310 (E_RNA)
where:
Base-Base interactions energy: -325.948
where: short stacking energy: -173.331
Base-Backbone interact. energy: -0.066
local terms energy: -228.815050
where:
bonds (distance) C4'-P energy: -59.906
bonds (distance) P-C4' energy: -52.561
flat angles C4'-P-C4' energy: -55.159
flat angles P-C4'-P energy: -26.852
tors. eta vs tors. theta energy: -34.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -469.969135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.969135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.969135 (E_RNA)
where:
Base-Base interactions energy: -263.851
where: short stacking energy: -133.771
Base-Backbone interact. energy: -0.831
local terms energy: -205.287341
where:
bonds (distance) C4'-P energy: -42.487
bonds (distance) P-C4' energy: -54.517
flat angles C4'-P-C4' energy: -54.189
flat angles P-C4'-P energy: -23.172
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: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -305.258367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.258367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.258367 (E_RNA)
where:
Base-Base interactions energy: -151.360
where: short stacking energy: -89.317
Base-Backbone interact. energy: -0.487
local terms energy: -153.411515
where:
bonds (distance) C4'-P energy: -28.352
bonds (distance) P-C4' energy: -47.631
flat angles C4'-P-C4' energy: -41.377
flat angles P-C4'-P energy: -27.669
tors. eta vs tors. theta energy: -8.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -1033.150460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.150460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.150460 (E_RNA)
where:
Base-Base interactions energy: -726.675
where: short stacking energy: -294.625
Base-Backbone interact. energy: -1.446
local terms energy: -305.029686
where:
bonds (distance) C4'-P energy: -59.226
bonds (distance) P-C4' energy: -54.707
flat angles C4'-P-C4' energy: -64.358
flat angles P-C4'-P energy: -39.998
tors. eta vs tors. theta energy: -86.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -961.651563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.651563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.651563 (E_RNA)
where:
Base-Base interactions energy: -660.632
where: short stacking energy: -282.240
Base-Backbone interact. energy: -1.949
local terms energy: -299.070528
where:
bonds (distance) C4'-P energy: -50.023
bonds (distance) P-C4' energy: -54.751
flat angles C4'-P-C4' energy: -64.718
flat angles P-C4'-P energy: -43.790
tors. eta vs tors. theta energy: -85.789
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: 3, replica: 8
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -915.581863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.581863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.581863 (E_RNA)
where:
Base-Base interactions energy: -630.936
where: short stacking energy: -287.462
Base-Backbone interact. energy: 1.507
local terms energy: -286.152482
where:
bonds (distance) C4'-P energy: -54.966
bonds (distance) P-C4' energy: -44.518
flat angles C4'-P-C4' energy: -62.951
flat angles P-C4'-P energy: -44.451
tors. eta vs tors. theta energy: -79.267
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: 4, replica: 7
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -924.067804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.067804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.067804 (E_RNA)
where:
Base-Base interactions energy: -646.855
where: short stacking energy: -267.028
Base-Backbone interact. energy: -1.662
local terms energy: -275.550042
where:
bonds (distance) C4'-P energy: -39.181
bonds (distance) P-C4' energy: -58.577
flat angles C4'-P-C4' energy: -62.149
flat angles P-C4'-P energy: -37.943
tors. eta vs tors. theta energy: -77.700
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: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -791.374352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.374352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.374352 (E_RNA)
where:
Base-Base interactions energy: -520.317
where: short stacking energy: -241.223
Base-Backbone interact. energy: -0.459
local terms energy: -270.598920
where:
bonds (distance) C4'-P energy: -43.054
bonds (distance) P-C4' energy: -52.927
flat angles C4'-P-C4' energy: -59.223
flat angles P-C4'-P energy: -41.544
tors. eta vs tors. theta energy: -73.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -653.219760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.219760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.219760 (E_RNA)
where:
Base-Base interactions energy: -425.069
where: short stacking energy: -196.619
Base-Backbone interact. energy: 0.151
local terms energy: -228.302745
where:
bonds (distance) C4'-P energy: -54.892
bonds (distance) P-C4' energy: -49.917
flat angles C4'-P-C4' energy: -47.801
flat angles P-C4'-P energy: -27.298
tors. eta vs tors. theta energy: -48.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -667.319902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.319902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.319902 (E_RNA)
where:
Base-Base interactions energy: -441.976
where: short stacking energy: -214.276
Base-Backbone interact. energy: -1.261
local terms energy: -224.082926
where:
bonds (distance) C4'-P energy: -59.448
bonds (distance) P-C4' energy: -29.725
flat angles C4'-P-C4' energy: -51.886
flat angles P-C4'-P energy: -31.867
tors. eta vs tors. theta energy: -51.157
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: 8, replica: 1
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -490.863236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.863236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.863236 (E_RNA)
where:
Base-Base interactions energy: -298.128
where: short stacking energy: -143.390
Base-Backbone interact. energy: -2.205
local terms energy: -190.529516
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -55.281
flat angles C4'-P-C4' energy: -47.572
flat angles P-C4'-P energy: -18.481
tors. eta vs tors. theta energy: -22.875
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: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -474.987060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.987060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.987060 (E_RNA)
where:
Base-Base interactions energy: -289.025
where: short stacking energy: -155.467
Base-Backbone interact. energy: 3.283
local terms energy: -189.245380
where:
bonds (distance) C4'-P energy: -41.601
bonds (distance) P-C4' energy: -54.618
flat angles C4'-P-C4' energy: -36.197
flat angles P-C4'-P energy: -31.135
tors. eta vs tors. theta energy: -25.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -342.718853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.718853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.718853 (E_RNA)
where:
Base-Base interactions energy: -187.093
where: short stacking energy: -106.961
Base-Backbone interact. energy: -0.955
local terms energy: -154.671307
where:
bonds (distance) C4'-P energy: -36.460
bonds (distance) P-C4' energy: -53.019
flat angles C4'-P-C4' energy: -46.154
flat angles P-C4'-P energy: -19.331
tors. eta vs tors. theta energy: 0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1020.646775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.646775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.646775 (E_RNA)
where:
Base-Base interactions energy: -699.083
where: short stacking energy: -293.744
Base-Backbone interact. energy: -2.005
local terms energy: -319.558819
where:
bonds (distance) C4'-P energy: -59.136
bonds (distance) P-C4' energy: -57.183
flat angles C4'-P-C4' energy: -62.819
flat angles P-C4'-P energy: -50.480
tors. eta vs tors. theta energy: -89.941
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: 5
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -967.196401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.196401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.196401 (E_RNA)
where:
Base-Base interactions energy: -661.316
where: short stacking energy: -284.910
Base-Backbone interact. energy: -0.805
local terms energy: -305.075477
where:
bonds (distance) C4'-P energy: -50.118
bonds (distance) P-C4' energy: -63.478
flat angles C4'-P-C4' energy: -53.679
flat angles P-C4'-P energy: -45.859
tors. eta vs tors. theta energy: -91.941
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: 8
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -919.643050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.643050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.643050 (E_RNA)
where:
Base-Base interactions energy: -631.350
where: short stacking energy: -288.200
Base-Backbone interact. energy: -1.680
local terms energy: -286.613120
where:
bonds (distance) C4'-P energy: -43.162
bonds (distance) P-C4' energy: -54.345
flat angles C4'-P-C4' energy: -64.983
flat angles P-C4'-P energy: -40.687
tors. eta vs tors. theta energy: -83.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -921.076120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.076120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.076120 (E_RNA)
where:
Base-Base interactions energy: -644.137
where: short stacking energy: -265.151
Base-Backbone interact. energy: -0.261
local terms energy: -276.677722
where:
bonds (distance) C4'-P energy: -42.228
bonds (distance) P-C4' energy: -53.479
flat angles C4'-P-C4' energy: -65.713
flat angles P-C4'-P energy: -40.420
tors. eta vs tors. theta energy: -74.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -819.022937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.022937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.022937 (E_RNA)
where:
Base-Base interactions energy: -553.188
where: short stacking energy: -250.684
Base-Backbone interact. energy: -0.536
local terms energy: -265.299510
where:
bonds (distance) C4'-P energy: -49.997
bonds (distance) P-C4' energy: -47.179
flat angles C4'-P-C4' energy: -53.523
flat angles P-C4'-P energy: -41.018
tors. eta vs tors. theta energy: -73.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -662.263607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.263607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.263607 (E_RNA)
where:
Base-Base interactions energy: -431.492
where: short stacking energy: -202.810
Base-Backbone interact. energy: 1.451
local terms energy: -232.222780
where:
bonds (distance) C4'-P energy: -55.899
bonds (distance) P-C4' energy: -53.787
flat angles C4'-P-C4' energy: -40.366
flat angles P-C4'-P energy: -36.514
tors. eta vs tors. theta energy: -45.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -699.478224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.478224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.478224 (E_RNA)
where:
Base-Base interactions energy: -472.999
where: short stacking energy: -222.170
Base-Backbone interact. energy: -1.692
local terms energy: -224.787449
where:
bonds (distance) C4'-P energy: -34.392
bonds (distance) P-C4' energy: -54.317
flat angles C4'-P-C4' energy: -53.307
flat angles P-C4'-P energy: -33.392
tors. eta vs tors. theta energy: -49.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -544.054653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.054653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.054653 (E_RNA)
where:
Base-Base interactions energy: -337.899
where: short stacking energy: -175.802
Base-Backbone interact. energy: -1.416
local terms energy: -204.739612
where:
bonds (distance) C4'-P energy: -43.939
bonds (distance) P-C4' energy: -50.962
flat angles C4'-P-C4' energy: -51.646
flat angles P-C4'-P energy: -25.568
tors. eta vs tors. theta energy: -32.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -477.328461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.328461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.328461 (E_RNA)
where:
Base-Base interactions energy: -288.085
where: short stacking energy: -150.627
Base-Backbone interact. energy: -1.199
local terms energy: -188.044443
where:
bonds (distance) C4'-P energy: -42.580
bonds (distance) P-C4' energy: -45.800
flat angles C4'-P-C4' energy: -41.924
flat angles P-C4'-P energy: -35.346
tors. eta vs tors. theta energy: -22.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -392.636524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.636524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.636524 (E_RNA)
where:
Base-Base interactions energy: -229.289
where: short stacking energy: -121.803
Base-Backbone interact. energy: 3.470
local terms energy: -166.817785
where:
bonds (distance) C4'-P energy: -46.758
bonds (distance) P-C4' energy: -49.467
flat angles C4'-P-C4' energy: -44.065
flat angles P-C4'-P energy: -21.294
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1034.251994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.251994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.251994 (E_RNA)
where:
Base-Base interactions energy: -733.965
where: short stacking energy: -297.752
Base-Backbone interact. energy: -1.781
local terms energy: -298.505911
where:
bonds (distance) C4'-P energy: -55.609
bonds (distance) P-C4' energy: -57.162
flat angles C4'-P-C4' energy: -61.926
flat angles P-C4'-P energy: -32.739
tors. eta vs tors. theta energy: -91.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -949.815827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.815827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.815827 (E_RNA)
where:
Base-Base interactions energy: -653.759
where: short stacking energy: -288.594
Base-Backbone interact. energy: -0.423
local terms energy: -295.634221
where:
bonds (distance) C4'-P energy: -52.701
bonds (distance) P-C4' energy: -61.264
flat angles C4'-P-C4' energy: -61.447
flat angles P-C4'-P energy: -38.700
tors. eta vs tors. theta energy: -81.523
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: 5
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -912.347586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.347586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.347586 (E_RNA)
where:
Base-Base interactions energy: -644.993
where: short stacking energy: -275.301
Base-Backbone interact. energy: -0.555
local terms energy: -266.799149
where:
bonds (distance) C4'-P energy: -52.552
bonds (distance) P-C4' energy: -44.116
flat angles C4'-P-C4' energy: -55.681
flat angles P-C4'-P energy: -32.359
tors. eta vs tors. theta energy: -82.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -926.895388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.895388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.895388 (E_RNA)
where:
Base-Base interactions energy: -659.987
where: short stacking energy: -276.294
Base-Backbone interact. energy: -0.183
local terms energy: -266.724672
where:
bonds (distance) C4'-P energy: -48.693
bonds (distance) P-C4' energy: -53.663
flat angles C4'-P-C4' energy: -53.558
flat angles P-C4'-P energy: -37.795
tors. eta vs tors. theta energy: -73.016
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: 2
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -832.324276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.324276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.324276 (E_RNA)
where:
Base-Base interactions energy: -572.126
where: short stacking energy: -267.576
Base-Backbone interact. energy: -0.636
local terms energy: -259.561692
where:
bonds (distance) C4'-P energy: -49.654
bonds (distance) P-C4' energy: -44.374
flat angles C4'-P-C4' energy: -53.926
flat angles P-C4'-P energy: -35.783
tors. eta vs tors. theta energy: -75.825
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: 217
Temperature: 1.150000
Total energy: -730.232185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.232185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.232185 (E_RNA)
where:
Base-Base interactions energy: -477.280
where: short stacking energy: -218.745
Base-Backbone interact. energy: -0.723
local terms energy: -252.229440
where:
bonds (distance) C4'-P energy: -48.366
bonds (distance) P-C4' energy: -44.877
flat angles C4'-P-C4' energy: -60.659
flat angles P-C4'-P energy: -38.405
tors. eta vs tors. theta energy: -59.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -664.632740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.632740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.632740 (E_RNA)
where:
Base-Base interactions energy: -424.856
where: short stacking energy: -199.654
Base-Backbone interact. energy: -0.763
local terms energy: -239.013192
where:
bonds (distance) C4'-P energy: -50.401
bonds (distance) P-C4' energy: -53.249
flat angles C4'-P-C4' energy: -46.601
flat angles P-C4'-P energy: -32.612
tors. eta vs tors. theta energy: -56.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -506.988258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -506.988258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -506.988258 (E_RNA)
where:
Base-Base interactions energy: -307.858
where: short stacking energy: -169.008
Base-Backbone interact. energy: -0.582
local terms energy: -198.548289
where:
bonds (distance) C4'-P energy: -44.849
bonds (distance) P-C4' energy: -46.757
flat angles C4'-P-C4' energy: -40.661
flat angles P-C4'-P energy: -33.257
tors. eta vs tors. theta energy: -33.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -458.393925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.393925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.393925 (E_RNA)
where:
Base-Base interactions energy: -276.102
where: short stacking energy: -137.581
Base-Backbone interact. energy: -0.122
local terms energy: -182.170453
where:
bonds (distance) C4'-P energy: -42.771
bonds (distance) P-C4' energy: -46.293
flat angles C4'-P-C4' energy: -45.535
flat angles P-C4'-P energy: -30.702
tors. eta vs tors. theta energy: -16.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -376.927982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.927982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.927982 (E_RNA)
where:
Base-Base interactions energy: -200.369
where: short stacking energy: -109.593
Base-Backbone interact. energy: 2.557
local terms energy: -179.115425
where:
bonds (distance) C4'-P energy: -41.868
bonds (distance) P-C4' energy: -47.358
flat angles C4'-P-C4' energy: -42.632
flat angles P-C4'-P energy: -28.356
tors. eta vs tors. theta energy: -18.901
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: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1027.514720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.514720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.514720 (E_RNA)
where:
Base-Base interactions energy: -708.494
where: short stacking energy: -292.552
Base-Backbone interact. energy: -0.840
local terms energy: -318.180183
where:
bonds (distance) C4'-P energy: -55.857
bonds (distance) P-C4' energy: -53.323
flat angles C4'-P-C4' energy: -67.124
flat angles P-C4'-P energy: -47.183
tors. eta vs tors. theta energy: -94.693
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: 8
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -965.481798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.481798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.481798 (E_RNA)
where:
Base-Base interactions energy: -664.387
where: short stacking energy: -291.570
Base-Backbone interact. energy: -0.452
local terms energy: -300.642344
where:
bonds (distance) C4'-P energy: -49.943
bonds (distance) P-C4' energy: -58.860
flat angles C4'-P-C4' energy: -61.846
flat angles P-C4'-P energy: -45.962
tors. eta vs tors. theta energy: -84.031
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: 5
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -922.733842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.733842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.733842 (E_RNA)
where:
Base-Base interactions energy: -637.937
where: short stacking energy: -266.702
Base-Backbone interact. energy: -1.101
local terms energy: -283.696153
where:
bonds (distance) C4'-P energy: -51.485
bonds (distance) P-C4' energy: -58.603
flat angles C4'-P-C4' energy: -57.757
flat angles P-C4'-P energy: -38.517
tors. eta vs tors. theta energy: -77.333
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: 4, replica: 7
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -911.476916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.476916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.476916 (E_RNA)
where:
Base-Base interactions energy: -637.300
where: short stacking energy: -268.554
Base-Backbone interact. energy: -0.786
local terms energy: -273.391416
where:
bonds (distance) C4'-P energy: -44.776
bonds (distance) P-C4' energy: -58.885
flat angles C4'-P-C4' energy: -55.545
flat angles P-C4'-P energy: -37.501
tors. eta vs tors. theta energy: -76.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -797.728563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.728563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.728563 (E_RNA)
where:
Base-Base interactions energy: -520.923
where: short stacking energy: -238.378
Base-Backbone interact. energy: -0.381
local terms energy: -276.424091
where:
bonds (distance) C4'-P energy: -51.127
bonds (distance) P-C4' energy: -51.804
flat angles C4'-P-C4' energy: -54.670
flat angles P-C4'-P energy: -40.340
tors. eta vs tors. theta energy: -78.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -765.083382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.083382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.083382 (E_RNA)
where:
Base-Base interactions energy: -504.812
where: short stacking energy: -243.918
Base-Backbone interact. energy: 1.401
local terms energy: -261.672719
where:
bonds (distance) C4'-P energy: -39.121
bonds (distance) P-C4' energy: -52.307
flat angles C4'-P-C4' energy: -68.230
flat angles P-C4'-P energy: -34.443
tors. eta vs tors. theta energy: -67.571
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: 10
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -678.218342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.218342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.218342 (E_RNA)
where:
Base-Base interactions energy: -425.320
where: short stacking energy: -207.987
Base-Backbone interact. energy: -1.208
local terms energy: -251.690577
where:
bonds (distance) C4'-P energy: -51.361
bonds (distance) P-C4' energy: -47.409
flat angles C4'-P-C4' energy: -58.029
flat angles P-C4'-P energy: -35.350
tors. eta vs tors. theta energy: -59.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -513.433742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.433742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.433742 (E_RNA)
where:
Base-Base interactions energy: -299.876
where: short stacking energy: -151.823
Base-Backbone interact. energy: -2.266
local terms energy: -211.292457
where:
bonds (distance) C4'-P energy: -52.716
bonds (distance) P-C4' energy: -46.845
flat angles C4'-P-C4' energy: -43.057
flat angles P-C4'-P energy: -38.952
tors. eta vs tors. theta energy: -29.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -496.547372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.547372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.547372 (E_RNA)
where:
Base-Base interactions energy: -305.487
where: short stacking energy: -135.534
Base-Backbone interact. energy: 2.940
local terms energy: -194.000480
where:
bonds (distance) C4'-P energy: -38.507
bonds (distance) P-C4' energy: -60.362
flat angles C4'-P-C4' energy: -49.731
flat angles P-C4'-P energy: -26.748
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -392.764319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.764319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.764319 (E_RNA)
where:
Base-Base interactions energy: -231.022
where: short stacking energy: -132.370
Base-Backbone interact. energy: -0.354
local terms energy: -161.387411
where:
bonds (distance) C4'-P energy: -29.617
bonds (distance) P-C4' energy: -38.736
flat angles C4'-P-C4' energy: -49.076
flat angles P-C4'-P energy: -24.276
tors. eta vs tors. theta energy: -19.683
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: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1028.804234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.804234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.804234 (E_RNA)
where:
Base-Base interactions energy: -710.329
where: short stacking energy: -299.877
Base-Backbone interact. energy: -1.888
local terms energy: -316.586854
where:
bonds (distance) C4'-P energy: -60.570
bonds (distance) P-C4' energy: -52.454
flat angles C4'-P-C4' energy: -69.931
flat angles P-C4'-P energy: -40.488
tors. eta vs tors. theta energy: -93.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -955.664946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.664946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.664946 (E_RNA)
where:
Base-Base interactions energy: -641.942
where: short stacking energy: -285.327
Base-Backbone interact. energy: -3.580
local terms energy: -310.142235
where:
bonds (distance) C4'-P energy: -58.394
bonds (distance) P-C4' energy: -56.918
flat angles C4'-P-C4' energy: -61.106
flat angles P-C4'-P energy: -47.542
tors. eta vs tors. theta energy: -86.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -933.203254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.203254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.203254 (E_RNA)
where:
Base-Base interactions energy: -640.574
where: short stacking energy: -277.641
Base-Backbone interact. energy: -1.714
local terms energy: -290.915847
where:
bonds (distance) C4'-P energy: -56.436
bonds (distance) P-C4' energy: -49.307
flat angles C4'-P-C4' energy: -59.820
flat angles P-C4'-P energy: -43.508
tors. eta vs tors. theta energy: -81.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -880.983398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.983398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.983398 (E_RNA)
where:
Base-Base interactions energy: -587.526
where: short stacking energy: -261.213
Base-Backbone interact. energy: -1.134
local terms energy: -292.323413
where:
bonds (distance) C4'-P energy: -57.380
bonds (distance) P-C4' energy: -55.535
flat angles C4'-P-C4' energy: -58.567
flat angles P-C4'-P energy: -42.049
tors. eta vs tors. theta energy: -78.794
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: 2
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -804.957254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.957254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.957254 (E_RNA)
where:
Base-Base interactions energy: -532.458
where: short stacking energy: -241.076
Base-Backbone interact. energy: -1.169
local terms energy: -271.330805
where:
bonds (distance) C4'-P energy: -47.945
bonds (distance) P-C4' energy: -53.449
flat angles C4'-P-C4' energy: -58.349
flat angles P-C4'-P energy: -43.231
tors. eta vs tors. theta energy: -68.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -719.321935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.321935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.321935 (E_RNA)
where:
Base-Base interactions energy: -468.424
where: short stacking energy: -219.229
Base-Backbone interact. energy: -1.870
local terms energy: -249.027791
where:
bonds (distance) C4'-P energy: -51.273
bonds (distance) P-C4' energy: -49.222
flat angles C4'-P-C4' energy: -57.375
flat angles P-C4'-P energy: -31.003
tors. eta vs tors. theta energy: -60.154
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: 10
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -694.399072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.399072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.399072 (E_RNA)
where:
Base-Base interactions energy: -444.339
where: short stacking energy: -203.025
Base-Backbone interact. energy: -1.401
local terms energy: -248.658726
where:
bonds (distance) C4'-P energy: -55.672
bonds (distance) P-C4' energy: -54.083
flat angles C4'-P-C4' energy: -45.040
flat angles P-C4'-P energy: -39.524
tors. eta vs tors. theta energy: -54.340
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: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -532.848276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -532.848276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -532.848276 (E_RNA)
where:
Base-Base interactions energy: -327.369
where: short stacking energy: -171.610
Base-Backbone interact. energy: 0.667
local terms energy: -206.146325
where:
bonds (distance) C4'-P energy: -38.603
bonds (distance) P-C4' energy: -45.915
flat angles C4'-P-C4' energy: -58.366
flat angles P-C4'-P energy: -31.272
tors. eta vs tors. theta energy: -31.990
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: 9, replica: 1
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -512.610590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.610590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.610590 (E_RNA)
where:
Base-Base interactions energy: -295.730
where: short stacking energy: -162.002
Base-Backbone interact. energy: -0.845
local terms energy: -216.035055
where:
bonds (distance) C4'-P energy: -47.548
bonds (distance) P-C4' energy: -45.714
flat angles C4'-P-C4' energy: -42.119
flat angles P-C4'-P energy: -32.772
tors. eta vs tors. theta energy: -47.883
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: 10, replica: 6
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -364.563730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.563730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.563730 (E_RNA)
where:
Base-Base interactions energy: -202.849
where: short stacking energy: -112.957
Base-Backbone interact. energy: -2.553
local terms energy: -159.161672
where:
bonds (distance) C4'-P energy: -47.702
bonds (distance) P-C4' energy: -43.376
flat angles C4'-P-C4' energy: -39.941
flat angles P-C4'-P energy: -24.329
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -1028.364621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.364621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.364621 (E_RNA)
where:
Base-Base interactions energy: -720.510
where: short stacking energy: -297.931
Base-Backbone interact. energy: -1.160
local terms energy: -306.693876
where:
bonds (distance) C4'-P energy: -54.359
bonds (distance) P-C4' energy: -55.776
flat angles C4'-P-C4' energy: -63.558
flat angles P-C4'-P energy: -44.074
tors. eta vs tors. theta energy: -88.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -952.312588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.312588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.312588 (E_RNA)
where:
Base-Base interactions energy: -648.557
where: short stacking energy: -280.044
Base-Backbone interact. energy: -0.562
local terms energy: -303.193329
where:
bonds (distance) C4'-P energy: -58.351
bonds (distance) P-C4' energy: -60.546
flat angles C4'-P-C4' energy: -59.159
flat angles P-C4'-P energy: -46.546
tors. eta vs tors. theta energy: -78.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -906.197131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.197131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.197131 (E_RNA)
where:
Base-Base interactions energy: -620.297
where: short stacking energy: -272.989
Base-Backbone interact. energy: -0.938
local terms energy: -284.962251
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -57.605
flat angles C4'-P-C4' energy: -62.213
flat angles P-C4'-P energy: -40.747
tors. eta vs tors. theta energy: -76.806
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: 5
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -888.539673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.539673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.539673 (E_RNA)
where:
Base-Base interactions energy: -604.909
where: short stacking energy: -270.783
Base-Backbone interact. energy: -2.121
local terms energy: -281.509675
where:
bonds (distance) C4'-P energy: -56.505
bonds (distance) P-C4' energy: -51.440
flat angles C4'-P-C4' energy: -59.297
flat angles P-C4'-P energy: -38.007
tors. eta vs tors. theta energy: -76.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -852.622882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.622882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.622882 (E_RNA)
where:
Base-Base interactions energy: -573.193
where: short stacking energy: -263.238
Base-Backbone interact. energy: -1.461
local terms energy: -277.969003
where:
bonds (distance) C4'-P energy: -42.223
bonds (distance) P-C4' energy: -60.386
flat angles C4'-P-C4' energy: -61.183
flat angles P-C4'-P energy: -39.792
tors. eta vs tors. theta energy: -74.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -714.638903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.638903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.638903 (E_RNA)
where:
Base-Base interactions energy: -487.432
where: short stacking energy: -227.151
Base-Backbone interact. energy: -0.580
local terms energy: -226.627173
where:
bonds (distance) C4'-P energy: -34.040
bonds (distance) P-C4' energy: -59.000
flat angles C4'-P-C4' energy: -41.608
flat angles P-C4'-P energy: -29.636
tors. eta vs tors. theta energy: -62.344
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: 10
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -683.314827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.314827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.314827 (E_RNA)
where:
Base-Base interactions energy: -451.316
where: short stacking energy: -211.041
Base-Backbone interact. energy: 0.313
local terms energy: -232.312501
where:
bonds (distance) C4'-P energy: -49.185
bonds (distance) P-C4' energy: -44.952
flat angles C4'-P-C4' energy: -45.535
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: -57.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -526.132164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.132164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.132164 (E_RNA)
where:
Base-Base interactions energy: -313.172
where: short stacking energy: -145.192
Base-Backbone interact. energy: -0.870
local terms energy: -212.090636
where:
bonds (distance) C4'-P energy: -48.157
bonds (distance) P-C4' energy: -60.740
flat angles C4'-P-C4' energy: -53.846
flat angles P-C4'-P energy: -26.501
tors. eta vs tors. theta energy: -22.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -446.449441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.449441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.449441 (E_RNA)
where:
Base-Base interactions energy: -254.757
where: short stacking energy: -130.761
Base-Backbone interact. energy: -2.046
local terms energy: -189.646313
where:
bonds (distance) C4'-P energy: -41.752
bonds (distance) P-C4' energy: -43.430
flat angles C4'-P-C4' energy: -52.104
flat angles P-C4'-P energy: -32.778
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -410.377757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -410.377757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -410.377757 (E_RNA)
where:
Base-Base interactions energy: -234.337
where: short stacking energy: -117.706
Base-Backbone interact. energy: -0.761
local terms energy: -175.279321
where:
bonds (distance) C4'-P energy: -48.886
bonds (distance) P-C4' energy: -52.888
flat angles C4'-P-C4' energy: -27.644
flat angles P-C4'-P energy: -28.781
tors. eta vs tors. theta energy: -17.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1024.237144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.237144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.237144 (E_RNA)
where:
Base-Base interactions energy: -705.715
where: short stacking energy: -305.247
Base-Backbone interact. energy: -1.153
local terms energy: -317.369131
where:
bonds (distance) C4'-P energy: -58.324
bonds (distance) P-C4' energy: -64.778
flat angles C4'-P-C4' energy: -63.308
flat angles P-C4'-P energy: -41.113
tors. eta vs tors. theta energy: -89.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -948.859831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.859831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.859831 (E_RNA)
where:
Base-Base interactions energy: -653.802
where: short stacking energy: -288.170
Base-Backbone interact. energy: 2.365
local terms energy: -297.422733
where:
bonds (distance) C4'-P energy: -44.378
bonds (distance) P-C4' energy: -59.648
flat angles C4'-P-C4' energy: -60.456
flat angles P-C4'-P energy: -46.998
tors. eta vs tors. theta energy: -85.942
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: 221
Temperature: 1.000000
Total energy: -903.255589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.255589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.255589 (E_RNA)
where:
Base-Base interactions energy: -622.616
where: short stacking energy: -272.122
Base-Backbone interact. energy: 1.913
local terms energy: -282.552542
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -53.873
flat angles C4'-P-C4' energy: -64.887
flat angles P-C4'-P energy: -48.364
tors. eta vs tors. theta energy: -74.042
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: 4, replica: 5
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -906.382618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.382618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.382618 (E_RNA)
where:
Base-Base interactions energy: -615.229
where: short stacking energy: -267.041
Base-Backbone interact. energy: 0.137
local terms energy: -291.290510
where:
bonds (distance) C4'-P energy: -52.380
bonds (distance) P-C4' energy: -53.191
flat angles C4'-P-C4' energy: -54.910
flat angles P-C4'-P energy: -44.945
tors. eta vs tors. theta energy: -85.866
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: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -826.509780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.509780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.509780 (E_RNA)
where:
Base-Base interactions energy: -543.946
where: short stacking energy: -247.023
Base-Backbone interact. energy: 1.564
local terms energy: -284.128103
where:
bonds (distance) C4'-P energy: -54.594
bonds (distance) P-C4' energy: -51.530
flat angles C4'-P-C4' energy: -64.362
flat angles P-C4'-P energy: -42.783
tors. eta vs tors. theta energy: -70.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -763.286111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.286111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.286111 (E_RNA)
where:
Base-Base interactions energy: -515.824
where: short stacking energy: -220.253
Base-Backbone interact. energy: -0.716
local terms energy: -246.746134
where:
bonds (distance) C4'-P energy: -49.723
bonds (distance) P-C4' energy: -45.192
flat angles C4'-P-C4' energy: -55.480
flat angles P-C4'-P energy: -31.195
tors. eta vs tors. theta energy: -65.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -668.707517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.707517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.707517 (E_RNA)
where:
Base-Base interactions energy: -445.662
where: short stacking energy: -182.276
Base-Backbone interact. energy: -0.855
local terms energy: -222.189938
where:
bonds (distance) C4'-P energy: -30.848
bonds (distance) P-C4' energy: -44.524
flat angles C4'-P-C4' energy: -64.147
flat angles P-C4'-P energy: -35.789
tors. eta vs tors. theta energy: -46.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -467.619798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.619798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.619798 (E_RNA)
where:
Base-Base interactions energy: -275.491
where: short stacking energy: -138.442
Base-Backbone interact. energy: 2.602
local terms energy: -194.731181
where:
bonds (distance) C4'-P energy: -35.424
bonds (distance) P-C4' energy: -49.000
flat angles C4'-P-C4' energy: -63.690
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -31.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -503.975744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.975744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.975744 (E_RNA)
where:
Base-Base interactions energy: -300.987
where: short stacking energy: -147.285
Base-Backbone interact. energy: -1.056
local terms energy: -201.932760
where:
bonds (distance) C4'-P energy: -43.292
bonds (distance) P-C4' energy: -42.455
flat angles C4'-P-C4' energy: -62.383
flat angles P-C4'-P energy: -27.229
tors. eta vs tors. theta energy: -26.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -418.573678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.573678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.573678 (E_RNA)
where:
Base-Base interactions energy: -224.675
where: short stacking energy: -113.880
Base-Backbone interact. energy: 0.524
local terms energy: -194.423515
where:
bonds (distance) C4'-P energy: -39.155
bonds (distance) P-C4' energy: -56.556
flat angles C4'-P-C4' energy: -54.809
flat angles P-C4'-P energy: -31.587
tors. eta vs tors. theta energy: -12.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1034.203758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.203758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.203758 (E_RNA)
where:
Base-Base interactions energy: -716.583
where: short stacking energy: -296.162
Base-Backbone interact. energy: -0.396
local terms energy: -317.224830
where:
bonds (distance) C4'-P energy: -59.538
bonds (distance) P-C4' energy: -64.390
flat angles C4'-P-C4' energy: -67.537
flat angles P-C4'-P energy: -39.825
tors. eta vs tors. theta energy: -85.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -938.956696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.956696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.956696 (E_RNA)
where:
Base-Base interactions energy: -647.761
where: short stacking energy: -290.518
Base-Backbone interact. energy: -0.262
local terms energy: -290.933732
where:
bonds (distance) C4'-P energy: -54.943
bonds (distance) P-C4' energy: -52.154
flat angles C4'-P-C4' energy: -63.709
flat angles P-C4'-P energy: -36.030
tors. eta vs tors. theta energy: -84.098
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: 5
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -912.068861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.068861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.068861 (E_RNA)
where:
Base-Base interactions energy: -637.250
where: short stacking energy: -277.679
Base-Backbone interact. energy: -1.194
local terms energy: -273.624920
where:
bonds (distance) C4'-P energy: -50.937
bonds (distance) P-C4' energy: -53.006
flat angles C4'-P-C4' energy: -57.041
flat angles P-C4'-P energy: -35.357
tors. eta vs tors. theta energy: -77.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -892.102682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.102682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.102682 (E_RNA)
where:
Base-Base interactions energy: -593.768
where: short stacking energy: -252.759
Base-Backbone interact. energy: 1.903
local terms energy: -300.237885
where:
bonds (distance) C4'-P energy: -51.960
bonds (distance) P-C4' energy: -56.624
flat angles C4'-P-C4' energy: -67.577
flat angles P-C4'-P energy: -44.480
tors. eta vs tors. theta energy: -79.598
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: 5, replica: 2
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -813.438967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.438967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.438967 (E_RNA)
where:
Base-Base interactions energy: -537.934
where: short stacking energy: -242.238
Base-Backbone interact. energy: -2.128
local terms energy: -273.376503
where:
bonds (distance) C4'-P energy: -48.492
bonds (distance) P-C4' energy: -55.447
flat angles C4'-P-C4' energy: -56.724
flat angles P-C4'-P energy: -39.325
tors. eta vs tors. theta energy: -73.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -762.531345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.531345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.531345 (E_RNA)
where:
Base-Base interactions energy: -508.529
where: short stacking energy: -219.768
Base-Backbone interact. energy: -0.885
local terms energy: -253.117184
where:
bonds (distance) C4'-P energy: -50.893
bonds (distance) P-C4' energy: -49.328
flat angles C4'-P-C4' energy: -52.365
flat angles P-C4'-P energy: -40.087
tors. eta vs tors. theta energy: -60.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -691.454010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.454010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.454010 (E_RNA)
where:
Base-Base interactions energy: -457.634
where: short stacking energy: -201.117
Base-Backbone interact. energy: 0.634
local terms energy: -234.453920
where:
bonds (distance) C4'-P energy: -46.639
bonds (distance) P-C4' energy: -54.473
flat angles C4'-P-C4' energy: -55.982
flat angles P-C4'-P energy: -20.546
tors. eta vs tors. theta energy: -56.813
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: 1
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -482.712893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.712893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.712893 (E_RNA)
where:
Base-Base interactions energy: -287.066
where: short stacking energy: -131.206
Base-Backbone interact. energy: -0.374
local terms energy: -195.273163
where:
bonds (distance) C4'-P energy: -44.682
bonds (distance) P-C4' energy: -47.516
flat angles C4'-P-C4' energy: -46.259
flat angles P-C4'-P energy: -31.562
tors. eta vs tors. theta energy: -25.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -412.951422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -412.951422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -412.951422 (E_RNA)
where:
Base-Base interactions energy: -243.718
where: short stacking energy: -106.537
Base-Backbone interact. energy: -0.889
local terms energy: -168.344918
where:
bonds (distance) C4'-P energy: -37.853
bonds (distance) P-C4' energy: -55.549
flat angles C4'-P-C4' energy: -44.691
flat angles P-C4'-P energy: -18.041
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: 9
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -397.226715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -397.226715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -397.226715 (E_RNA)
where:
Base-Base interactions energy: -234.709
where: short stacking energy: -119.533
Base-Backbone interact. energy: 5.097
local terms energy: -167.614985
where:
bonds (distance) C4'-P energy: -45.215
bonds (distance) P-C4' energy: -46.197
flat angles C4'-P-C4' energy: -46.386
flat angles P-C4'-P energy: -22.976
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1036.248742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.248742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.248742 (E_RNA)
where:
Base-Base interactions energy: -723.749
where: short stacking energy: -298.026
Base-Backbone interact. energy: -0.713
local terms energy: -311.786471
where:
bonds (distance) C4'-P energy: -55.094
bonds (distance) P-C4' energy: -58.077
flat angles C4'-P-C4' energy: -64.497
flat angles P-C4'-P energy: -46.519
tors. eta vs tors. theta energy: -87.600
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: 5
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -945.804020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.804020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.804020 (E_RNA)
where:
Base-Base interactions energy: -635.805
where: short stacking energy: -284.707
Base-Backbone interact. energy: -0.997
local terms energy: -309.001629
where:
bonds (distance) C4'-P energy: -51.396
bonds (distance) P-C4' energy: -55.199
flat angles C4'-P-C4' energy: -69.933
flat angles P-C4'-P energy: -42.239
tors. eta vs tors. theta energy: -90.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -920.961348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.961348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.961348 (E_RNA)
where:
Base-Base interactions energy: -644.207
where: short stacking energy: -276.757
Base-Backbone interact. energy: -0.282
local terms energy: -276.472636
where:
bonds (distance) C4'-P energy: -41.802
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -66.239
flat angles P-C4'-P energy: -42.868
tors. eta vs tors. theta energy: -75.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -912.741797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.741797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.741797 (E_RNA)
where:
Base-Base interactions energy: -631.524
where: short stacking energy: -266.929
Base-Backbone interact. energy: -0.422
local terms energy: -280.796231
where:
bonds (distance) C4'-P energy: -53.622
bonds (distance) P-C4' energy: -53.785
flat angles C4'-P-C4' energy: -64.162
flat angles P-C4'-P energy: -34.014
tors. eta vs tors. theta energy: -75.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -826.813015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.813015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.813015 (E_RNA)
where:
Base-Base interactions energy: -551.538
where: short stacking energy: -258.373
Base-Backbone interact. energy: -1.796
local terms energy: -273.478552
where:
bonds (distance) C4'-P energy: -44.746
bonds (distance) P-C4' energy: -55.479
flat angles C4'-P-C4' energy: -59.032
flat angles P-C4'-P energy: -34.694
tors. eta vs tors. theta energy: -79.527
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: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -737.789028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.789028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.789028 (E_RNA)
where:
Base-Base interactions energy: -495.093
where: short stacking energy: -218.370
Base-Backbone interact. energy: -0.257
local terms energy: -242.438476
where:
bonds (distance) C4'-P energy: -47.960
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -51.607
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: 10
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -709.322458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.322458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.322458 (E_RNA)
where:
Base-Base interactions energy: -466.736
where: short stacking energy: -197.485
Base-Backbone interact. energy: -1.347
local terms energy: -241.239327
where:
bonds (distance) C4'-P energy: -55.631
bonds (distance) P-C4' energy: -50.323
flat angles C4'-P-C4' energy: -58.555
flat angles P-C4'-P energy: -24.651
tors. eta vs tors. theta energy: -52.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -492.767772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.767772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.767772 (E_RNA)
where:
Base-Base interactions energy: -304.503
where: short stacking energy: -160.659
Base-Backbone interact. energy: 1.152
local terms energy: -189.416492
where:
bonds (distance) C4'-P energy: -34.117
bonds (distance) P-C4' energy: -41.139
flat angles C4'-P-C4' energy: -40.800
flat angles P-C4'-P energy: -38.413
tors. eta vs tors. theta energy: -34.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -414.325732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -414.325732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -414.325732 (E_RNA)
where:
Base-Base interactions energy: -241.127
where: short stacking energy: -123.366
Base-Backbone interact. energy: -0.812
local terms energy: -172.386644
where:
bonds (distance) C4'-P energy: -46.861
bonds (distance) P-C4' energy: -38.669
flat angles C4'-P-C4' energy: -46.528
flat angles P-C4'-P energy: -24.063
tors. eta vs tors. theta energy: -16.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -426.621697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.621697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.621697 (E_RNA)
where:
Base-Base interactions energy: -250.763
where: short stacking energy: -117.418
Base-Backbone interact. energy: -1.437
local terms energy: -174.421826
where:
bonds (distance) C4'-P energy: -37.650
bonds (distance) P-C4' energy: -54.875
flat angles C4'-P-C4' energy: -37.749
flat angles P-C4'-P energy: -28.104
tors. eta vs tors. theta energy: -16.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1018.973409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.973409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.973409 (E_RNA)
where:
Base-Base interactions energy: -711.674
where: short stacking energy: -293.785
Base-Backbone interact. energy: 1.887
local terms energy: -309.186328
where:
bonds (distance) C4'-P energy: -58.262
bonds (distance) P-C4' energy: -57.994
flat angles C4'-P-C4' energy: -64.808
flat angles P-C4'-P energy: -43.411
tors. eta vs tors. theta energy: -84.712
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: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -935.006962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.006962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.006962 (E_RNA)
where:
Base-Base interactions energy: -656.840
where: short stacking energy: -286.887
Base-Backbone interact. energy: -0.521
local terms energy: -277.646384
where:
bonds (distance) C4'-P energy: -42.515
bonds (distance) P-C4' energy: -45.713
flat angles C4'-P-C4' energy: -61.015
flat angles P-C4'-P energy: -43.100
tors. eta vs tors. theta energy: -85.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -919.964942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.964942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.964942 (E_RNA)
where:
Base-Base interactions energy: -637.661
where: short stacking energy: -284.837
Base-Backbone interact. energy: -0.329
local terms energy: -281.975289
where:
bonds (distance) C4'-P energy: -53.768
bonds (distance) P-C4' energy: -48.961
flat angles C4'-P-C4' energy: -56.779
flat angles P-C4'-P energy: -37.051
tors. eta vs tors. theta energy: -85.417
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: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -904.024862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.024862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.024862 (E_RNA)
where:
Base-Base interactions energy: -619.621
where: short stacking energy: -275.512
Base-Backbone interact. energy: -0.874
local terms energy: -283.529602
where:
bonds (distance) C4'-P energy: -52.878
bonds (distance) P-C4' energy: -47.384
flat angles C4'-P-C4' energy: -53.556
flat angles P-C4'-P energy: -41.775
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: 5, replica: 2
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -825.175968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.175968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.175968 (E_RNA)
where:
Base-Base interactions energy: -570.052
where: short stacking energy: -255.626
Base-Backbone interact. energy: -1.293
local terms energy: -253.831013
where:
bonds (distance) C4'-P energy: -32.414
bonds (distance) P-C4' energy: -53.578
flat angles C4'-P-C4' energy: -59.120
flat angles P-C4'-P energy: -40.042
tors. eta vs tors. theta energy: -68.677
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: 6, replica: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -752.049242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.049242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.049242 (E_RNA)
where:
Base-Base interactions energy: -498.818
where: short stacking energy: -216.344
Base-Backbone interact. energy: -0.597
local terms energy: -252.633554
where:
bonds (distance) C4'-P energy: -41.147
bonds (distance) P-C4' energy: -55.163
flat angles C4'-P-C4' energy: -62.186
flat angles P-C4'-P energy: -35.337
tors. eta vs tors. theta energy: -58.800
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: 10
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -663.696245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.696245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.696245 (E_RNA)
where:
Base-Base interactions energy: -433.262
where: short stacking energy: -176.556
Base-Backbone interact. energy: -0.470
local terms energy: -229.964420
where:
bonds (distance) C4'-P energy: -57.576
bonds (distance) P-C4' energy: -41.847
flat angles C4'-P-C4' energy: -53.301
flat angles P-C4'-P energy: -40.677
tors. eta vs tors. theta energy: -36.564
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: 1
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -502.396303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.396303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.396303 (E_RNA)
where:
Base-Base interactions energy: -289.640
where: short stacking energy: -151.728
Base-Backbone interact. energy: 0.401
local terms energy: -213.157992
where:
bonds (distance) C4'-P energy: -48.816
bonds (distance) P-C4' energy: -52.109
flat angles C4'-P-C4' energy: -41.763
flat angles P-C4'-P energy: -34.450
tors. eta vs tors. theta energy: -36.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -461.653814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.653814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.653814 (E_RNA)
where:
Base-Base interactions energy: -287.615
where: short stacking energy: -128.397
Base-Backbone interact. energy: -0.734
local terms energy: -173.304251
where:
bonds (distance) C4'-P energy: -36.498
bonds (distance) P-C4' energy: -57.819
flat angles C4'-P-C4' energy: -49.713
flat angles P-C4'-P energy: -19.137
tors. eta vs tors. theta energy: -10.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -424.902308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.902308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.902308 (E_RNA)
where:
Base-Base interactions energy: -234.208
where: short stacking energy: -120.932
Base-Backbone interact. energy: -1.235
local terms energy: -189.460181
where:
bonds (distance) C4'-P energy: -48.003
bonds (distance) P-C4' energy: -53.068
flat angles C4'-P-C4' energy: -38.656
flat angles P-C4'-P energy: -29.231
tors. eta vs tors. theta energy: -20.503
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: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1044.863040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.863040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.863040 (E_RNA)
where:
Base-Base interactions energy: -728.758
where: short stacking energy: -293.628
Base-Backbone interact. energy: -1.238
local terms energy: -314.867010
where:
bonds (distance) C4'-P energy: -62.682
bonds (distance) P-C4' energy: -48.755
flat angles C4'-P-C4' energy: -58.742
flat angles P-C4'-P energy: -54.231
tors. eta vs tors. theta energy: -90.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -962.809289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.809289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.809289 (E_RNA)
where:
Base-Base interactions energy: -665.424
where: short stacking energy: -288.334
Base-Backbone interact. energy: -0.505
local terms energy: -296.880946
where:
bonds (distance) C4'-P energy: -57.350
bonds (distance) P-C4' energy: -46.972
flat angles C4'-P-C4' energy: -58.807
flat angles P-C4'-P energy: -45.049
tors. eta vs tors. theta energy: -88.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -925.732868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.732868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.732868 (E_RNA)
where:
Base-Base interactions energy: -647.230
where: short stacking energy: -270.795
Base-Backbone interact. energy: -0.787
local terms energy: -277.716543
where:
bonds (distance) C4'-P energy: -51.759
bonds (distance) P-C4' energy: -45.279
flat angles C4'-P-C4' energy: -58.232
flat angles P-C4'-P energy: -42.590
tors. eta vs tors. theta energy: -79.856
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: 8
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -912.584607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.584607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.584607 (E_RNA)
where:
Base-Base interactions energy: -620.081
where: short stacking energy: -276.896
Base-Backbone interact. energy: -0.410
local terms energy: -292.093686
where:
bonds (distance) C4'-P energy: -53.391
bonds (distance) P-C4' energy: -53.608
flat angles C4'-P-C4' energy: -62.011
flat angles P-C4'-P energy: -39.081
tors. eta vs tors. theta energy: -84.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -817.835400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.835400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.835400 (E_RNA)
where:
Base-Base interactions energy: -550.171
where: short stacking energy: -234.719
Base-Backbone interact. energy: 1.091
local terms energy: -268.755651
where:
bonds (distance) C4'-P energy: -47.541
bonds (distance) P-C4' energy: -52.805
flat angles C4'-P-C4' energy: -63.219
flat angles P-C4'-P energy: -34.170
tors. eta vs tors. theta energy: -71.021
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: 225
Temperature: 1.150000
Total energy: -727.288724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.288724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.288724 (E_RNA)
where:
Base-Base interactions energy: -480.883
where: short stacking energy: -212.358
Base-Backbone interact. energy: -0.579
local terms energy: -245.826980
where:
bonds (distance) C4'-P energy: -59.705
bonds (distance) P-C4' energy: -49.722
flat angles C4'-P-C4' energy: -50.713
flat angles P-C4'-P energy: -36.876
tors. eta vs tors. theta energy: -48.811
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: 10
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -696.540559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.540559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.540559 (E_RNA)
where:
Base-Base interactions energy: -483.213
where: short stacking energy: -204.589
Base-Backbone interact. energy: -0.899
local terms energy: -212.428440
where:
bonds (distance) C4'-P energy: -36.384
bonds (distance) P-C4' energy: -42.948
flat angles C4'-P-C4' energy: -56.034
flat angles P-C4'-P energy: -34.890
tors. eta vs tors. theta energy: -42.172
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: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -473.435164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.435164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.435164 (E_RNA)
where:
Base-Base interactions energy: -284.601
where: short stacking energy: -110.297
Base-Backbone interact. energy: -1.792
local terms energy: -187.041710
where:
bonds (distance) C4'-P energy: -44.644
bonds (distance) P-C4' energy: -46.610
flat angles C4'-P-C4' energy: -47.924
flat angles P-C4'-P energy: -30.925
tors. eta vs tors. theta energy: -16.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -452.078245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.078245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.078245 (E_RNA)
where:
Base-Base interactions energy: -257.313
where: short stacking energy: -130.418
Base-Backbone interact. energy: -0.056
local terms energy: -194.709781
where:
bonds (distance) C4'-P energy: -48.490
bonds (distance) P-C4' energy: -44.720
flat angles C4'-P-C4' energy: -43.272
flat angles P-C4'-P energy: -31.703
tors. eta vs tors. theta energy: -26.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -436.422919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.422919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.422919 (E_RNA)
where:
Base-Base interactions energy: -257.877
where: short stacking energy: -134.826
Base-Backbone interact. energy: -1.858
local terms energy: -176.687443
where:
bonds (distance) C4'-P energy: -50.416
bonds (distance) P-C4' energy: -34.797
flat angles C4'-P-C4' energy: -35.417
flat angles P-C4'-P energy: -32.479
tors. eta vs tors. theta energy: -23.579
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: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1028.598183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.598183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.598183 (E_RNA)
where:
Base-Base interactions energy: -714.994
where: short stacking energy: -297.833
Base-Backbone interact. energy: -1.380
local terms energy: -312.224466
where:
bonds (distance) C4'-P energy: -60.815
bonds (distance) P-C4' energy: -49.691
flat angles C4'-P-C4' energy: -67.177
flat angles P-C4'-P energy: -47.877
tors. eta vs tors. theta energy: -86.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -971.809790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.809790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.809790 (E_RNA)
where:
Base-Base interactions energy: -666.097
where: short stacking energy: -274.362
Base-Backbone interact. energy: -0.443
local terms energy: -305.269914
where:
bonds (distance) C4'-P energy: -54.634
bonds (distance) P-C4' energy: -57.033
flat angles C4'-P-C4' energy: -66.590
flat angles P-C4'-P energy: -42.233
tors. eta vs tors. theta energy: -84.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -927.045746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.045746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.045746 (E_RNA)
where:
Base-Base interactions energy: -642.752
where: short stacking energy: -275.190
Base-Backbone interact. energy: -1.209
local terms energy: -283.084667
where:
bonds (distance) C4'-P energy: -53.882
bonds (distance) P-C4' energy: -54.399
flat angles C4'-P-C4' energy: -54.481
flat angles P-C4'-P energy: -38.694
tors. eta vs tors. theta energy: -81.629
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: 8
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -921.470148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.470148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.470148 (E_RNA)
where:
Base-Base interactions energy: -640.128
where: short stacking energy: -282.314
Base-Backbone interact. energy: -0.905
local terms energy: -280.437318
where:
bonds (distance) C4'-P energy: -58.919
bonds (distance) P-C4' energy: -41.929
flat angles C4'-P-C4' energy: -58.747
flat angles P-C4'-P energy: -37.857
tors. eta vs tors. theta energy: -82.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -815.825103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.825103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.825103 (E_RNA)
where:
Base-Base interactions energy: -553.100
where: short stacking energy: -231.402
Base-Backbone interact. energy: -0.003
local terms energy: -262.722311
where:
bonds (distance) C4'-P energy: -43.772
bonds (distance) P-C4' energy: -51.144
flat angles C4'-P-C4' energy: -50.870
flat angles P-C4'-P energy: -44.293
tors. eta vs tors. theta energy: -72.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -708.563567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.563567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.563567 (E_RNA)
where:
Base-Base interactions energy: -471.624
where: short stacking energy: -199.402
Base-Backbone interact. energy: -0.621
local terms energy: -236.318744
where:
bonds (distance) C4'-P energy: -47.867
bonds (distance) P-C4' energy: -52.749
flat angles C4'-P-C4' energy: -53.947
flat angles P-C4'-P energy: -32.010
tors. eta vs tors. theta energy: -49.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -737.558792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.558792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.558792 (E_RNA)
where:
Base-Base interactions energy: -494.385
where: short stacking energy: -211.610
Base-Backbone interact. energy: -2.438
local terms energy: -240.735992
where:
bonds (distance) C4'-P energy: -42.700
bonds (distance) P-C4' energy: -56.165
flat angles C4'-P-C4' energy: -50.624
flat angles P-C4'-P energy: -37.039
tors. eta vs tors. theta energy: -54.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -516.088441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.088441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.088441 (E_RNA)
where:
Base-Base interactions energy: -300.164
where: short stacking energy: -158.136
Base-Backbone interact. energy: -1.355
local terms energy: -214.569268
where:
bonds (distance) C4'-P energy: -51.163
bonds (distance) P-C4' energy: -40.319
flat angles C4'-P-C4' energy: -57.061
flat angles P-C4'-P energy: -37.309
tors. eta vs tors. theta energy: -28.717
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: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -473.314690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.314690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.314690 (E_RNA)
where:
Base-Base interactions energy: -260.651
where: short stacking energy: -129.007
Base-Backbone interact. energy: 0.490
local terms energy: -213.153071
where:
bonds (distance) C4'-P energy: -52.485
bonds (distance) P-C4' energy: -62.290
flat angles C4'-P-C4' energy: -53.488
flat angles P-C4'-P energy: -23.515
tors. eta vs tors. theta energy: -21.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -380.030369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.030369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.030369 (E_RNA)
where:
Base-Base interactions energy: -190.804
where: short stacking energy: -97.646
Base-Backbone interact. energy: -0.217
local terms energy: -189.009231
where:
bonds (distance) C4'-P energy: -55.426
bonds (distance) P-C4' energy: -54.405
flat angles C4'-P-C4' energy: -45.351
flat angles P-C4'-P energy: -18.584
tors. eta vs tors. theta energy: -15.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1027.189672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.189672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.189672 (E_RNA)
where:
Base-Base interactions energy: -714.411
where: short stacking energy: -280.518
Base-Backbone interact. energy: -1.294
local terms energy: -311.484511
where:
bonds (distance) C4'-P energy: -55.813
bonds (distance) P-C4' energy: -60.093
flat angles C4'-P-C4' energy: -57.775
flat angles P-C4'-P energy: -51.889
tors. eta vs tors. theta energy: -85.914
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: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -969.809559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.809559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.809559 (E_RNA)
where:
Base-Base interactions energy: -664.717
where: short stacking energy: -296.217
Base-Backbone interact. energy: 0.400
local terms energy: -305.493121
where:
bonds (distance) C4'-P energy: -45.816
bonds (distance) P-C4' energy: -61.057
flat angles C4'-P-C4' energy: -61.553
flat angles P-C4'-P energy: -50.426
tors. eta vs tors. theta energy: -86.641
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: 3, replica: 5
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -908.170629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.170629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.170629 (E_RNA)
where:
Base-Base interactions energy: -612.581
where: short stacking energy: -263.224
Base-Backbone interact. energy: 1.101
local terms energy: -296.691087
where:
bonds (distance) C4'-P energy: -55.406
bonds (distance) P-C4' energy: -52.618
flat angles C4'-P-C4' energy: -63.706
flat angles P-C4'-P energy: -46.508
tors. eta vs tors. theta energy: -78.453
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: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -877.602305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.602305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.602305 (E_RNA)
where:
Base-Base interactions energy: -605.581
where: short stacking energy: -275.674
Base-Backbone interact. energy: -1.735
local terms energy: -270.286204
where:
bonds (distance) C4'-P energy: -58.041
bonds (distance) P-C4' energy: -46.913
flat angles C4'-P-C4' energy: -58.647
flat angles P-C4'-P energy: -34.955
tors. eta vs tors. theta energy: -71.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -858.558945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.558945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.558945 (E_RNA)
where:
Base-Base interactions energy: -589.999
where: short stacking energy: -281.163
Base-Backbone interact. energy: -1.028
local terms energy: -267.532069
where:
bonds (distance) C4'-P energy: -48.800
bonds (distance) P-C4' energy: -46.334
flat angles C4'-P-C4' energy: -56.386
flat angles P-C4'-P energy: -36.207
tors. eta vs tors. theta energy: -79.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -739.829982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.829982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.829982 (E_RNA)
where:
Base-Base interactions energy: -495.719
where: short stacking energy: -223.830
Base-Backbone interact. energy: -1.222
local terms energy: -242.889405
where:
bonds (distance) C4'-P energy: -37.085
bonds (distance) P-C4' energy: -44.123
flat angles C4'-P-C4' energy: -58.028
flat angles P-C4'-P energy: -39.213
tors. eta vs tors. theta energy: -64.441
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: 7, replica: 3
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -688.472536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.472536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.472536 (E_RNA)
where:
Base-Base interactions energy: -462.403
where: short stacking energy: -192.636
Base-Backbone interact. energy: -1.232
local terms energy: -224.838339
where:
bonds (distance) C4'-P energy: -41.424
bonds (distance) P-C4' energy: -60.879
flat angles C4'-P-C4' energy: -50.822
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: -37.863
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: 6
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -491.078655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.078655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.078655 (E_RNA)
where:
Base-Base interactions energy: -288.542
where: short stacking energy: -149.450
Base-Backbone interact. energy: -0.660
local terms energy: -201.876288
where:
bonds (distance) C4'-P energy: -47.339
bonds (distance) P-C4' energy: -50.744
flat angles C4'-P-C4' energy: -41.740
flat angles P-C4'-P energy: -34.804
tors. eta vs tors. theta energy: -27.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -465.578420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.578420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.578420 (E_RNA)
where:
Base-Base interactions energy: -275.415
where: short stacking energy: -135.660
Base-Backbone interact. energy: 0.333
local terms energy: -190.496682
where:
bonds (distance) C4'-P energy: -37.936
bonds (distance) P-C4' energy: -52.924
flat angles C4'-P-C4' energy: -36.580
flat angles P-C4'-P energy: -38.382
tors. eta vs tors. theta energy: -24.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -373.612236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.612236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.612236 (E_RNA)
where:
Base-Base interactions energy: -201.262
where: short stacking energy: -102.597
Base-Backbone interact. energy: 0.127
local terms energy: -172.477774
where:
bonds (distance) C4'-P energy: -55.684
bonds (distance) P-C4' energy: -44.508
flat angles C4'-P-C4' energy: -33.160
flat angles P-C4'-P energy: -20.895
tors. eta vs tors. theta energy: -18.231
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: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1020.142275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.142275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.142275 (E_RNA)
where:
Base-Base interactions energy: -719.430
where: short stacking energy: -293.956
Base-Backbone interact. energy: 0.135
local terms energy: -300.847254
where:
bonds (distance) C4'-P energy: -56.525
bonds (distance) P-C4' energy: -58.859
flat angles C4'-P-C4' energy: -56.224
flat angles P-C4'-P energy: -40.851
tors. eta vs tors. theta energy: -88.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -964.561048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.561048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.561048 (E_RNA)
where:
Base-Base interactions energy: -669.244
where: short stacking energy: -279.623
Base-Backbone interact. energy: -1.221
local terms energy: -294.095309
where:
bonds (distance) C4'-P energy: -54.327
bonds (distance) P-C4' energy: -57.949
flat angles C4'-P-C4' energy: -66.518
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -80.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -920.456913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.456913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.456913 (E_RNA)
where:
Base-Base interactions energy: -646.527
where: short stacking energy: -273.494
Base-Backbone interact. energy: -0.798
local terms energy: -273.131822
where:
bonds (distance) C4'-P energy: -45.852
bonds (distance) P-C4' energy: -51.995
flat angles C4'-P-C4' energy: -53.264
flat angles P-C4'-P energy: -38.879
tors. eta vs tors. theta energy: -83.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -912.692098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.692098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.692098 (E_RNA)
where:
Base-Base interactions energy: -634.791
where: short stacking energy: -270.030
Base-Backbone interact. energy: -0.927
local terms energy: -276.974099
where:
bonds (distance) C4'-P energy: -59.327
bonds (distance) P-C4' energy: -48.617
flat angles C4'-P-C4' energy: -58.438
flat angles P-C4'-P energy: -36.873
tors. eta vs tors. theta energy: -73.719
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: 2
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -839.528853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.528853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.528853 (E_RNA)
where:
Base-Base interactions energy: -561.984
where: short stacking energy: -251.078
Base-Backbone interact. energy: -1.554
local terms energy: -275.990014
where:
bonds (distance) C4'-P energy: -46.620
bonds (distance) P-C4' energy: -59.909
flat angles C4'-P-C4' energy: -56.684
flat angles P-C4'-P energy: -39.248
tors. eta vs tors. theta energy: -73.529
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: 10
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -732.807175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.807175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.807175 (E_RNA)
where:
Base-Base interactions energy: -505.211
where: short stacking energy: -232.060
Base-Backbone interact. energy: 0.580
local terms energy: -228.176599
where:
bonds (distance) C4'-P energy: -44.200
bonds (distance) P-C4' energy: -51.121
flat angles C4'-P-C4' energy: -49.892
flat angles P-C4'-P energy: -30.963
tors. eta vs tors. theta energy: -52.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -728.043672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.043672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.043672 (E_RNA)
where:
Base-Base interactions energy: -477.631
where: short stacking energy: -210.464
Base-Backbone interact. energy: -1.192
local terms energy: -249.221232
where:
bonds (distance) C4'-P energy: -47.542
bonds (distance) P-C4' energy: -48.839
flat angles C4'-P-C4' energy: -61.212
flat angles P-C4'-P energy: -43.045
tors. eta vs tors. theta energy: -48.582
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: 6
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -483.475828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.475828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.475828 (E_RNA)
where:
Base-Base interactions energy: -286.985
where: short stacking energy: -158.284
Base-Backbone interact. energy: -0.461
local terms energy: -196.030229
where:
bonds (distance) C4'-P energy: -46.514
bonds (distance) P-C4' energy: -46.332
flat angles C4'-P-C4' energy: -48.337
flat angles P-C4'-P energy: -26.428
tors. eta vs tors. theta energy: -28.419
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: 1
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -460.524409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.524409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.524409 (E_RNA)
where:
Base-Base interactions energy: -290.907
where: short stacking energy: -150.114
Base-Backbone interact. energy: 3.850
local terms energy: -173.467382
where:
bonds (distance) C4'-P energy: -41.210
bonds (distance) P-C4' energy: -46.915
flat angles C4'-P-C4' energy: -33.550
flat angles P-C4'-P energy: -25.264
tors. eta vs tors. theta energy: -26.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -442.221046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.221046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.221046 (E_RNA)
where:
Base-Base interactions energy: -273.331
where: short stacking energy: -133.118
Base-Backbone interact. energy: -1.580
local terms energy: -167.310238
where:
bonds (distance) C4'-P energy: -31.756
bonds (distance) P-C4' energy: -54.395
flat angles C4'-P-C4' energy: -34.354
flat angles P-C4'-P energy: -24.705
tors. eta vs tors. theta energy: -22.100
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: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1021.296914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.296914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.296914 (E_RNA)
where:
Base-Base interactions energy: -707.715
where: short stacking energy: -297.621
Base-Backbone interact. energy: -1.129
local terms energy: -312.452715
where:
bonds (distance) C4'-P energy: -53.773
bonds (distance) P-C4' energy: -54.248
flat angles C4'-P-C4' energy: -65.355
flat angles P-C4'-P energy: -47.600
tors. eta vs tors. theta energy: -91.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -960.097082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.097082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.097082 (E_RNA)
where:
Base-Base interactions energy: -650.571
where: short stacking energy: -284.084
Base-Backbone interact. energy: -1.016
local terms energy: -308.510116
where:
bonds (distance) C4'-P energy: -48.875
bonds (distance) P-C4' energy: -59.245
flat angles C4'-P-C4' energy: -67.764
flat angles P-C4'-P energy: -47.252
tors. eta vs tors. theta energy: -85.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -904.679371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.679371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.679371 (E_RNA)
where:
Base-Base interactions energy: -613.888
where: short stacking energy: -272.947
Base-Backbone interact. energy: -3.213
local terms energy: -287.578194
where:
bonds (distance) C4'-P energy: -47.598
bonds (distance) P-C4' energy: -60.599
flat angles C4'-P-C4' energy: -57.639
flat angles P-C4'-P energy: -40.541
tors. eta vs tors. theta energy: -81.201
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: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -901.528309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.528309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.528309 (E_RNA)
where:
Base-Base interactions energy: -602.959
where: short stacking energy: -282.809
Base-Backbone interact. energy: -0.972
local terms energy: -297.596852
where:
bonds (distance) C4'-P energy: -59.577
bonds (distance) P-C4' energy: -53.968
flat angles C4'-P-C4' energy: -63.830
flat angles P-C4'-P energy: -38.591
tors. eta vs tors. theta energy: -81.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -845.291078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.291078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.291078 (E_RNA)
where:
Base-Base interactions energy: -560.719
where: short stacking energy: -231.238
Base-Backbone interact. energy: -1.357
local terms energy: -283.215491
where:
bonds (distance) C4'-P energy: -54.358
bonds (distance) P-C4' energy: -49.344
flat angles C4'-P-C4' energy: -54.924
flat angles P-C4'-P energy: -48.904
tors. eta vs tors. theta energy: -75.686
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: 10
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -758.119131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.119131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.119131 (E_RNA)
where:
Base-Base interactions energy: -501.066
where: short stacking energy: -211.466
Base-Backbone interact. energy: -3.025
local terms energy: -254.028481
where:
bonds (distance) C4'-P energy: -56.704
bonds (distance) P-C4' energy: -46.873
flat angles C4'-P-C4' energy: -59.523
flat angles P-C4'-P energy: -32.915
tors. eta vs tors. theta energy: -58.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -707.284631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.284631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.284631 (E_RNA)
where:
Base-Base interactions energy: -462.570
where: short stacking energy: -203.358
Base-Backbone interact. energy: -1.011
local terms energy: -243.704233
where:
bonds (distance) C4'-P energy: -52.690
bonds (distance) P-C4' energy: -46.825
flat angles C4'-P-C4' energy: -52.582
flat angles P-C4'-P energy: -31.265
tors. eta vs tors. theta energy: -60.342
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: 1
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -487.284428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.284428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.284428 (E_RNA)
where:
Base-Base interactions energy: -278.119
where: short stacking energy: -143.899
Base-Backbone interact. energy: -2.539
local terms energy: -206.627051
where:
bonds (distance) C4'-P energy: -48.578
bonds (distance) P-C4' energy: -57.096
flat angles C4'-P-C4' energy: -47.337
flat angles P-C4'-P energy: -32.622
tors. eta vs tors. theta energy: -20.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -495.091684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.091684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.091684 (E_RNA)
where:
Base-Base interactions energy: -293.936
where: short stacking energy: -151.119
Base-Backbone interact. energy: 0.330
local terms energy: -201.485683
where:
bonds (distance) C4'-P energy: -50.003
bonds (distance) P-C4' energy: -54.921
flat angles C4'-P-C4' energy: -40.675
flat angles P-C4'-P energy: -26.012
tors. eta vs tors. theta energy: -29.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -379.180042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.180042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.180042 (E_RNA)
where:
Base-Base interactions energy: -215.463
where: short stacking energy: -117.787
Base-Backbone interact. energy: -1.599
local terms energy: -162.118109
where:
bonds (distance) C4'-P energy: -46.267
bonds (distance) P-C4' energy: -38.375
flat angles C4'-P-C4' energy: -37.359
flat angles P-C4'-P energy: -23.413
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1025.735187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.735187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.735187 (E_RNA)
where:
Base-Base interactions energy: -709.167
where: short stacking energy: -306.139
Base-Backbone interact. energy: -0.162
local terms energy: -316.405989
where:
bonds (distance) C4'-P energy: -57.701
bonds (distance) P-C4' energy: -57.573
flat angles C4'-P-C4' energy: -67.117
flat angles P-C4'-P energy: -43.036
tors. eta vs tors. theta energy: -90.979
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: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -961.401711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.401711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.401711 (E_RNA)
where:
Base-Base interactions energy: -655.444
where: short stacking energy: -265.619
Base-Backbone interact. energy: -1.207
local terms energy: -304.750239
where:
bonds (distance) C4'-P energy: -53.870
bonds (distance) P-C4' energy: -62.253
flat angles C4'-P-C4' energy: -65.313
flat angles P-C4'-P energy: -41.775
tors. eta vs tors. theta energy: -81.540
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: 5
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -908.473648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.473648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.473648 (E_RNA)
where:
Base-Base interactions energy: -627.217
where: short stacking energy: -270.110
Base-Backbone interact. energy: -1.257
local terms energy: -279.999851
where:
bonds (distance) C4'-P energy: -55.493
bonds (distance) P-C4' energy: -46.966
flat angles C4'-P-C4' energy: -54.330
flat angles P-C4'-P energy: -49.744
tors. eta vs tors. theta energy: -73.465
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: 4, replica: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -891.828357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.828357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.828357 (E_RNA)
where:
Base-Base interactions energy: -630.582
where: short stacking energy: -263.115
Base-Backbone interact. energy: -1.105
local terms energy: -260.141585
where:
bonds (distance) C4'-P energy: -50.878
bonds (distance) P-C4' energy: -49.914
flat angles C4'-P-C4' energy: -54.827
flat angles P-C4'-P energy: -33.412
tors. eta vs tors. theta energy: -71.111
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: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -822.480377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.480377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.480377 (E_RNA)
where:
Base-Base interactions energy: -542.592
where: short stacking energy: -249.313
Base-Backbone interact. energy: -1.964
local terms energy: -277.924102
where:
bonds (distance) C4'-P energy: -44.143
bonds (distance) P-C4' energy: -58.477
flat angles C4'-P-C4' energy: -64.309
flat angles P-C4'-P energy: -38.527
tors. eta vs tors. theta energy: -72.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -746.683447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.683447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.683447 (E_RNA)
where:
Base-Base interactions energy: -505.053
where: short stacking energy: -212.637
Base-Backbone interact. energy: -0.849
local terms energy: -240.781590
where:
bonds (distance) C4'-P energy: -51.753
bonds (distance) P-C4' energy: -48.197
flat angles C4'-P-C4' energy: -46.797
flat angles P-C4'-P energy: -39.396
tors. eta vs tors. theta energy: -54.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -702.881138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.881138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.881138 (E_RNA)
where:
Base-Base interactions energy: -452.447
where: short stacking energy: -211.405
Base-Backbone interact. energy: -1.958
local terms energy: -248.476423
where:
bonds (distance) C4'-P energy: -44.338
bonds (distance) P-C4' energy: -60.433
flat angles C4'-P-C4' energy: -47.016
flat angles P-C4'-P energy: -39.500
tors. eta vs tors. theta energy: -57.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -464.257478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -464.257478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -464.257478 (E_RNA)
where:
Base-Base interactions energy: -258.476
where: short stacking energy: -140.736
Base-Backbone interact. energy: -0.378
local terms energy: -205.404128
where:
bonds (distance) C4'-P energy: -50.080
bonds (distance) P-C4' energy: -48.747
flat angles C4'-P-C4' energy: -43.505
flat angles P-C4'-P energy: -37.188
tors. eta vs tors. theta energy: -25.884
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: 6
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -458.004485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.004485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.004485 (E_RNA)
where:
Base-Base interactions energy: -280.501
where: short stacking energy: -146.329
Base-Backbone interact. energy: -0.355
local terms energy: -177.148262
where:
bonds (distance) C4'-P energy: -44.278
bonds (distance) P-C4' energy: -44.995
flat angles C4'-P-C4' energy: -46.171
flat angles P-C4'-P energy: -19.980
tors. eta vs tors. theta energy: -21.724
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: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -362.060383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.060383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.060383 (E_RNA)
where:
Base-Base interactions energy: -187.235
where: short stacking energy: -90.443
Base-Backbone interact. energy: -0.866
local terms energy: -173.958934
where:
bonds (distance) C4'-P energy: -41.457
bonds (distance) P-C4' energy: -39.753
flat angles C4'-P-C4' energy: -47.631
flat angles P-C4'-P energy: -37.636
tors. eta vs tors. theta energy: -7.481
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: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1020.872329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.872329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.872329 (E_RNA)
where:
Base-Base interactions energy: -710.276
where: short stacking energy: -287.479
Base-Backbone interact. energy: -3.488
local terms energy: -307.108175
where:
bonds (distance) C4'-P energy: -63.714
bonds (distance) P-C4' energy: -47.566
flat angles C4'-P-C4' energy: -57.934
flat angles P-C4'-P energy: -50.498
tors. eta vs tors. theta energy: -87.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -976.011366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.011366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.011366 (E_RNA)
where:
Base-Base interactions energy: -679.779
where: short stacking energy: -287.442
Base-Backbone interact. energy: -0.952
local terms energy: -295.280546
where:
bonds (distance) C4'-P energy: -53.566
bonds (distance) P-C4' energy: -52.613
flat angles C4'-P-C4' energy: -61.476
flat angles P-C4'-P energy: -40.189
tors. eta vs tors. theta energy: -87.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -882.934275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.934275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.934275 (E_RNA)
where:
Base-Base interactions energy: -594.565
where: short stacking energy: -241.055
Base-Backbone interact. energy: 0.183
local terms energy: -288.552436
where:
bonds (distance) C4'-P energy: -60.336
bonds (distance) P-C4' energy: -56.095
flat angles C4'-P-C4' energy: -54.768
flat angles P-C4'-P energy: -43.039
tors. eta vs tors. theta energy: -74.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -825.554693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.554693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.554693 (E_RNA)
where:
Base-Base interactions energy: -546.345
where: short stacking energy: -254.390
Base-Backbone interact. energy: 1.508
local terms energy: -280.718376
where:
bonds (distance) C4'-P energy: -42.726
bonds (distance) P-C4' energy: -56.964
flat angles C4'-P-C4' energy: -60.189
flat angles P-C4'-P energy: -45.356
tors. eta vs tors. theta energy: -75.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -894.286349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.286349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.286349 (E_RNA)
where:
Base-Base interactions energy: -619.552
where: short stacking energy: -274.223
Base-Backbone interact. energy: 0.314
local terms energy: -275.048785
where:
bonds (distance) C4'-P energy: -48.745
bonds (distance) P-C4' energy: -52.220
flat angles C4'-P-C4' energy: -56.031
flat angles P-C4'-P energy: -36.130
tors. eta vs tors. theta energy: -81.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -797.825403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.825403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.825403 (E_RNA)
where:
Base-Base interactions energy: -550.189
where: short stacking energy: -243.169
Base-Backbone interact. energy: -1.418
local terms energy: -246.219031
where:
bonds (distance) C4'-P energy: -49.895
bonds (distance) P-C4' energy: -43.028
flat angles C4'-P-C4' energy: -52.601
flat angles P-C4'-P energy: -38.965
tors. eta vs tors. theta energy: -61.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -725.431331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.431331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.431331 (E_RNA)
where:
Base-Base interactions energy: -492.656
where: short stacking energy: -233.463
Base-Backbone interact. energy: -1.758
local terms energy: -231.017788
where:
bonds (distance) C4'-P energy: -42.773
bonds (distance) P-C4' energy: -38.511
flat angles C4'-P-C4' energy: -59.677
flat angles P-C4'-P energy: -30.054
tors. eta vs tors. theta energy: -60.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -516.928385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.928385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.928385 (E_RNA)
where:
Base-Base interactions energy: -300.357
where: short stacking energy: -150.796
Base-Backbone interact. energy: -1.519
local terms energy: -215.051946
where:
bonds (distance) C4'-P energy: -45.866
bonds (distance) P-C4' energy: -45.417
flat angles C4'-P-C4' energy: -50.524
flat angles P-C4'-P energy: -38.565
tors. eta vs tors. theta energy: -34.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -474.719596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.719596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.719596 (E_RNA)
where:
Base-Base interactions energy: -261.814
where: short stacking energy: -135.500
Base-Backbone interact. energy: -0.979
local terms energy: -211.926099
where:
bonds (distance) C4'-P energy: -50.697
bonds (distance) P-C4' energy: -47.727
flat angles C4'-P-C4' energy: -55.884
flat angles P-C4'-P energy: -31.143
tors. eta vs tors. theta energy: -26.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -372.586376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.586376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.586376 (E_RNA)
where:
Base-Base interactions energy: -195.347
where: short stacking energy: -109.272
Base-Backbone interact. energy: -1.844
local terms energy: -175.395667
where:
bonds (distance) C4'-P energy: -50.003
bonds (distance) P-C4' energy: -56.451
flat angles C4'-P-C4' energy: -41.878
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -14.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1020.989481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.989481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.989481 (E_RNA)
where:
Base-Base interactions energy: -695.293
where: short stacking energy: -282.969
Base-Backbone interact. energy: -2.671
local terms energy: -323.025886
where:
bonds (distance) C4'-P energy: -54.332
bonds (distance) P-C4' energy: -68.375
flat angles C4'-P-C4' energy: -63.853
flat angles P-C4'-P energy: -45.775
tors. eta vs tors. theta energy: -90.691
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: 232
Temperature: 0.950000
Total energy: -967.294035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.294035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.294035 (E_RNA)
where:
Base-Base interactions energy: -689.396
where: short stacking energy: -277.605
Base-Backbone interact. energy: -0.598
local terms energy: -277.300114
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -52.591
flat angles C4'-P-C4' energy: -62.870
flat angles P-C4'-P energy: -35.562
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: 3, replica: 5
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -885.939281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.939281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.939281 (E_RNA)
where:
Base-Base interactions energy: -604.979
where: short stacking energy: -253.998
Base-Backbone interact. energy: -0.549
local terms energy: -280.411550
where:
bonds (distance) C4'-P energy: -52.157
bonds (distance) P-C4' energy: -58.549
flat angles C4'-P-C4' energy: -55.623
flat angles P-C4'-P energy: -42.909
tors. eta vs tors. theta energy: -71.173
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: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -872.139300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.139300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.139300 (E_RNA)
where:
Base-Base interactions energy: -581.094
where: short stacking energy: -267.589
Base-Backbone interact. energy: -0.359
local terms energy: -290.685664
where:
bonds (distance) C4'-P energy: -52.772
bonds (distance) P-C4' energy: -61.345
flat angles C4'-P-C4' energy: -61.591
flat angles P-C4'-P energy: -33.577
tors. eta vs tors. theta energy: -81.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -867.618482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.618482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.618482 (E_RNA)
where:
Base-Base interactions energy: -583.170
where: short stacking energy: -245.716
Base-Backbone interact. energy: -1.761
local terms energy: -282.687720
where:
bonds (distance) C4'-P energy: -52.674
bonds (distance) P-C4' energy: -56.033
flat angles C4'-P-C4' energy: -57.324
flat angles P-C4'-P energy: -46.136
tors. eta vs tors. theta energy: -70.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -787.635737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.635737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.635737 (E_RNA)
where:
Base-Base interactions energy: -534.333
where: short stacking energy: -228.535
Base-Backbone interact. energy: -0.736
local terms energy: -252.565967
where:
bonds (distance) C4'-P energy: -45.882
bonds (distance) P-C4' energy: -43.952
flat angles C4'-P-C4' energy: -66.859
flat angles P-C4'-P energy: -32.232
tors. eta vs tors. theta energy: -63.641
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: 3
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -716.393391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.393391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.393391 (E_RNA)
where:
Base-Base interactions energy: -468.306
where: short stacking energy: -219.048
Base-Backbone interact. energy: 0.808
local terms energy: -248.896136
where:
bonds (distance) C4'-P energy: -46.040
bonds (distance) P-C4' energy: -53.972
flat angles C4'-P-C4' energy: -50.315
flat angles P-C4'-P energy: -28.159
tors. eta vs tors. theta energy: -70.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -514.761429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.761429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.761429 (E_RNA)
where:
Base-Base interactions energy: -324.400
where: short stacking energy: -158.637
Base-Backbone interact. energy: -1.162
local terms energy: -189.199130
where:
bonds (distance) C4'-P energy: -48.428
bonds (distance) P-C4' energy: -45.345
flat angles C4'-P-C4' energy: -47.871
flat angles P-C4'-P energy: -22.145
tors. eta vs tors. theta energy: -25.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -489.778782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.778782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.778782 (E_RNA)
where:
Base-Base interactions energy: -289.585
where: short stacking energy: -143.576
Base-Backbone interact. energy: 0.671
local terms energy: -200.864909
where:
bonds (distance) C4'-P energy: -47.977
bonds (distance) P-C4' energy: -54.730
flat angles C4'-P-C4' energy: -52.206
flat angles P-C4'-P energy: -20.539
tors. eta vs tors. theta energy: -25.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -388.164675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -388.164675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -388.164675 (E_RNA)
where:
Base-Base interactions energy: -212.358
where: short stacking energy: -122.243
Base-Backbone interact. energy: 1.846
local terms energy: -177.652442
where:
bonds (distance) C4'-P energy: -50.112
bonds (distance) P-C4' energy: -46.724
flat angles C4'-P-C4' energy: -44.935
flat angles P-C4'-P energy: -18.759
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1018.225077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.225077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.225077 (E_RNA)
where:
Base-Base interactions energy: -724.163
where: short stacking energy: -286.592
Base-Backbone interact. energy: -1.961
local terms energy: -292.101024
where:
bonds (distance) C4'-P energy: -50.783
bonds (distance) P-C4' energy: -49.072
flat angles C4'-P-C4' energy: -62.150
flat angles P-C4'-P energy: -44.995
tors. eta vs tors. theta energy: -85.101
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: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -968.068622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.068622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.068622 (E_RNA)
where:
Base-Base interactions energy: -666.949
where: short stacking energy: -285.829
Base-Backbone interact. energy: -1.134
local terms energy: -299.985571
where:
bonds (distance) C4'-P energy: -53.593
bonds (distance) P-C4' energy: -50.364
flat angles C4'-P-C4' energy: -64.659
flat angles P-C4'-P energy: -43.311
tors. eta vs tors. theta energy: -88.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -904.056762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.056762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.056762 (E_RNA)
where:
Base-Base interactions energy: -623.827
where: short stacking energy: -274.309
Base-Backbone interact. energy: -0.314
local terms energy: -279.916102
where:
bonds (distance) C4'-P energy: -51.838
bonds (distance) P-C4' energy: -55.398
flat angles C4'-P-C4' energy: -56.764
flat angles P-C4'-P energy: -40.151
tors. eta vs tors. theta energy: -75.765
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: 2
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -871.320513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.320513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.320513 (E_RNA)
where:
Base-Base interactions energy: -573.108
where: short stacking energy: -258.534
Base-Backbone interact. energy: 0.707
local terms energy: -298.919866
where:
bonds (distance) C4'-P energy: -49.884
bonds (distance) P-C4' energy: -56.338
flat angles C4'-P-C4' energy: -65.413
flat angles P-C4'-P energy: -47.839
tors. eta vs tors. theta energy: -79.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -847.430364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.430364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.430364 (E_RNA)
where:
Base-Base interactions energy: -597.637
where: short stacking energy: -259.420
Base-Backbone interact. energy: 2.972
local terms energy: -252.765703
where:
bonds (distance) C4'-P energy: -38.793
bonds (distance) P-C4' energy: -57.748
flat angles C4'-P-C4' energy: -51.845
flat angles P-C4'-P energy: -37.152
tors. eta vs tors. theta energy: -67.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -794.042870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.042870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.042870 (E_RNA)
where:
Base-Base interactions energy: -535.331
where: short stacking energy: -236.290
Base-Backbone interact. energy: -0.916
local terms energy: -257.796019
where:
bonds (distance) C4'-P energy: -45.238
bonds (distance) P-C4' energy: -50.684
flat angles C4'-P-C4' energy: -58.352
flat angles P-C4'-P energy: -37.491
tors. eta vs tors. theta energy: -66.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -713.870235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.870235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.870235 (E_RNA)
where:
Base-Base interactions energy: -484.614
where: short stacking energy: -181.681
Base-Backbone interact. energy: -0.522
local terms energy: -228.733587
where:
bonds (distance) C4'-P energy: -47.192
bonds (distance) P-C4' energy: -48.968
flat angles C4'-P-C4' energy: -50.917
flat angles P-C4'-P energy: -37.054
tors. eta vs tors. theta energy: -44.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -530.065662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.065662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.065662 (E_RNA)
where:
Base-Base interactions energy: -315.624
where: short stacking energy: -144.565
Base-Backbone interact. energy: 1.386
local terms energy: -215.828257
where:
bonds (distance) C4'-P energy: -50.088
bonds (distance) P-C4' energy: -48.379
flat angles C4'-P-C4' energy: -50.125
flat angles P-C4'-P energy: -38.524
tors. eta vs tors. theta energy: -28.712
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: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -480.374627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.374627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.374627 (E_RNA)
where:
Base-Base interactions energy: -289.300
where: short stacking energy: -145.282
Base-Backbone interact. energy: -0.644
local terms energy: -190.431349
where:
bonds (distance) C4'-P energy: -54.385
bonds (distance) P-C4' energy: -46.900
flat angles C4'-P-C4' energy: -47.815
flat angles P-C4'-P energy: -17.483
tors. eta vs tors. theta energy: -23.849
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: 9
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -386.088513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.088513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.088513 (E_RNA)
where:
Base-Base interactions energy: -219.090
where: short stacking energy: -111.492
Base-Backbone interact. energy: -0.743
local terms energy: -166.254901
where:
bonds (distance) C4'-P energy: -53.164
bonds (distance) P-C4' energy: -43.849
flat angles C4'-P-C4' energy: -32.909
flat angles P-C4'-P energy: -26.034
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1010.419130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.419130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.419130 (E_RNA)
where:
Base-Base interactions energy: -721.718
where: short stacking energy: -300.712
Base-Backbone interact. energy: -1.413
local terms energy: -287.288444
where:
bonds (distance) C4'-P energy: -40.051
bonds (distance) P-C4' energy: -46.068
flat angles C4'-P-C4' energy: -71.286
flat angles P-C4'-P energy: -42.275
tors. eta vs tors. theta energy: -87.608
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: 7
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -965.977957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.977957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.977957 (E_RNA)
where:
Base-Base interactions energy: -664.937
where: short stacking energy: -292.927
Base-Backbone interact. energy: -0.891
local terms energy: -300.150255
where:
bonds (distance) C4'-P energy: -55.986
bonds (distance) P-C4' energy: -60.363
flat angles C4'-P-C4' energy: -64.463
flat angles P-C4'-P energy: -37.407
tors. eta vs tors. theta energy: -81.932
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: 3, replica: 5
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -912.498479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.498479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.498479 (E_RNA)
where:
Base-Base interactions energy: -613.547
where: short stacking energy: -263.272
Base-Backbone interact. energy: -1.717
local terms energy: -297.234282
where:
bonds (distance) C4'-P energy: -46.712
bonds (distance) P-C4' energy: -62.939
flat angles C4'-P-C4' energy: -64.603
flat angles P-C4'-P energy: -46.925
tors. eta vs tors. theta energy: -76.055
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: 2
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -863.268116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.268116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.268116 (E_RNA)
where:
Base-Base interactions energy: -571.256
where: short stacking energy: -256.147
Base-Backbone interact. energy: -1.146
local terms energy: -290.865900
where:
bonds (distance) C4'-P energy: -56.935
bonds (distance) P-C4' energy: -57.010
flat angles C4'-P-C4' energy: -55.011
flat angles P-C4'-P energy: -42.610
tors. eta vs tors. theta energy: -79.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -858.816827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.816827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.816827 (E_RNA)
where:
Base-Base interactions energy: -595.367
where: short stacking energy: -245.084
Base-Backbone interact. energy: -1.376
local terms energy: -262.073754
where:
bonds (distance) C4'-P energy: -44.795
bonds (distance) P-C4' energy: -51.521
flat angles C4'-P-C4' energy: -62.083
flat angles P-C4'-P energy: -44.106
tors. eta vs tors. theta energy: -59.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -798.175024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.175024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.175024 (E_RNA)
where:
Base-Base interactions energy: -547.206
where: short stacking energy: -239.706
Base-Backbone interact. energy: -1.730
local terms energy: -249.239048
where:
bonds (distance) C4'-P energy: -47.004
bonds (distance) P-C4' energy: -34.306
flat angles C4'-P-C4' energy: -56.721
flat angles P-C4'-P energy: -39.898
tors. eta vs tors. theta energy: -71.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -750.713236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.713236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.713236 (E_RNA)
where:
Base-Base interactions energy: -525.039
where: short stacking energy: -205.288
Base-Backbone interact. energy: -1.597
local terms energy: -224.077308
where:
bonds (distance) C4'-P energy: -41.023
bonds (distance) P-C4' energy: -48.723
flat angles C4'-P-C4' energy: -52.410
flat angles P-C4'-P energy: -35.293
tors. eta vs tors. theta energy: -46.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -519.899748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.899748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.899748 (E_RNA)
where:
Base-Base interactions energy: -327.221
where: short stacking energy: -160.130
Base-Backbone interact. energy: -0.892
local terms energy: -191.786742
where:
bonds (distance) C4'-P energy: -44.745
bonds (distance) P-C4' energy: -35.653
flat angles C4'-P-C4' energy: -47.814
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -31.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -394.910464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.910464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.910464 (E_RNA)
where:
Base-Base interactions energy: -213.492
where: short stacking energy: -113.066
Base-Backbone interact. energy: -1.932
local terms energy: -179.486381
where:
bonds (distance) C4'-P energy: -52.159
bonds (distance) P-C4' energy: -48.143
flat angles C4'-P-C4' energy: -36.893
flat angles P-C4'-P energy: -30.028
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -428.216409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.216409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.216409 (E_RNA)
where:
Base-Base interactions energy: -233.802
where: short stacking energy: -122.385
Base-Backbone interact. energy: -0.892
local terms energy: -193.522071
where:
bonds (distance) C4'-P energy: -45.630
bonds (distance) P-C4' energy: -54.694
flat angles C4'-P-C4' energy: -37.008
flat angles P-C4'-P energy: -38.079
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1040.399005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.399005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.399005 (E_RNA)
where:
Base-Base interactions energy: -716.055
where: short stacking energy: -296.091
Base-Backbone interact. energy: -2.654
local terms energy: -321.690047
where:
bonds (distance) C4'-P energy: -56.653
bonds (distance) P-C4' energy: -62.548
flat angles C4'-P-C4' energy: -68.053
flat angles P-C4'-P energy: -45.098
tors. eta vs tors. theta energy: -89.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -971.662476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.662476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.662476 (E_RNA)
where:
Base-Base interactions energy: -675.035
where: short stacking energy: -282.659
Base-Backbone interact. energy: -1.109
local terms energy: -295.518382
where:
bonds (distance) C4'-P energy: -50.718
bonds (distance) P-C4' energy: -58.528
flat angles C4'-P-C4' energy: -61.637
flat angles P-C4'-P energy: -40.505
tors. eta vs tors. theta energy: -84.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -928.779947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.779947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.779947 (E_RNA)
where:
Base-Base interactions energy: -631.457
where: short stacking energy: -268.629
Base-Backbone interact. energy: -2.154
local terms energy: -295.168888
where:
bonds (distance) C4'-P energy: -52.487
bonds (distance) P-C4' energy: -49.656
flat angles C4'-P-C4' energy: -64.827
flat angles P-C4'-P energy: -44.886
tors. eta vs tors. theta energy: -83.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -879.593728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.593728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.593728 (E_RNA)
where:
Base-Base interactions energy: -597.050
where: short stacking energy: -263.929
Base-Backbone interact. energy: 0.567
local terms energy: -283.110999
where:
bonds (distance) C4'-P energy: -59.770
bonds (distance) P-C4' energy: -46.937
flat angles C4'-P-C4' energy: -61.740
flat angles P-C4'-P energy: -41.227
tors. eta vs tors. theta energy: -73.437
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: 2
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -831.596486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.596486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.596486 (E_RNA)
where:
Base-Base interactions energy: -573.133
where: short stacking energy: -241.964
Base-Backbone interact. energy: -1.979
local terms energy: -256.484454
where:
bonds (distance) C4'-P energy: -44.818
bonds (distance) P-C4' energy: -45.399
flat angles C4'-P-C4' energy: -58.049
flat angles P-C4'-P energy: -46.532
tors. eta vs tors. theta energy: -61.686
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: 10
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -792.430535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.430535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.430535 (E_RNA)
where:
Base-Base interactions energy: -543.770
where: short stacking energy: -240.604
Base-Backbone interact. energy: -1.275
local terms energy: -247.385405
where:
bonds (distance) C4'-P energy: -33.070
bonds (distance) P-C4' energy: -47.079
flat angles C4'-P-C4' energy: -57.028
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -70.029
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: 3
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -709.120399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.120399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.120399 (E_RNA)
where:
Base-Base interactions energy: -466.853
where: short stacking energy: -188.421
Base-Backbone interact. energy: -1.668
local terms energy: -240.599293
where:
bonds (distance) C4'-P energy: -48.763
bonds (distance) P-C4' energy: -46.908
flat angles C4'-P-C4' energy: -56.094
flat angles P-C4'-P energy: -37.642
tors. eta vs tors. theta energy: -51.191
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: 1
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -510.031840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.031840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.031840 (E_RNA)
where:
Base-Base interactions energy: -300.084
where: short stacking energy: -161.740
Base-Backbone interact. energy: -0.286
local terms energy: -209.661379
where:
bonds (distance) C4'-P energy: -40.440
bonds (distance) P-C4' energy: -45.723
flat angles C4'-P-C4' energy: -54.217
flat angles P-C4'-P energy: -37.269
tors. eta vs tors. theta energy: -32.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -411.741189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.741189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.741189 (E_RNA)
where:
Base-Base interactions energy: -220.736
where: short stacking energy: -128.368
Base-Backbone interact. energy: 0.535
local terms energy: -191.540583
where:
bonds (distance) C4'-P energy: -48.166
bonds (distance) P-C4' energy: -52.301
flat angles C4'-P-C4' energy: -48.661
flat angles P-C4'-P energy: -25.016
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -430.513670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -430.513670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -430.513670 (E_RNA)
where:
Base-Base interactions energy: -241.812
where: short stacking energy: -120.104
Base-Backbone interact. energy: -1.955
local terms energy: -186.746078
where:
bonds (distance) C4'-P energy: -46.101
bonds (distance) P-C4' energy: -51.559
flat angles C4'-P-C4' energy: -54.503
flat angles P-C4'-P energy: -18.165
tors. eta vs tors. theta energy: -16.418
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: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1035.388608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.388608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.388608 (E_RNA)
where:
Base-Base interactions energy: -700.200
where: short stacking energy: -301.942
Base-Backbone interact. energy: -0.854
local terms energy: -334.334518
where:
bonds (distance) C4'-P energy: -67.601
bonds (distance) P-C4' energy: -59.491
flat angles C4'-P-C4' energy: -66.044
flat angles P-C4'-P energy: -47.159
tors. eta vs tors. theta energy: -94.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -966.827244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.827244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.827244 (E_RNA)
where:
Base-Base interactions energy: -665.973
where: short stacking energy: -283.620
Base-Backbone interact. energy: -1.355
local terms energy: -299.499222
where:
bonds (distance) C4'-P energy: -59.747
bonds (distance) P-C4' energy: -57.755
flat angles C4'-P-C4' energy: -56.522
flat angles P-C4'-P energy: -37.895
tors. eta vs tors. theta energy: -87.581
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: 8
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -891.977042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.977042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.977042 (E_RNA)
where:
Base-Base interactions energy: -599.258
where: short stacking energy: -262.225
Base-Backbone interact. energy: -0.075
local terms energy: -292.643785
where:
bonds (distance) C4'-P energy: -46.991
bonds (distance) P-C4' energy: -62.964
flat angles C4'-P-C4' energy: -61.937
flat angles P-C4'-P energy: -47.134
tors. eta vs tors. theta energy: -73.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -883.515840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.515840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.515840 (E_RNA)
where:
Base-Base interactions energy: -598.272
where: short stacking energy: -261.266
Base-Backbone interact. energy: -1.853
local terms energy: -283.390638
where:
bonds (distance) C4'-P energy: -43.511
bonds (distance) P-C4' energy: -55.513
flat angles C4'-P-C4' energy: -55.168
flat angles P-C4'-P energy: -45.159
tors. eta vs tors. theta energy: -84.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -805.022810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.022810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.022810 (E_RNA)
where:
Base-Base interactions energy: -537.267
where: short stacking energy: -233.270
Base-Backbone interact. energy: -1.475
local terms energy: -266.281647
where:
bonds (distance) C4'-P energy: -51.896
bonds (distance) P-C4' energy: -56.881
flat angles C4'-P-C4' energy: -56.855
flat angles P-C4'-P energy: -30.971
tors. eta vs tors. theta energy: -69.678
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: 10
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -777.387235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.387235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.387235 (E_RNA)
where:
Base-Base interactions energy: -525.929
where: short stacking energy: -228.035
Base-Backbone interact. energy: -1.955
local terms energy: -249.502459
where:
bonds (distance) C4'-P energy: -52.654
bonds (distance) P-C4' energy: -50.502
flat angles C4'-P-C4' energy: -55.183
flat angles P-C4'-P energy: -28.924
tors. eta vs tors. theta energy: -62.239
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: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -714.852946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.852946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.852946 (E_RNA)
where:
Base-Base interactions energy: -499.103
where: short stacking energy: -208.273
Base-Backbone interact. energy: -1.654
local terms energy: -214.096110
where:
bonds (distance) C4'-P energy: -59.261
bonds (distance) P-C4' energy: -40.459
flat angles C4'-P-C4' energy: -46.527
flat angles P-C4'-P energy: -17.588
tors. eta vs tors. theta energy: -50.261
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: 8, replica: 1
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -537.662225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.662225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.662225 (E_RNA)
where:
Base-Base interactions energy: -333.008
where: short stacking energy: -171.751
Base-Backbone interact. energy: -1.442
local terms energy: -203.211706
where:
bonds (distance) C4'-P energy: -45.355
bonds (distance) P-C4' energy: -58.789
flat angles C4'-P-C4' energy: -43.461
flat angles P-C4'-P energy: -21.611
tors. eta vs tors. theta energy: -33.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -461.082225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.082225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.082225 (E_RNA)
where:
Base-Base interactions energy: -266.275
where: short stacking energy: -120.574
Base-Backbone interact. energy: 5.620
local terms energy: -200.426674
where:
bonds (distance) C4'-P energy: -48.689
bonds (distance) P-C4' energy: -53.441
flat angles C4'-P-C4' energy: -47.115
flat angles P-C4'-P energy: -32.302
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -404.050519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -404.050519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -404.050519 (E_RNA)
where:
Base-Base interactions energy: -249.407
where: short stacking energy: -130.398
Base-Backbone interact. energy: -1.224
local terms energy: -153.420275
where:
bonds (distance) C4'-P energy: -40.740
bonds (distance) P-C4' energy: -40.299
flat angles C4'-P-C4' energy: -40.192
flat angles P-C4'-P energy: -19.247
tors. eta vs tors. theta energy: -12.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1030.026634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.026634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.026634 (E_RNA)
where:
Base-Base interactions energy: -708.971
where: short stacking energy: -311.155
Base-Backbone interact. energy: -0.993
local terms energy: -320.063106
where:
bonds (distance) C4'-P energy: -63.172
bonds (distance) P-C4' energy: -56.903
flat angles C4'-P-C4' energy: -60.309
flat angles P-C4'-P energy: -43.849
tors. eta vs tors. theta energy: -95.831
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: 237
Temperature: 0.950000
Total energy: -983.436470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.436470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.436470 (E_RNA)
where:
Base-Base interactions energy: -677.381
where: short stacking energy: -285.745
Base-Backbone interact. energy: -0.851
local terms energy: -305.205164
where:
bonds (distance) C4'-P energy: -49.573
bonds (distance) P-C4' energy: -58.882
flat angles C4'-P-C4' energy: -61.815
flat angles P-C4'-P energy: -47.296
tors. eta vs tors. theta energy: -87.639
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: 3, replica: 8
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -895.997100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.997100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.997100 (E_RNA)
where:
Base-Base interactions energy: -607.539
where: short stacking energy: -276.451
Base-Backbone interact. energy: -2.337
local terms energy: -286.120487
where:
bonds (distance) C4'-P energy: -52.274
bonds (distance) P-C4' energy: -50.562
flat angles C4'-P-C4' energy: -62.789
flat angles P-C4'-P energy: -47.331
tors. eta vs tors. theta energy: -73.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -859.727043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.727043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.727043 (E_RNA)
where:
Base-Base interactions energy: -580.167
where: short stacking energy: -248.262
Base-Backbone interact. energy: -1.744
local terms energy: -277.815992
where:
bonds (distance) C4'-P energy: -52.656
bonds (distance) P-C4' energy: -57.495
flat angles C4'-P-C4' energy: -63.089
flat angles P-C4'-P energy: -29.649
tors. eta vs tors. theta energy: -74.928
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: 237
Temperature: 1.100000
Total energy: -838.500482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.500482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.500482 (E_RNA)
where:
Base-Base interactions energy: -588.746
where: short stacking energy: -258.235
Base-Backbone interact. energy: -0.847
local terms energy: -248.906919
where:
bonds (distance) C4'-P energy: -40.816
bonds (distance) P-C4' energy: -52.023
flat angles C4'-P-C4' energy: -52.703
flat angles P-C4'-P energy: -30.188
tors. eta vs tors. theta energy: -73.177
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: 10
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -809.866349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -809.866349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -809.866349 (E_RNA)
where:
Base-Base interactions energy: -561.363
where: short stacking energy: -239.102
Base-Backbone interact. energy: 3.073
local terms energy: -251.576248
where:
bonds (distance) C4'-P energy: -42.936
bonds (distance) P-C4' energy: -52.661
flat angles C4'-P-C4' energy: -44.705
flat angles P-C4'-P energy: -38.446
tors. eta vs tors. theta energy: -72.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -732.378126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.378126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.378126 (E_RNA)
where:
Base-Base interactions energy: -505.297
where: short stacking energy: -222.768
Base-Backbone interact. energy: 1.592
local terms energy: -228.673665
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -51.590
flat angles C4'-P-C4' energy: -45.306
flat angles P-C4'-P energy: -30.926
tors. eta vs tors. theta energy: -55.302
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: 1
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -515.154289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -515.154289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -515.154289 (E_RNA)
where:
Base-Base interactions energy: -323.388
where: short stacking energy: -165.596
Base-Backbone interact. energy: -0.530
local terms energy: -191.237002
where:
bonds (distance) C4'-P energy: -46.369
bonds (distance) P-C4' energy: -38.387
flat angles C4'-P-C4' energy: -40.007
flat angles P-C4'-P energy: -28.533
tors. eta vs tors. theta energy: -37.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -470.758921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.758921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.758921 (E_RNA)
where:
Base-Base interactions energy: -299.313
where: short stacking energy: -138.470
Base-Backbone interact. energy: -2.236
local terms energy: -169.210659
where:
bonds (distance) C4'-P energy: -40.422
bonds (distance) P-C4' energy: -45.947
flat angles C4'-P-C4' energy: -37.998
flat angles P-C4'-P energy: -24.993
tors. eta vs tors. theta energy: -19.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -435.444593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.444593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.444593 (E_RNA)
where:
Base-Base interactions energy: -281.656
where: short stacking energy: -129.649
Base-Backbone interact. energy: -0.873
local terms energy: -152.915757
where:
bonds (distance) C4'-P energy: -44.887
bonds (distance) P-C4' energy: -45.592
flat angles C4'-P-C4' energy: -29.994
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -16.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -973.249146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.249146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.249146 (E_RNA)
where:
Base-Base interactions energy: -656.106
where: short stacking energy: -293.185
Base-Backbone interact. energy: -1.144
local terms energy: -315.998865
where:
bonds (distance) C4'-P energy: -57.243
bonds (distance) P-C4' energy: -57.234
flat angles C4'-P-C4' energy: -68.601
flat angles P-C4'-P energy: -47.152
tors. eta vs tors. theta energy: -85.769
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: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1020.661290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.661290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.661290 (E_RNA)
where:
Base-Base interactions energy: -714.562
where: short stacking energy: -306.289
Base-Backbone interact. energy: -2.557
local terms energy: -303.542259
where:
bonds (distance) C4'-P energy: -55.053
bonds (distance) P-C4' energy: -59.023
flat angles C4'-P-C4' energy: -61.058
flat angles P-C4'-P energy: -40.283
tors. eta vs tors. theta energy: -88.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -900.938808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.938808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.938808 (E_RNA)
where:
Base-Base interactions energy: -617.989
where: short stacking energy: -273.139
Base-Backbone interact. energy: -0.614
local terms energy: -282.335348
where:
bonds (distance) C4'-P energy: -60.554
bonds (distance) P-C4' energy: -55.097
flat angles C4'-P-C4' energy: -60.263
flat angles P-C4'-P energy: -32.328
tors. eta vs tors. theta energy: -74.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -850.218910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.218910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.218910 (E_RNA)
where:
Base-Base interactions energy: -564.266
where: short stacking energy: -259.422
Base-Backbone interact. energy: 1.222
local terms energy: -287.174858
where:
bonds (distance) C4'-P energy: -51.661
bonds (distance) P-C4' energy: -55.646
flat angles C4'-P-C4' energy: -57.972
flat angles P-C4'-P energy: -42.536
tors. eta vs tors. theta energy: -79.359
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: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -844.379475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.379475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.379475 (E_RNA)
where:
Base-Base interactions energy: -585.468
where: short stacking energy: -252.742
Base-Backbone interact. energy: -0.444
local terms energy: -258.467503
where:
bonds (distance) C4'-P energy: -47.527
bonds (distance) P-C4' energy: -52.644
flat angles C4'-P-C4' energy: -52.855
flat angles P-C4'-P energy: -42.288
tors. eta vs tors. theta energy: -63.153
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: 6, replica: 10
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -800.843731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.843731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.843731 (E_RNA)
where:
Base-Base interactions energy: -551.639
where: short stacking energy: -241.360
Base-Backbone interact. energy: -0.225
local terms energy: -248.979842
where:
bonds (distance) C4'-P energy: -48.593
bonds (distance) P-C4' energy: -54.329
flat angles C4'-P-C4' energy: -61.619
flat angles P-C4'-P energy: -24.707
tors. eta vs tors. theta energy: -59.732
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: 238
Temperature: 1.200000
Total energy: -704.251134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.251134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.251134 (E_RNA)
where:
Base-Base interactions energy: -465.862
where: short stacking energy: -201.695
Base-Backbone interact. energy: -0.605
local terms energy: -237.783889
where:
bonds (distance) C4'-P energy: -48.047
bonds (distance) P-C4' energy: -49.925
flat angles C4'-P-C4' energy: -56.343
flat angles P-C4'-P energy: -34.028
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: 8, replica: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -541.911285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.911285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.911285 (E_RNA)
where:
Base-Base interactions energy: -330.836
where: short stacking energy: -170.682
Base-Backbone interact. energy: 1.486
local terms energy: -212.561450
where:
bonds (distance) C4'-P energy: -50.658
bonds (distance) P-C4' energy: -50.339
flat angles C4'-P-C4' energy: -51.649
flat angles P-C4'-P energy: -26.513
tors. eta vs tors. theta energy: -33.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -479.937028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.937028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.937028 (E_RNA)
where:
Base-Base interactions energy: -285.163
where: short stacking energy: -129.598
Base-Backbone interact. energy: -1.296
local terms energy: -193.477707
where:
bonds (distance) C4'-P energy: -50.824
bonds (distance) P-C4' energy: -44.893
flat angles C4'-P-C4' energy: -37.495
flat angles P-C4'-P energy: -27.549
tors. eta vs tors. theta energy: -32.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -435.088591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.088591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.088591 (E_RNA)
where:
Base-Base interactions energy: -267.713
where: short stacking energy: -140.959
Base-Backbone interact. energy: 0.169
local terms energy: -167.544455
where:
bonds (distance) C4'-P energy: -41.935
bonds (distance) P-C4' energy: -45.481
flat angles C4'-P-C4' energy: -37.904
flat angles P-C4'-P energy: -27.549
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -978.077073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.077073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.077073 (E_RNA)
where:
Base-Base interactions energy: -653.697
where: short stacking energy: -281.374
Base-Backbone interact. energy: -0.807
local terms energy: -323.572750
where:
bonds (distance) C4'-P energy: -59.069
bonds (distance) P-C4' energy: -58.761
flat angles C4'-P-C4' energy: -58.760
flat angles P-C4'-P energy: -56.186
tors. eta vs tors. theta energy: -90.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1005.284816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.284816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.284816 (E_RNA)
where:
Base-Base interactions energy: -702.574
where: short stacking energy: -285.418
Base-Backbone interact. energy: -1.355
local terms energy: -301.356005
where:
bonds (distance) C4'-P energy: -53.869
bonds (distance) P-C4' energy: -53.290
flat angles C4'-P-C4' energy: -61.657
flat angles P-C4'-P energy: -43.733
tors. eta vs tors. theta energy: -88.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -905.329343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.329343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.329343 (E_RNA)
where:
Base-Base interactions energy: -615.732
where: short stacking energy: -283.754
Base-Backbone interact. energy: -1.697
local terms energy: -287.900527
where:
bonds (distance) C4'-P energy: -49.042
bonds (distance) P-C4' energy: -58.108
flat angles C4'-P-C4' energy: -59.803
flat angles P-C4'-P energy: -44.993
tors. eta vs tors. theta energy: -75.955
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: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -856.106463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.106463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.106463 (E_RNA)
where:
Base-Base interactions energy: -582.543
where: short stacking energy: -254.842
Base-Backbone interact. energy: -0.954
local terms energy: -272.610022
where:
bonds (distance) C4'-P energy: -49.462
bonds (distance) P-C4' energy: -51.407
flat angles C4'-P-C4' energy: -59.048
flat angles P-C4'-P energy: -40.199
tors. eta vs tors. theta energy: -72.494
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: 239
Temperature: 1.100000
Total energy: -838.684736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.684736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.684736 (E_RNA)
where:
Base-Base interactions energy: -566.425
where: short stacking energy: -257.338
Base-Backbone interact. energy: -2.559
local terms energy: -269.700184
where:
bonds (distance) C4'-P energy: -47.940
bonds (distance) P-C4' energy: -52.236
flat angles C4'-P-C4' energy: -57.669
flat angles P-C4'-P energy: -34.546
tors. eta vs tors. theta energy: -77.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -774.291113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.291113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.291113 (E_RNA)
where:
Base-Base interactions energy: -508.374
where: short stacking energy: -216.056
Base-Backbone interact. energy: -1.538
local terms energy: -264.378371
where:
bonds (distance) C4'-P energy: -52.463
bonds (distance) P-C4' energy: -52.357
flat angles C4'-P-C4' energy: -61.049
flat angles P-C4'-P energy: -38.446
tors. eta vs tors. theta energy: -60.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -699.766800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.766800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.766800 (E_RNA)
where:
Base-Base interactions energy: -453.769
where: short stacking energy: -209.334
Base-Backbone interact. energy: -1.252
local terms energy: -244.746564
where:
bonds (distance) C4'-P energy: -48.301
bonds (distance) P-C4' energy: -51.562
flat angles C4'-P-C4' energy: -49.423
flat angles P-C4'-P energy: -40.576
tors. eta vs tors. theta energy: -54.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -510.041429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.041429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.041429 (E_RNA)
where:
Base-Base interactions energy: -328.460
where: short stacking energy: -158.873
Base-Backbone interact. energy: 1.026
local terms energy: -182.607612
where:
bonds (distance) C4'-P energy: -38.072
bonds (distance) P-C4' energy: -50.414
flat angles C4'-P-C4' energy: -45.560
flat angles P-C4'-P energy: -33.434
tors. eta vs tors. theta energy: -15.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -437.712512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.712512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.712512 (E_RNA)
where:
Base-Base interactions energy: -248.030
where: short stacking energy: -118.504
Base-Backbone interact. energy: -1.885
local terms energy: -187.797060
where:
bonds (distance) C4'-P energy: -58.556
bonds (distance) P-C4' energy: -45.387
flat angles C4'-P-C4' energy: -46.852
flat angles P-C4'-P energy: -23.681
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -428.111720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -428.111720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -428.111720 (E_RNA)
where:
Base-Base interactions energy: -255.151
where: short stacking energy: -141.502
Base-Backbone interact. energy: 2.223
local terms energy: -175.183661
where:
bonds (distance) C4'-P energy: -55.938
bonds (distance) P-C4' energy: -42.130
flat angles C4'-P-C4' energy: -37.785
flat angles P-C4'-P energy: -22.819
tors. eta vs tors. theta energy: -16.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -1033.979760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.979760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.979760 (E_RNA)
where:
Base-Base interactions energy: -704.082
where: short stacking energy: -282.712
Base-Backbone interact. energy: -0.975
local terms energy: -328.922348
where:
bonds (distance) C4'-P energy: -59.636
bonds (distance) P-C4' energy: -63.005
flat angles C4'-P-C4' energy: -70.336
flat angles P-C4'-P energy: -47.190
tors. eta vs tors. theta energy: -88.756
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: 7
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -963.715804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.715804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.715804 (E_RNA)
where:
Base-Base interactions energy: -667.296
where: short stacking energy: -295.271
Base-Backbone interact. energy: 0.082
local terms energy: -296.501148
where:
bonds (distance) C4'-P energy: -47.302
bonds (distance) P-C4' energy: -63.237
flat angles C4'-P-C4' energy: -62.275
flat angles P-C4'-P energy: -39.184
tors. eta vs tors. theta energy: -84.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -883.274411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.274411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.274411 (E_RNA)
where:
Base-Base interactions energy: -595.183
where: short stacking energy: -264.369
Base-Backbone interact. energy: -1.377
local terms energy: -286.714106
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -54.935
flat angles C4'-P-C4' energy: -62.360
flat angles P-C4'-P energy: -37.343
tors. eta vs tors. theta energy: -79.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -879.060268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.060268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.060268 (E_RNA)
where:
Base-Base interactions energy: -593.481
where: short stacking energy: -265.135
Base-Backbone interact. energy: -2.116
local terms energy: -283.462960
where:
bonds (distance) C4'-P energy: -57.657
bonds (distance) P-C4' energy: -51.702
flat angles C4'-P-C4' energy: -55.781
flat angles P-C4'-P energy: -44.370
tors. eta vs tors. theta energy: -73.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -834.038299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.038299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.038299 (E_RNA)
where:
Base-Base interactions energy: -561.889
where: short stacking energy: -258.827
Base-Backbone interact. energy: 3.877
local terms energy: -276.026832
where:
bonds (distance) C4'-P energy: -46.673
bonds (distance) P-C4' energy: -53.533
flat angles C4'-P-C4' energy: -60.257
flat angles P-C4'-P energy: -36.559
tors. eta vs tors. theta energy: -79.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -756.677204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.677204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.677204 (E_RNA)
where:
Base-Base interactions energy: -504.965
where: short stacking energy: -204.570
Base-Backbone interact. energy: -0.625
local terms energy: -251.087474
where:
bonds (distance) C4'-P energy: -58.316
bonds (distance) P-C4' energy: -48.674
flat angles C4'-P-C4' energy: -56.286
flat angles P-C4'-P energy: -31.867
tors. eta vs tors. theta energy: -55.945
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: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -675.857170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.857170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.857170 (E_RNA)
where:
Base-Base interactions energy: -447.760
where: short stacking energy: -197.470
Base-Backbone interact. energy: -1.520
local terms energy: -226.576692
where:
bonds (distance) C4'-P energy: -46.933
bonds (distance) P-C4' energy: -54.494
flat angles C4'-P-C4' energy: -39.583
flat angles P-C4'-P energy: -36.345
tors. eta vs tors. theta energy: -49.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -493.485827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -493.485827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -493.485827 (E_RNA)
where:
Base-Base interactions energy: -310.767
where: short stacking energy: -149.414
Base-Backbone interact. energy: 1.158
local terms energy: -183.877457
where:
bonds (distance) C4'-P energy: -41.320
bonds (distance) P-C4' energy: -45.482
flat angles C4'-P-C4' energy: -43.020
flat angles P-C4'-P energy: -29.075
tors. eta vs tors. theta energy: -24.981
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: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -459.581605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.581605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.581605 (E_RNA)
where:
Base-Base interactions energy: -251.939
where: short stacking energy: -139.193
Base-Backbone interact. energy: -1.197
local terms energy: -206.446225
where:
bonds (distance) C4'-P energy: -45.777
bonds (distance) P-C4' energy: -57.059
flat angles C4'-P-C4' energy: -40.043
flat angles P-C4'-P energy: -32.018
tors. eta vs tors. theta energy: -31.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -465.953124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.953124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.953124 (E_RNA)
where:
Base-Base interactions energy: -278.582
where: short stacking energy: -134.635
Base-Backbone interact. energy: -0.571
local terms energy: -186.799884
where:
bonds (distance) C4'-P energy: -47.508
bonds (distance) P-C4' energy: -46.764
flat angles C4'-P-C4' energy: -44.128
flat angles P-C4'-P energy: -27.717
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: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1001.241679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.241679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.241679 (E_RNA)
where:
Base-Base interactions energy: -693.578
where: short stacking energy: -286.535
Base-Backbone interact. energy: -1.768
local terms energy: -305.895291
where:
bonds (distance) C4'-P energy: -56.795
bonds (distance) P-C4' energy: -53.928
flat angles C4'-P-C4' energy: -65.821
flat angles P-C4'-P energy: -48.867
tors. eta vs tors. theta energy: -80.484
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: 7
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -957.440094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.440094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.440094 (E_RNA)
where:
Base-Base interactions energy: -650.243
where: short stacking energy: -276.050
Base-Backbone interact. energy: -2.120
local terms energy: -305.076516
where:
bonds (distance) C4'-P energy: -55.367
bonds (distance) P-C4' energy: -57.045
flat angles C4'-P-C4' energy: -62.531
flat angles P-C4'-P energy: -43.053
tors. eta vs tors. theta energy: -87.081
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: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -901.239436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.239436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.239436 (E_RNA)
where:
Base-Base interactions energy: -603.037
where: short stacking energy: -279.393
Base-Backbone interact. energy: -0.576
local terms energy: -297.627307
where:
bonds (distance) C4'-P energy: -62.728
bonds (distance) P-C4' energy: -55.822
flat angles C4'-P-C4' energy: -58.379
flat angles P-C4'-P energy: -42.141
tors. eta vs tors. theta energy: -78.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -893.006589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.006589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.006589 (E_RNA)
where:
Base-Base interactions energy: -610.290
where: short stacking energy: -279.285
Base-Backbone interact. energy: -1.018
local terms energy: -281.698584
where:
bonds (distance) C4'-P energy: -52.081
bonds (distance) P-C4' energy: -53.033
flat angles C4'-P-C4' energy: -62.385
flat angles P-C4'-P energy: -40.074
tors. eta vs tors. theta energy: -74.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -853.582622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.582622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.582622 (E_RNA)
where:
Base-Base interactions energy: -590.517
where: short stacking energy: -260.405
Base-Backbone interact. energy: 0.942
local terms energy: -264.007151
where:
bonds (distance) C4'-P energy: -44.997
bonds (distance) P-C4' energy: -53.021
flat angles C4'-P-C4' energy: -53.481
flat angles P-C4'-P energy: -35.973
tors. eta vs tors. theta energy: -76.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -770.401991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.401991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.401991 (E_RNA)
where:
Base-Base interactions energy: -522.344
where: short stacking energy: -211.776
Base-Backbone interact. energy: -0.563
local terms energy: -247.495008
where:
bonds (distance) C4'-P energy: -42.939
bonds (distance) P-C4' energy: -47.482
flat angles C4'-P-C4' energy: -51.205
flat angles P-C4'-P energy: -43.226
tors. eta vs tors. theta energy: -62.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -704.395443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.395443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.395443 (E_RNA)
where:
Base-Base interactions energy: -476.554
where: short stacking energy: -205.105
Base-Backbone interact. energy: -0.569
local terms energy: -227.272418
where:
bonds (distance) C4'-P energy: -37.237
bonds (distance) P-C4' energy: -45.995
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -32.843
tors. eta vs tors. theta energy: -56.610
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: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -495.590100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -495.590100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -495.590100 (E_RNA)
where:
Base-Base interactions energy: -284.278
where: short stacking energy: -145.014
Base-Backbone interact. energy: 1.085
local terms energy: -212.396903
where:
bonds (distance) C4'-P energy: -60.445
bonds (distance) P-C4' energy: -50.731
flat angles C4'-P-C4' energy: -47.122
flat angles P-C4'-P energy: -29.574
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -465.933889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.933889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.933889 (E_RNA)
where:
Base-Base interactions energy: -285.280
where: short stacking energy: -152.868
Base-Backbone interact. energy: 2.328
local terms energy: -182.981952
where:
bonds (distance) C4'-P energy: -46.109
bonds (distance) P-C4' energy: -51.566
flat angles C4'-P-C4' energy: -32.698
flat angles P-C4'-P energy: -31.521
tors. eta vs tors. theta energy: -21.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -435.389364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.389364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.389364 (E_RNA)
where:
Base-Base interactions energy: -244.211
where: short stacking energy: -121.008
Base-Backbone interact. energy: -0.266
local terms energy: -190.911931
where:
bonds (distance) C4'-P energy: -56.217
bonds (distance) P-C4' energy: -52.028
flat angles C4'-P-C4' energy: -43.715
flat angles P-C4'-P energy: -24.035
tors. eta vs tors. theta energy: -14.919
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: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1025.608773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.608773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.608773 (E_RNA)
where:
Base-Base interactions energy: -707.637
where: short stacking energy: -299.587
Base-Backbone interact. energy: 0.916
local terms energy: -318.887963
where:
bonds (distance) C4'-P energy: -63.915
bonds (distance) P-C4' energy: -61.094
flat angles C4'-P-C4' energy: -65.118
flat angles P-C4'-P energy: -37.596
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: 2, replica: 7
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -981.668554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.668554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.668554 (E_RNA)
where:
Base-Base interactions energy: -682.240
where: short stacking energy: -288.578
Base-Backbone interact. energy: -0.683
local terms energy: -298.746081
where:
bonds (distance) C4'-P energy: -52.870
bonds (distance) P-C4' energy: -53.388
flat angles C4'-P-C4' energy: -67.112
flat angles P-C4'-P energy: -46.100
tors. eta vs tors. theta energy: -79.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -907.583920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.583920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.583920 (E_RNA)
where:
Base-Base interactions energy: -616.768
where: short stacking energy: -264.744
Base-Backbone interact. energy: -2.098
local terms energy: -288.717420
where:
bonds (distance) C4'-P energy: -50.755
bonds (distance) P-C4' energy: -59.538
flat angles C4'-P-C4' energy: -58.010
flat angles P-C4'-P energy: -45.827
tors. eta vs tors. theta energy: -74.589
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: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -844.278553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.278553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.278553 (E_RNA)
where:
Base-Base interactions energy: -552.775
where: short stacking energy: -252.675
Base-Backbone interact. energy: -0.143
local terms energy: -291.360164
where:
bonds (distance) C4'-P energy: -60.887
bonds (distance) P-C4' energy: -51.180
flat angles C4'-P-C4' energy: -64.984
flat angles P-C4'-P energy: -43.022
tors. eta vs tors. theta energy: -71.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -838.255941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.255941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.255941 (E_RNA)
where:
Base-Base interactions energy: -564.878
where: short stacking energy: -255.501
Base-Backbone interact. energy: -0.905
local terms energy: -272.472564
where:
bonds (distance) C4'-P energy: -49.234
bonds (distance) P-C4' energy: -47.026
flat angles C4'-P-C4' energy: -65.107
flat angles P-C4'-P energy: -38.242
tors. eta vs tors. theta energy: -72.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -801.471221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.471221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.471221 (E_RNA)
where:
Base-Base interactions energy: -532.227
where: short stacking energy: -218.162
Base-Backbone interact. energy: -2.374
local terms energy: -266.869687
where:
bonds (distance) C4'-P energy: -58.474
bonds (distance) P-C4' energy: -53.314
flat angles C4'-P-C4' energy: -52.319
flat angles P-C4'-P energy: -38.428
tors. eta vs tors. theta energy: -64.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -743.818497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.818497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.818497 (E_RNA)
where:
Base-Base interactions energy: -503.014
where: short stacking energy: -202.343
Base-Backbone interact. energy: -1.382
local terms energy: -239.422163
where:
bonds (distance) C4'-P energy: -33.469
bonds (distance) P-C4' energy: -61.979
flat angles C4'-P-C4' energy: -57.962
flat angles P-C4'-P energy: -32.809
tors. eta vs tors. theta energy: -53.203
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: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -534.991912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.991912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.991912 (E_RNA)
where:
Base-Base interactions energy: -332.961
where: short stacking energy: -145.985
Base-Backbone interact. energy: -1.549
local terms energy: -200.481869
where:
bonds (distance) C4'-P energy: -36.737
bonds (distance) P-C4' energy: -51.556
flat angles C4'-P-C4' energy: -47.815
flat angles P-C4'-P energy: -34.211
tors. eta vs tors. theta energy: -30.164
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: 9, replica: 9
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -451.953429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.953429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.953429 (E_RNA)
where:
Base-Base interactions energy: -261.472
where: short stacking energy: -133.574
Base-Backbone interact. energy: -1.756
local terms energy: -188.725609
where:
bonds (distance) C4'-P energy: -42.985
bonds (distance) P-C4' energy: -53.726
flat angles C4'-P-C4' energy: -43.572
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -30.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -457.539506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.539506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.539506 (E_RNA)
where:
Base-Base interactions energy: -293.146
where: short stacking energy: -128.870
Base-Backbone interact. energy: -3.196
local terms energy: -161.197275
where:
bonds (distance) C4'-P energy: -36.874
bonds (distance) P-C4' energy: -47.001
flat angles C4'-P-C4' energy: -41.063
flat angles P-C4'-P energy: -15.900
tors. eta vs tors. theta energy: -20.359
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: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -1038.172829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.172829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.172829 (E_RNA)
where:
Base-Base interactions energy: -721.300
where: short stacking energy: -308.739
Base-Backbone interact. energy: -0.284
local terms energy: -316.589107
where:
bonds (distance) C4'-P energy: -54.667
bonds (distance) P-C4' energy: -58.670
flat angles C4'-P-C4' energy: -63.101
flat angles P-C4'-P energy: -47.554
tors. eta vs tors. theta energy: -92.598
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: 2, replica: 7
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -963.752878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.752878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.752878 (E_RNA)
where:
Base-Base interactions energy: -661.263
where: short stacking energy: -286.811
Base-Backbone interact. energy: -1.292
local terms energy: -301.198580
where:
bonds (distance) C4'-P energy: -49.423
bonds (distance) P-C4' energy: -56.355
flat angles C4'-P-C4' energy: -68.911
flat angles P-C4'-P energy: -42.210
tors. eta vs tors. theta energy: -84.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -895.631851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.631851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.631851 (E_RNA)
where:
Base-Base interactions energy: -618.245
where: short stacking energy: -279.064
Base-Backbone interact. energy: 0.139
local terms energy: -277.526202
where:
bonds (distance) C4'-P energy: -49.804
bonds (distance) P-C4' energy: -48.043
flat angles C4'-P-C4' energy: -61.363
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -75.674
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: 2
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -876.589962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.589962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.589962 (E_RNA)
where:
Base-Base interactions energy: -587.347
where: short stacking energy: -276.805
Base-Backbone interact. energy: -1.033
local terms energy: -288.210204
where:
bonds (distance) C4'-P energy: -50.171
bonds (distance) P-C4' energy: -38.115
flat angles C4'-P-C4' energy: -63.003
flat angles P-C4'-P energy: -50.408
tors. eta vs tors. theta energy: -86.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -833.134482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.134482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.134482 (E_RNA)
where:
Base-Base interactions energy: -566.218
where: short stacking energy: -244.136
Base-Backbone interact. energy: -2.881
local terms energy: -264.035797
where:
bonds (distance) C4'-P energy: -34.003
bonds (distance) P-C4' energy: -54.338
flat angles C4'-P-C4' energy: -64.247
flat angles P-C4'-P energy: -40.230
tors. eta vs tors. theta energy: -71.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -817.616237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.616237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.616237 (E_RNA)
where:
Base-Base interactions energy: -546.892
where: short stacking energy: -243.978
Base-Backbone interact. energy: -0.833
local terms energy: -269.890631
where:
bonds (distance) C4'-P energy: -45.840
bonds (distance) P-C4' energy: -62.202
flat angles C4'-P-C4' energy: -53.441
flat angles P-C4'-P energy: -36.477
tors. eta vs tors. theta energy: -71.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -715.777893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.777893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.777893 (E_RNA)
where:
Base-Base interactions energy: -482.905
where: short stacking energy: -207.442
Base-Backbone interact. energy: -2.843
local terms energy: -230.029097
where:
bonds (distance) C4'-P energy: -42.548
bonds (distance) P-C4' energy: -50.603
flat angles C4'-P-C4' energy: -42.723
flat angles P-C4'-P energy: -34.246
tors. eta vs tors. theta energy: -59.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -517.224785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.224785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.224785 (E_RNA)
where:
Base-Base interactions energy: -306.913
where: short stacking energy: -135.666
Base-Backbone interact. energy: -0.787
local terms energy: -209.524381
where:
bonds (distance) C4'-P energy: -41.759
bonds (distance) P-C4' energy: -48.865
flat angles C4'-P-C4' energy: -51.060
flat angles P-C4'-P energy: -43.075
tors. eta vs tors. theta energy: -24.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -451.884228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.884228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.884228 (E_RNA)
where:
Base-Base interactions energy: -275.430
where: short stacking energy: -116.202
Base-Backbone interact. energy: 1.639
local terms energy: -178.093844
where:
bonds (distance) C4'-P energy: -46.771
bonds (distance) P-C4' energy: -44.509
flat angles C4'-P-C4' energy: -43.623
flat angles P-C4'-P energy: -36.923
tors. eta vs tors. theta energy: -6.267
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: 1
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -494.315684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.315684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.315684 (E_RNA)
where:
Base-Base interactions energy: -277.369
where: short stacking energy: -140.156
Base-Backbone interact. energy: -1.002
local terms energy: -215.944514
where:
bonds (distance) C4'-P energy: -52.279
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -50.291
flat angles P-C4'-P energy: -31.369
tors. eta vs tors. theta energy: -28.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1033.200997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.200997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.200997 (E_RNA)
where:
Base-Base interactions energy: -706.827
where: short stacking energy: -299.089
Base-Backbone interact. energy: -0.898
local terms energy: -325.475396
where:
bonds (distance) C4'-P energy: -57.532
bonds (distance) P-C4' energy: -66.595
flat angles C4'-P-C4' energy: -63.592
flat angles P-C4'-P energy: -49.570
tors. eta vs tors. theta energy: -88.187
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: 7
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -972.685396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.685396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.685396 (E_RNA)
where:
Base-Base interactions energy: -665.019
where: short stacking energy: -291.013
Base-Backbone interact. energy: -0.280
local terms energy: -307.386089
where:
bonds (distance) C4'-P energy: -51.835
bonds (distance) P-C4' energy: -56.597
flat angles C4'-P-C4' energy: -70.408
flat angles P-C4'-P energy: -35.887
tors. eta vs tors. theta energy: -92.658
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: 244
Temperature: 1.000000
Total energy: -908.826454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.826454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.826454 (E_RNA)
where:
Base-Base interactions energy: -605.721
where: short stacking energy: -277.464
Base-Backbone interact. energy: -1.405
local terms energy: -301.699876
where:
bonds (distance) C4'-P energy: -54.975
bonds (distance) P-C4' energy: -57.972
flat angles C4'-P-C4' energy: -65.159
flat angles P-C4'-P energy: -36.769
tors. eta vs tors. theta energy: -86.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -887.830251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.830251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.830251 (E_RNA)
where:
Base-Base interactions energy: -594.378
where: short stacking energy: -258.664
Base-Backbone interact. energy: -0.096
local terms energy: -293.356119
where:
bonds (distance) C4'-P energy: -58.645
bonds (distance) P-C4' energy: -56.136
flat angles C4'-P-C4' energy: -58.080
flat angles P-C4'-P energy: -38.632
tors. eta vs tors. theta energy: -81.863
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: 10
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -859.487408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.487408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.487408 (E_RNA)
where:
Base-Base interactions energy: -591.351
where: short stacking energy: -253.312
Base-Backbone interact. energy: -0.528
local terms energy: -267.608878
where:
bonds (distance) C4'-P energy: -41.954
bonds (distance) P-C4' energy: -48.353
flat angles C4'-P-C4' energy: -57.914
flat angles P-C4'-P energy: -38.333
tors. eta vs tors. theta energy: -81.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -740.378524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.378524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.378524 (E_RNA)
where:
Base-Base interactions energy: -505.452
where: short stacking energy: -222.400
Base-Backbone interact. energy: -0.765
local terms energy: -234.161530
where:
bonds (distance) C4'-P energy: -39.438
bonds (distance) P-C4' energy: -44.725
flat angles C4'-P-C4' energy: -55.948
flat angles P-C4'-P energy: -39.881
tors. eta vs tors. theta energy: -54.169
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: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -730.728260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.728260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.728260 (E_RNA)
where:
Base-Base interactions energy: -493.541
where: short stacking energy: -213.860
Base-Backbone interact. energy: 0.966
local terms energy: -238.153985
where:
bonds (distance) C4'-P energy: -37.609
bonds (distance) P-C4' energy: -53.739
flat angles C4'-P-C4' energy: -54.589
flat angles P-C4'-P energy: -33.399
tors. eta vs tors. theta energy: -58.818
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: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -486.395002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.395002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.395002 (E_RNA)
where:
Base-Base interactions energy: -263.964
where: short stacking energy: -142.734
Base-Backbone interact. energy: 0.424
local terms energy: -222.854445
where:
bonds (distance) C4'-P energy: -41.003
bonds (distance) P-C4' energy: -60.397
flat angles C4'-P-C4' energy: -49.165
flat angles P-C4'-P energy: -40.878
tors. eta vs tors. theta energy: -31.411
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: 9, replica: 1
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -472.569469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.569469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.569469 (E_RNA)
where:
Base-Base interactions energy: -272.217
where: short stacking energy: -140.750
Base-Backbone interact. energy: -0.365
local terms energy: -199.986742
where:
bonds (distance) C4'-P energy: -48.703
bonds (distance) P-C4' energy: -42.669
flat angles C4'-P-C4' energy: -46.294
flat angles P-C4'-P energy: -35.953
tors. eta vs tors. theta energy: -26.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -426.071602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.071602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.071602 (E_RNA)
where:
Base-Base interactions energy: -243.765
where: short stacking energy: -126.750
Base-Backbone interact. energy: 3.001
local terms energy: -185.308449
where:
bonds (distance) C4'-P energy: -49.015
bonds (distance) P-C4' energy: -53.805
flat angles C4'-P-C4' energy: -44.200
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -12.018
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: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1033.691972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.691972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.691972 (E_RNA)
where:
Base-Base interactions energy: -717.621
where: short stacking energy: -315.682
Base-Backbone interact. energy: -0.422
local terms energy: -315.648454
where:
bonds (distance) C4'-P energy: -52.382
bonds (distance) P-C4' energy: -48.839
flat angles C4'-P-C4' energy: -65.110
flat angles P-C4'-P energy: -56.516
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: 2, replica: 7
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -967.014213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.014213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.014213 (E_RNA)
where:
Base-Base interactions energy: -667.416
where: short stacking energy: -289.253
Base-Backbone interact. energy: -1.105
local terms energy: -298.493036
where:
bonds (distance) C4'-P energy: -53.627
bonds (distance) P-C4' energy: -54.159
flat angles C4'-P-C4' energy: -58.629
flat angles P-C4'-P energy: -38.205
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: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -871.441701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.441701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.441701 (E_RNA)
where:
Base-Base interactions energy: -594.812
where: short stacking energy: -275.007
Base-Backbone interact. energy: 0.739
local terms energy: -277.368884
where:
bonds (distance) C4'-P energy: -45.962
bonds (distance) P-C4' energy: -51.506
flat angles C4'-P-C4' energy: -61.485
flat angles P-C4'-P energy: -38.871
tors. eta vs tors. theta energy: -79.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -881.450856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.450856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.450856 (E_RNA)
where:
Base-Base interactions energy: -599.411
where: short stacking energy: -255.448
Base-Backbone interact. energy: 1.799
local terms energy: -283.838830
where:
bonds (distance) C4'-P energy: -57.482
bonds (distance) P-C4' energy: -57.721
flat angles C4'-P-C4' energy: -64.671
flat angles P-C4'-P energy: -37.616
tors. eta vs tors. theta energy: -66.349
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: 10
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -845.838121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.838121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.838121 (E_RNA)
where:
Base-Base interactions energy: -561.341
where: short stacking energy: -239.390
Base-Backbone interact. energy: -1.664
local terms energy: -282.833525
where:
bonds (distance) C4'-P energy: -60.022
bonds (distance) P-C4' energy: -48.237
flat angles C4'-P-C4' energy: -61.396
flat angles P-C4'-P energy: -35.672
tors. eta vs tors. theta energy: -77.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -782.535891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.535891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.535891 (E_RNA)
where:
Base-Base interactions energy: -513.076
where: short stacking energy: -222.312
Base-Backbone interact. energy: 0.960
local terms energy: -270.419159
where:
bonds (distance) C4'-P energy: -41.646
bonds (distance) P-C4' energy: -55.969
flat angles C4'-P-C4' energy: -63.369
flat angles P-C4'-P energy: -44.287
tors. eta vs tors. theta energy: -65.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -741.580815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.580815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.580815 (E_RNA)
where:
Base-Base interactions energy: -517.358
where: short stacking energy: -218.633
Base-Backbone interact. energy: -0.730
local terms energy: -223.493026
where:
bonds (distance) C4'-P energy: -38.342
bonds (distance) P-C4' energy: -52.677
flat angles C4'-P-C4' energy: -49.925
flat angles P-C4'-P energy: -33.739
tors. eta vs tors. theta energy: -48.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -516.736769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.736769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.736769 (E_RNA)
where:
Base-Base interactions energy: -297.736
where: short stacking energy: -157.923
Base-Backbone interact. energy: -1.359
local terms energy: -217.641804
where:
bonds (distance) C4'-P energy: -47.851
bonds (distance) P-C4' energy: -51.298
flat angles C4'-P-C4' energy: -49.618
flat angles P-C4'-P energy: -35.659
tors. eta vs tors. theta energy: -33.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -466.299334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.299334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.299334 (E_RNA)
where:
Base-Base interactions energy: -264.963
where: short stacking energy: -143.618
Base-Backbone interact. energy: -1.721
local terms energy: -199.615269
where:
bonds (distance) C4'-P energy: -47.194
bonds (distance) P-C4' energy: -39.895
flat angles C4'-P-C4' energy: -47.687
flat angles P-C4'-P energy: -38.162
tors. eta vs tors. theta energy: -26.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -472.312527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.312527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.312527 (E_RNA)
where:
Base-Base interactions energy: -275.525
where: short stacking energy: -140.866
Base-Backbone interact. energy: -0.165
local terms energy: -196.622758
where:
bonds (distance) C4'-P energy: -58.192
bonds (distance) P-C4' energy: -41.563
flat angles C4'-P-C4' energy: -51.883
flat angles P-C4'-P energy: -29.863
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1031.334737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.334737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.334737 (E_RNA)
where:
Base-Base interactions energy: -718.622
where: short stacking energy: -306.337
Base-Backbone interact. energy: -0.691
local terms energy: -312.021944
where:
bonds (distance) C4'-P energy: -59.902
bonds (distance) P-C4' energy: -54.360
flat angles C4'-P-C4' energy: -64.081
flat angles P-C4'-P energy: -42.091
tors. eta vs tors. theta energy: -91.588
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: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -971.015244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.015244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.015244 (E_RNA)
where:
Base-Base interactions energy: -680.323
where: short stacking energy: -280.387
Base-Backbone interact. energy: -1.582
local terms energy: -289.110585
where:
bonds (distance) C4'-P energy: -57.105
bonds (distance) P-C4' energy: -48.957
flat angles C4'-P-C4' energy: -59.214
flat angles P-C4'-P energy: -40.524
tors. eta vs tors. theta energy: -83.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -866.210851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.210851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.210851 (E_RNA)
where:
Base-Base interactions energy: -568.467
where: short stacking energy: -261.977
Base-Backbone interact. energy: 0.751
local terms energy: -298.494859
where:
bonds (distance) C4'-P energy: -54.639
bonds (distance) P-C4' energy: -60.216
flat angles C4'-P-C4' energy: -61.216
flat angles P-C4'-P energy: -40.883
tors. eta vs tors. theta energy: -81.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -856.717405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.717405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.717405 (E_RNA)
where:
Base-Base interactions energy: -595.789
where: short stacking energy: -255.456
Base-Backbone interact. energy: -0.873
local terms energy: -260.056182
where:
bonds (distance) C4'-P energy: -52.642
bonds (distance) P-C4' energy: -41.367
flat angles C4'-P-C4' energy: -62.536
flat angles P-C4'-P energy: -33.803
tors. eta vs tors. theta energy: -69.708
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: 5, replica: 10
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -822.767531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.767531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.767531 (E_RNA)
where:
Base-Base interactions energy: -557.905
where: short stacking energy: -234.545
Base-Backbone interact. energy: -0.901
local terms energy: -263.960927
where:
bonds (distance) C4'-P energy: -49.470
bonds (distance) P-C4' energy: -52.505
flat angles C4'-P-C4' energy: -55.656
flat angles P-C4'-P energy: -35.158
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: 6, replica: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -782.064670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.064670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.064670 (E_RNA)
where:
Base-Base interactions energy: -517.103
where: short stacking energy: -229.045
Base-Backbone interact. energy: 0.601
local terms energy: -265.563213
where:
bonds (distance) C4'-P energy: -51.501
bonds (distance) P-C4' energy: -62.853
flat angles C4'-P-C4' energy: -62.334
flat angles P-C4'-P energy: -29.333
tors. eta vs tors. theta energy: -59.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -736.535146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.535146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.535146 (E_RNA)
where:
Base-Base interactions energy: -494.346
where: short stacking energy: -227.079
Base-Backbone interact. energy: -1.250
local terms energy: -240.940109
where:
bonds (distance) C4'-P energy: -45.953
bonds (distance) P-C4' energy: -48.281
flat angles C4'-P-C4' energy: -49.231
flat angles P-C4'-P energy: -24.841
tors. eta vs tors. theta energy: -72.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -491.363201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -491.363201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -491.363201 (E_RNA)
where:
Base-Base interactions energy: -283.872
where: short stacking energy: -149.045
Base-Backbone interact. energy: 3.633
local terms energy: -211.123457
where:
bonds (distance) C4'-P energy: -51.269
bonds (distance) P-C4' energy: -53.404
flat angles C4'-P-C4' energy: -46.498
flat angles P-C4'-P energy: -34.193
tors. eta vs tors. theta energy: -25.759
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: 9
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -426.746989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.746989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.746989 (E_RNA)
where:
Base-Base interactions energy: -245.156
where: short stacking energy: -109.610
Base-Backbone interact. energy: -0.994
local terms energy: -180.597434
where:
bonds (distance) C4'-P energy: -39.999
bonds (distance) P-C4' energy: -59.216
flat angles C4'-P-C4' energy: -49.446
flat angles P-C4'-P energy: -28.389
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -467.262387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.262387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.262387 (E_RNA)
where:
Base-Base interactions energy: -290.875
where: short stacking energy: -145.643
Base-Backbone interact. energy: -1.573
local terms energy: -174.814025
where:
bonds (distance) C4'-P energy: -31.953
bonds (distance) P-C4' energy: -51.068
flat angles C4'-P-C4' energy: -48.848
flat angles P-C4'-P energy: -28.218
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1024.785176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.785176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.785176 (E_RNA)
where:
Base-Base interactions energy: -718.613
where: short stacking energy: -292.749
Base-Backbone interact. energy: -3.004
local terms energy: -303.167828
where:
bonds (distance) C4'-P energy: -54.358
bonds (distance) P-C4' energy: -57.310
flat angles C4'-P-C4' energy: -64.032
flat angles P-C4'-P energy: -46.881
tors. eta vs tors. theta energy: -80.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -977.847192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.847192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.847192 (E_RNA)
where:
Base-Base interactions energy: -663.777
where: short stacking energy: -279.040
Base-Backbone interact. energy: -0.662
local terms energy: -313.407689
where:
bonds (distance) C4'-P energy: -55.586
bonds (distance) P-C4' energy: -61.589
flat angles C4'-P-C4' energy: -62.169
flat angles P-C4'-P energy: -48.221
tors. eta vs tors. theta energy: -85.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -876.674029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.674029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.674029 (E_RNA)
where:
Base-Base interactions energy: -566.039
where: short stacking energy: -278.757
Base-Backbone interact. energy: -0.960
local terms energy: -309.674900
where:
bonds (distance) C4'-P energy: -62.128
bonds (distance) P-C4' energy: -53.378
flat angles C4'-P-C4' energy: -69.052
flat angles P-C4'-P energy: -41.561
tors. eta vs tors. theta energy: -83.556
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: 247
Temperature: 1.050000
Total energy: -903.015724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.015724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.015724 (E_RNA)
where:
Base-Base interactions energy: -608.464
where: short stacking energy: -282.546
Base-Backbone interact. energy: -1.355
local terms energy: -293.195928
where:
bonds (distance) C4'-P energy: -51.847
bonds (distance) P-C4' energy: -50.966
flat angles C4'-P-C4' energy: -69.446
flat angles P-C4'-P energy: -37.243
tors. eta vs tors. theta energy: -83.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -837.569561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.569561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.569561 (E_RNA)
where:
Base-Base interactions energy: -571.597
where: short stacking energy: -247.440
Base-Backbone interact. energy: -0.639
local terms energy: -265.333795
where:
bonds (distance) C4'-P energy: -49.502
bonds (distance) P-C4' energy: -45.169
flat angles C4'-P-C4' energy: -56.103
flat angles P-C4'-P energy: -37.676
tors. eta vs tors. theta energy: -76.885
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: 247
Temperature: 1.150000
Total energy: -737.787691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.787691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.787691 (E_RNA)
where:
Base-Base interactions energy: -492.456
where: short stacking energy: -187.918
Base-Backbone interact. energy: -2.643
local terms energy: -242.689218
where:
bonds (distance) C4'-P energy: -52.330
bonds (distance) P-C4' energy: -58.961
flat angles C4'-P-C4' energy: -46.500
flat angles P-C4'-P energy: -36.146
tors. eta vs tors. theta energy: -48.753
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: 247
Temperature: 1.200000
Total energy: -713.596212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.596212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.596212 (E_RNA)
where:
Base-Base interactions energy: -474.479
where: short stacking energy: -202.814
Base-Backbone interact. energy: 2.221
local terms energy: -241.338174
where:
bonds (distance) C4'-P energy: -44.501
bonds (distance) P-C4' energy: -53.674
flat angles C4'-P-C4' energy: -56.298
flat angles P-C4'-P energy: -38.805
tors. eta vs tors. theta energy: -48.059
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: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -494.499144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.499144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.499144 (E_RNA)
where:
Base-Base interactions energy: -296.415
where: short stacking energy: -141.643
Base-Backbone interact. energy: -0.681
local terms energy: -197.403523
where:
bonds (distance) C4'-P energy: -46.908
bonds (distance) P-C4' energy: -49.556
flat angles C4'-P-C4' energy: -55.371
flat angles P-C4'-P energy: -26.095
tors. eta vs tors. theta energy: -19.474
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: 9
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -432.468682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.468682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.468682 (E_RNA)
where:
Base-Base interactions energy: -235.221
where: short stacking energy: -124.853
Base-Backbone interact. energy: -0.718
local terms energy: -196.529988
where:
bonds (distance) C4'-P energy: -55.433
bonds (distance) P-C4' energy: -57.782
flat angles C4'-P-C4' energy: -40.179
flat angles P-C4'-P energy: -30.345
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -423.925625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -423.925625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -423.925625 (E_RNA)
where:
Base-Base interactions energy: -239.371
where: short stacking energy: -137.738
Base-Backbone interact. energy: 1.729
local terms energy: -186.283702
where:
bonds (distance) C4'-P energy: -37.219
bonds (distance) P-C4' energy: -52.053
flat angles C4'-P-C4' energy: -41.047
flat angles P-C4'-P energy: -33.531
tors. eta vs tors. theta energy: -22.434
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: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1035.934353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.934353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.934353 (E_RNA)
where:
Base-Base interactions energy: -736.593
where: short stacking energy: -310.060
Base-Backbone interact. energy: 0.056
local terms energy: -299.396621
where:
bonds (distance) C4'-P energy: -53.540
bonds (distance) P-C4' energy: -56.271
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -36.117
tors. eta vs tors. theta energy: -92.854
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: 248
Temperature: 0.950000
Total energy: -967.329647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.329647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.329647 (E_RNA)
where:
Base-Base interactions energy: -653.633
where: short stacking energy: -294.465
Base-Backbone interact. energy: -0.337
local terms energy: -313.358980
where:
bonds (distance) C4'-P energy: -51.714
bonds (distance) P-C4' energy: -64.361
flat angles C4'-P-C4' energy: -57.849
flat angles P-C4'-P energy: -50.446
tors. eta vs tors. theta energy: -88.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -923.834964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.834964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.834964 (E_RNA)
where:
Base-Base interactions energy: -637.553
where: short stacking energy: -291.671
Base-Backbone interact. energy: -1.746
local terms energy: -284.536328
where:
bonds (distance) C4'-P energy: -46.321
bonds (distance) P-C4' energy: -53.461
flat angles C4'-P-C4' energy: -61.276
flat angles P-C4'-P energy: -41.011
tors. eta vs tors. theta energy: -82.467
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: 2
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -850.252786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.252786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.252786 (E_RNA)
where:
Base-Base interactions energy: -584.614
where: short stacking energy: -233.129
Base-Backbone interact. energy: -1.884
local terms energy: -263.754750
where:
bonds (distance) C4'-P energy: -41.010
bonds (distance) P-C4' energy: -48.134
flat angles C4'-P-C4' energy: -62.326
flat angles P-C4'-P energy: -40.961
tors. eta vs tors. theta energy: -71.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -812.432589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.432589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.432589 (E_RNA)
where:
Base-Base interactions energy: -558.981
where: short stacking energy: -228.154
Base-Backbone interact. energy: -0.320
local terms energy: -253.131841
where:
bonds (distance) C4'-P energy: -48.793
bonds (distance) P-C4' energy: -54.204
flat angles C4'-P-C4' energy: -53.743
flat angles P-C4'-P energy: -34.635
tors. eta vs tors. theta energy: -61.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -804.507433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.507433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.507433 (E_RNA)
where:
Base-Base interactions energy: -538.730
where: short stacking energy: -225.791
Base-Backbone interact. energy: 1.842
local terms energy: -267.619177
where:
bonds (distance) C4'-P energy: -47.988
bonds (distance) P-C4' energy: -61.051
flat angles C4'-P-C4' energy: -57.443
flat angles P-C4'-P energy: -32.996
tors. eta vs tors. theta energy: -68.140
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: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -681.113802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.113802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.113802 (E_RNA)
where:
Base-Base interactions energy: -467.535
where: short stacking energy: -188.429
Base-Backbone interact. energy: -0.543
local terms energy: -213.035324
where:
bonds (distance) C4'-P energy: -47.225
bonds (distance) P-C4' energy: -55.577
flat angles C4'-P-C4' energy: -42.585
flat angles P-C4'-P energy: -33.068
tors. eta vs tors. theta energy: -34.580
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: 6
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -489.656234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -489.656234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -489.656234 (E_RNA)
where:
Base-Base interactions energy: -299.792
where: short stacking energy: -144.271
Base-Backbone interact. energy: -2.238
local terms energy: -187.626180
where:
bonds (distance) C4'-P energy: -53.241
bonds (distance) P-C4' energy: -47.197
flat angles C4'-P-C4' energy: -41.396
flat angles P-C4'-P energy: -27.382
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -467.375335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.375335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.375335 (E_RNA)
where:
Base-Base interactions energy: -291.348
where: short stacking energy: -121.880
Base-Backbone interact. energy: -2.116
local terms energy: -173.911475
where:
bonds (distance) C4'-P energy: -41.219
bonds (distance) P-C4' energy: -57.436
flat angles C4'-P-C4' energy: -50.816
flat angles P-C4'-P energy: -19.528
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -391.059433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -391.059433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -391.059433 (E_RNA)
where:
Base-Base interactions energy: -218.948
where: short stacking energy: -100.323
Base-Backbone interact. energy: 0.002
local terms energy: -172.113267
where:
bonds (distance) C4'-P energy: -50.684
bonds (distance) P-C4' energy: -52.154
flat angles C4'-P-C4' energy: -42.233
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -9.822
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: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1014.376033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.376033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.376033 (E_RNA)
where:
Base-Base interactions energy: -710.978
where: short stacking energy: -299.320
Base-Backbone interact. energy: 1.295
local terms energy: -304.692435
where:
bonds (distance) C4'-P energy: -52.965
bonds (distance) P-C4' energy: -55.255
flat angles C4'-P-C4' energy: -59.817
flat angles P-C4'-P energy: -47.170
tors. eta vs tors. theta energy: -89.485
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: 2, replica: 8
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -916.999184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.999184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.999184 (E_RNA)
where:
Base-Base interactions energy: -619.480
where: short stacking energy: -282.757
Base-Backbone interact. energy: 1.541
local terms energy: -299.060688
where:
bonds (distance) C4'-P energy: -52.559
bonds (distance) P-C4' energy: -51.201
flat angles C4'-P-C4' energy: -65.796
flat angles P-C4'-P energy: -43.328
tors. eta vs tors. theta energy: -86.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -958.378432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.378432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.378432 (E_RNA)
where:
Base-Base interactions energy: -653.567
where: short stacking energy: -286.588
Base-Backbone interact. energy: -1.620
local terms energy: -303.190934
where:
bonds (distance) C4'-P energy: -53.979
bonds (distance) P-C4' energy: -60.246
flat angles C4'-P-C4' energy: -60.453
flat angles P-C4'-P energy: -39.014
tors. eta vs tors. theta energy: -89.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -869.968050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.968050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.968050 (E_RNA)
where:
Base-Base interactions energy: -597.178
where: short stacking energy: -256.165
Base-Backbone interact. energy: -0.838
local terms energy: -271.951798
where:
bonds (distance) C4'-P energy: -49.094
bonds (distance) P-C4' energy: -44.471
flat angles C4'-P-C4' energy: -62.941
flat angles P-C4'-P energy: -34.301
tors. eta vs tors. theta energy: -81.143
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: 5
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -828.943249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.943249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.943249 (E_RNA)
where:
Base-Base interactions energy: -558.929
where: short stacking energy: -228.623
Base-Backbone interact. energy: -2.470
local terms energy: -267.544419
where:
bonds (distance) C4'-P energy: -55.121
bonds (distance) P-C4' energy: -55.603
flat angles C4'-P-C4' energy: -51.822
flat angles P-C4'-P energy: -33.544
tors. eta vs tors. theta energy: -71.453
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: 6, replica: 10
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -816.363642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.363642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.363642 (E_RNA)
where:
Base-Base interactions energy: -545.917
where: short stacking energy: -236.959
Base-Backbone interact. energy: -0.262
local terms energy: -270.184716
where:
bonds (distance) C4'-P energy: -48.465
bonds (distance) P-C4' energy: -53.180
flat angles C4'-P-C4' energy: -64.886
flat angles P-C4'-P energy: -34.326
tors. eta vs tors. theta energy: -69.328
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: 3
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -726.990146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.990146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.990146 (E_RNA)
where:
Base-Base interactions energy: -483.225
where: short stacking energy: -217.665
Base-Backbone interact. energy: 1.090
local terms energy: -244.854557
where:
bonds (distance) C4'-P energy: -48.613
bonds (distance) P-C4' energy: -47.448
flat angles C4'-P-C4' energy: -60.889
flat angles P-C4'-P energy: -30.901
tors. eta vs tors. theta energy: -57.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -509.783683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.783683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.783683 (E_RNA)
where:
Base-Base interactions energy: -309.858
where: short stacking energy: -133.580
Base-Backbone interact. energy: -0.430
local terms energy: -199.495353
where:
bonds (distance) C4'-P energy: -45.997
bonds (distance) P-C4' energy: -53.109
flat angles C4'-P-C4' energy: -43.017
flat angles P-C4'-P energy: -31.162
tors. eta vs tors. theta energy: -26.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -456.143894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.143894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.143894 (E_RNA)
where:
Base-Base interactions energy: -268.798
where: short stacking energy: -144.349
Base-Backbone interact. energy: 0.266
local terms energy: -187.611596
where:
bonds (distance) C4'-P energy: -42.774
bonds (distance) P-C4' energy: -46.725
flat angles C4'-P-C4' energy: -47.627
flat angles P-C4'-P energy: -21.590
tors. eta vs tors. theta energy: -28.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -460.431068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.431068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.431068 (E_RNA)
where:
Base-Base interactions energy: -295.323
where: short stacking energy: -156.208
Base-Backbone interact. energy: 2.292
local terms energy: -167.400124
where:
bonds (distance) C4'-P energy: -35.644
bonds (distance) P-C4' energy: -44.703
flat angles C4'-P-C4' energy: -40.197
flat angles P-C4'-P energy: -21.474
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: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1038.007114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.007114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.007114 (E_RNA)
where:
Base-Base interactions energy: -716.634
where: short stacking energy: -296.201
Base-Backbone interact. energy: 0.075
local terms energy: -321.447751
where:
bonds (distance) C4'-P energy: -57.520
bonds (distance) P-C4' energy: -62.579
flat angles C4'-P-C4' energy: -68.879
flat angles P-C4'-P energy: -46.375
tors. eta vs tors. theta energy: -86.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -912.678018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.678018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.678018 (E_RNA)
where:
Base-Base interactions energy: -618.386
where: short stacking energy: -297.816
Base-Backbone interact. energy: -0.869
local terms energy: -293.422347
where:
bonds (distance) C4'-P energy: -60.645
bonds (distance) P-C4' energy: -48.466
flat angles C4'-P-C4' energy: -59.322
flat angles P-C4'-P energy: -46.746
tors. eta vs tors. theta energy: -78.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -949.913670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.913670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.913670 (E_RNA)
where:
Base-Base interactions energy: -660.201
where: short stacking energy: -278.004
Base-Backbone interact. energy: -1.615
local terms energy: -288.096832
where:
bonds (distance) C4'-P energy: -52.049
bonds (distance) P-C4' energy: -53.054
flat angles C4'-P-C4' energy: -56.896
flat angles P-C4'-P energy: -40.881
tors. eta vs tors. theta energy: -85.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -900.540027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.540027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.540027 (E_RNA)
where:
Base-Base interactions energy: -609.582
where: short stacking energy: -281.866
Base-Backbone interact. energy: -1.142
local terms energy: -289.815896
where:
bonds (distance) C4'-P energy: -50.204
bonds (distance) P-C4' energy: -53.850
flat angles C4'-P-C4' energy: -60.727
flat angles P-C4'-P energy: -40.335
tors. eta vs tors. theta energy: -84.700
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: 5
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -810.302195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.302195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.302195 (E_RNA)
where:
Base-Base interactions energy: -543.575
where: short stacking energy: -236.665
Base-Backbone interact. energy: -0.428
local terms energy: -266.299888
where:
bonds (distance) C4'-P energy: -48.760
bonds (distance) P-C4' energy: -56.079
flat angles C4'-P-C4' energy: -58.516
flat angles P-C4'-P energy: -30.122
tors. eta vs tors. theta energy: -72.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -815.046846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.046846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.046846 (E_RNA)
where:
Base-Base interactions energy: -549.064
where: short stacking energy: -245.846
Base-Backbone interact. energy: 0.026
local terms energy: -266.008916
where:
bonds (distance) C4'-P energy: -57.944
bonds (distance) P-C4' energy: -38.813
flat angles C4'-P-C4' energy: -60.454
flat angles P-C4'-P energy: -37.287
tors. eta vs tors. theta energy: -71.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -707.632949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.632949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.632949 (E_RNA)
where:
Base-Base interactions energy: -464.674
where: short stacking energy: -202.786
Base-Backbone interact. energy: -1.951
local terms energy: -241.008754
where:
bonds (distance) C4'-P energy: -35.261
bonds (distance) P-C4' energy: -56.172
flat angles C4'-P-C4' energy: -52.285
flat angles P-C4'-P energy: -40.160
tors. eta vs tors. theta energy: -57.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -549.585260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.585260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.585260 (E_RNA)
where:
Base-Base interactions energy: -345.561
where: short stacking energy: -143.404
Base-Backbone interact. energy: 0.670
local terms energy: -204.694334
where:
bonds (distance) C4'-P energy: -44.744
bonds (distance) P-C4' energy: -53.048
flat angles C4'-P-C4' energy: -36.236
flat angles P-C4'-P energy: -42.543
tors. eta vs tors. theta energy: -28.123
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: 1
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -469.765158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.765158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.765158 (E_RNA)
where:
Base-Base interactions energy: -271.321
where: short stacking energy: -151.150
Base-Backbone interact. energy: -1.648
local terms energy: -196.795540
where:
bonds (distance) C4'-P energy: -49.674
bonds (distance) P-C4' energy: -51.217
flat angles C4'-P-C4' energy: -42.797
flat angles P-C4'-P energy: -20.012
tors. eta vs tors. theta energy: -33.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -439.758929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -439.758929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -439.758929 (E_RNA)
where:
Base-Base interactions energy: -249.688
where: short stacking energy: -126.229
Base-Backbone interact. energy: 1.850
local terms energy: -191.920575
where:
bonds (distance) C4'-P energy: -50.183
bonds (distance) P-C4' energy: -51.678
flat angles C4'-P-C4' energy: -40.696
flat angles P-C4'-P energy: -32.961
tors. eta vs tors. theta energy: -16.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1026.661202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.661202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.661202 (E_RNA)
where:
Base-Base interactions energy: -712.142
where: short stacking energy: -295.101
Base-Backbone interact. energy: -0.412
local terms energy: -314.106929
where:
bonds (distance) C4'-P energy: -49.916
bonds (distance) P-C4' energy: -51.906
flat angles C4'-P-C4' energy: -70.137
flat angles P-C4'-P energy: -52.056
tors. eta vs tors. theta energy: -90.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -960.480860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.480860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.480860 (E_RNA)
where:
Base-Base interactions energy: -670.697
where: short stacking energy: -299.860
Base-Backbone interact. energy: -0.313
local terms energy: -289.471245
where:
bonds (distance) C4'-P energy: -54.504
bonds (distance) P-C4' energy: -54.037
flat angles C4'-P-C4' energy: -64.108
flat angles P-C4'-P energy: -35.950
tors. eta vs tors. theta energy: -80.872
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: 8
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -901.734608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.734608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.734608 (E_RNA)
where:
Base-Base interactions energy: -598.454
where: short stacking energy: -266.688
Base-Backbone interact. energy: -0.673
local terms energy: -302.606683
where:
bonds (distance) C4'-P energy: -58.940
bonds (distance) P-C4' energy: -55.194
flat angles C4'-P-C4' energy: -63.494
flat angles P-C4'-P energy: -41.301
tors. eta vs tors. theta energy: -83.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -876.320947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.320947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.320947 (E_RNA)
where:
Base-Base interactions energy: -606.547
where: short stacking energy: -255.607
Base-Backbone interact. energy: -2.747
local terms energy: -267.026442
where:
bonds (distance) C4'-P energy: -39.315
bonds (distance) P-C4' energy: -51.518
flat angles C4'-P-C4' energy: -64.671
flat angles P-C4'-P energy: -33.712
tors. eta vs tors. theta energy: -77.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -775.004672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.004672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.004672 (E_RNA)
where:
Base-Base interactions energy: -527.062
where: short stacking energy: -221.471
Base-Backbone interact. energy: -0.853
local terms energy: -247.089892
where:
bonds (distance) C4'-P energy: -50.738
bonds (distance) P-C4' energy: -49.292
flat angles C4'-P-C4' energy: -51.883
flat angles P-C4'-P energy: -38.119
tors. eta vs tors. theta energy: -57.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -770.180669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.180669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.180669 (E_RNA)
where:
Base-Base interactions energy: -533.905
where: short stacking energy: -233.732
Base-Backbone interact. energy: -0.538
local terms energy: -235.737598
where:
bonds (distance) C4'-P energy: -33.917
bonds (distance) P-C4' energy: -48.671
flat angles C4'-P-C4' energy: -54.193
flat angles P-C4'-P energy: -32.728
tors. eta vs tors. theta energy: -66.229
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: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -707.538476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.538476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.538476 (E_RNA)
where:
Base-Base interactions energy: -463.744
where: short stacking energy: -210.962
Base-Backbone interact. energy: -0.905
local terms energy: -242.889048
where:
bonds (distance) C4'-P energy: -45.441
bonds (distance) P-C4' energy: -47.589
flat angles C4'-P-C4' energy: -49.908
flat angles P-C4'-P energy: -33.809
tors. eta vs tors. theta energy: -66.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -573.968464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.968464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.968464 (E_RNA)
where:
Base-Base interactions energy: -366.489
where: short stacking energy: -168.156
Base-Backbone interact. energy: -2.806
local terms energy: -204.673508
where:
bonds (distance) C4'-P energy: -52.928
bonds (distance) P-C4' energy: -38.989
flat angles C4'-P-C4' energy: -43.909
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: -31.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -460.771501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.771501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.771501 (E_RNA)
where:
Base-Base interactions energy: -258.578
where: short stacking energy: -127.167
Base-Backbone interact. energy: -1.224
local terms energy: -200.969769
where:
bonds (distance) C4'-P energy: -55.492
bonds (distance) P-C4' energy: -50.933
flat angles C4'-P-C4' energy: -46.231
flat angles P-C4'-P energy: -26.933
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -452.760486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.760486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.760486 (E_RNA)
where:
Base-Base interactions energy: -263.800
where: short stacking energy: -131.120
Base-Backbone interact. energy: -0.754
local terms energy: -188.206378
where:
bonds (distance) C4'-P energy: -35.323
bonds (distance) P-C4' energy: -48.081
flat angles C4'-P-C4' energy: -51.455
flat angles P-C4'-P energy: -28.508
tors. eta vs tors. theta energy: -24.840
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: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1038.731854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.731854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.731854 (E_RNA)
where:
Base-Base interactions energy: -712.408
where: short stacking energy: -293.258
Base-Backbone interact. energy: -0.945
local terms energy: -325.378926
where:
bonds (distance) C4'-P energy: -62.369
bonds (distance) P-C4' energy: -61.572
flat angles C4'-P-C4' energy: -66.538
flat angles P-C4'-P energy: -45.976
tors. eta vs tors. theta energy: -88.924
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: 252
Temperature: 0.950000
Total energy: -957.060165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.060165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.060165 (E_RNA)
where:
Base-Base interactions energy: -662.782
where: short stacking energy: -290.852
Base-Backbone interact. energy: -1.097
local terms energy: -293.180792
where:
bonds (distance) C4'-P energy: -48.478
bonds (distance) P-C4' energy: -54.901
flat angles C4'-P-C4' energy: -64.121
flat angles P-C4'-P energy: -39.579
tors. eta vs tors. theta energy: -86.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -910.385513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.385513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.385513 (E_RNA)
where:
Base-Base interactions energy: -632.581
where: short stacking energy: -279.097
Base-Backbone interact. energy: -1.148
local terms energy: -276.656292
where:
bonds (distance) C4'-P energy: -50.279
bonds (distance) P-C4' energy: -43.634
flat angles C4'-P-C4' energy: -64.169
flat angles P-C4'-P energy: -36.855
tors. eta vs tors. theta energy: -81.720
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: 4, replica: 2
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -877.912263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.912263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.912263 (E_RNA)
where:
Base-Base interactions energy: -607.888
where: short stacking energy: -263.611
Base-Backbone interact. energy: -0.915
local terms energy: -269.109343
where:
bonds (distance) C4'-P energy: -39.139
bonds (distance) P-C4' energy: -64.814
flat angles C4'-P-C4' energy: -60.615
flat angles P-C4'-P energy: -33.940
tors. eta vs tors. theta energy: -70.602
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: 10
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -781.575654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.575654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.575654 (E_RNA)
where:
Base-Base interactions energy: -529.715
where: short stacking energy: -237.768
Base-Backbone interact. energy: -1.495
local terms energy: -250.366180
where:
bonds (distance) C4'-P energy: -49.499
bonds (distance) P-C4' energy: -57.292
flat angles C4'-P-C4' energy: -49.645
flat angles P-C4'-P energy: -33.102
tors. eta vs tors. theta energy: -60.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -779.562242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.562242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.562242 (E_RNA)
where:
Base-Base interactions energy: -524.754
where: short stacking energy: -213.161
Base-Backbone interact. energy: -1.726
local terms energy: -253.082481
where:
bonds (distance) C4'-P energy: -53.302
bonds (distance) P-C4' energy: -54.519
flat angles C4'-P-C4' energy: -56.247
flat angles P-C4'-P energy: -35.358
tors. eta vs tors. theta energy: -53.656
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: 3
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -714.095502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.095502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.095502 (E_RNA)
where:
Base-Base interactions energy: -478.447
where: short stacking energy: -185.069
Base-Backbone interact. energy: -1.124
local terms energy: -234.524835
where:
bonds (distance) C4'-P energy: -42.446
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -52.235
flat angles P-C4'-P energy: -36.028
tors. eta vs tors. theta energy: -58.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -604.559756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.559756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.559756 (E_RNA)
where:
Base-Base interactions energy: -395.128
where: short stacking energy: -180.999
Base-Backbone interact. energy: 1.693
local terms energy: -211.124544
where:
bonds (distance) C4'-P energy: -34.588
bonds (distance) P-C4' energy: -48.934
flat angles C4'-P-C4' energy: -53.834
flat angles P-C4'-P energy: -36.136
tors. eta vs tors. theta energy: -37.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -477.237714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.237714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.237714 (E_RNA)
where:
Base-Base interactions energy: -288.282
where: short stacking energy: -148.191
Base-Backbone interact. energy: 2.806
local terms energy: -191.761641
where:
bonds (distance) C4'-P energy: -54.380
bonds (distance) P-C4' energy: -48.290
flat angles C4'-P-C4' energy: -42.936
flat angles P-C4'-P energy: -22.061
tors. eta vs tors. theta energy: -24.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -416.516555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.516555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.516555 (E_RNA)
where:
Base-Base interactions energy: -240.122
where: short stacking energy: -118.015
Base-Backbone interact. energy: 0.831
local terms energy: -177.225414
where:
bonds (distance) C4'-P energy: -41.287
bonds (distance) P-C4' energy: -48.412
flat angles C4'-P-C4' energy: -35.360
flat angles P-C4'-P energy: -30.341
tors. eta vs tors. theta energy: -21.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1017.664750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.664750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.664750 (E_RNA)
where:
Base-Base interactions energy: -712.474
where: short stacking energy: -311.951
Base-Backbone interact. energy: -1.977
local terms energy: -303.214072
where:
bonds (distance) C4'-P energy: -51.951
bonds (distance) P-C4' energy: -52.552
flat angles C4'-P-C4' energy: -64.721
flat angles P-C4'-P energy: -43.737
tors. eta vs tors. theta energy: -90.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -960.900982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.900982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.900982 (E_RNA)
where:
Base-Base interactions energy: -662.061
where: short stacking energy: -288.091
Base-Backbone interact. energy: -1.439
local terms energy: -297.400105
where:
bonds (distance) C4'-P energy: -53.328
bonds (distance) P-C4' energy: -56.152
flat angles C4'-P-C4' energy: -65.086
flat angles P-C4'-P energy: -40.225
tors. eta vs tors. theta energy: -82.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -913.034052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.034052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.034052 (E_RNA)
where:
Base-Base interactions energy: -618.900
where: short stacking energy: -279.647
Base-Backbone interact. energy: -0.105
local terms energy: -294.028609
where:
bonds (distance) C4'-P energy: -50.229
bonds (distance) P-C4' energy: -57.637
flat angles C4'-P-C4' energy: -59.338
flat angles P-C4'-P energy: -37.816
tors. eta vs tors. theta energy: -89.009
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: 2
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -922.230758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.230758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.230758 (E_RNA)
where:
Base-Base interactions energy: -628.030
where: short stacking energy: -285.500
Base-Backbone interact. energy: -0.647
local terms energy: -293.554213
where:
bonds (distance) C4'-P energy: -52.552
bonds (distance) P-C4' energy: -44.095
flat angles C4'-P-C4' energy: -65.313
flat angles P-C4'-P energy: -48.537
tors. eta vs tors. theta energy: -83.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -786.250886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.250886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.250886 (E_RNA)
where:
Base-Base interactions energy: -520.851
where: short stacking energy: -237.195
Base-Backbone interact. energy: 0.007
local terms energy: -265.407435
where:
bonds (distance) C4'-P energy: -50.093
bonds (distance) P-C4' energy: -55.346
flat angles C4'-P-C4' energy: -60.484
flat angles P-C4'-P energy: -33.841
tors. eta vs tors. theta energy: -65.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -786.449508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.449508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.449508 (E_RNA)
where:
Base-Base interactions energy: -526.565
where: short stacking energy: -236.645
Base-Backbone interact. energy: 2.069
local terms energy: -261.953579
where:
bonds (distance) C4'-P energy: -46.448
bonds (distance) P-C4' energy: -56.934
flat angles C4'-P-C4' energy: -48.104
flat angles P-C4'-P energy: -41.193
tors. eta vs tors. theta energy: -69.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -733.736524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.736524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.736524 (E_RNA)
where:
Base-Base interactions energy: -466.760
where: short stacking energy: -218.413
Base-Backbone interact. energy: 0.680
local terms energy: -267.656511
where:
bonds (distance) C4'-P energy: -53.555
bonds (distance) P-C4' energy: -47.182
flat angles C4'-P-C4' energy: -60.143
flat angles P-C4'-P energy: -46.811
tors. eta vs tors. theta energy: -59.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -654.800628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.800628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.800628 (E_RNA)
where:
Base-Base interactions energy: -415.286
where: short stacking energy: -182.806
Base-Backbone interact. energy: 0.068
local terms energy: -239.582564
where:
bonds (distance) C4'-P energy: -60.443
bonds (distance) P-C4' energy: -49.070
flat angles C4'-P-C4' energy: -53.609
flat angles P-C4'-P energy: -33.931
tors. eta vs tors. theta energy: -42.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -458.499004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.499004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.499004 (E_RNA)
where:
Base-Base interactions energy: -250.169
where: short stacking energy: -127.908
Base-Backbone interact. energy: -2.086
local terms energy: -206.243800
where:
bonds (distance) C4'-P energy: -53.019
bonds (distance) P-C4' energy: -56.193
flat angles C4'-P-C4' energy: -45.532
flat angles P-C4'-P energy: -35.563
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -434.928931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -434.928931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -434.928931 (E_RNA)
where:
Base-Base interactions energy: -258.853
where: short stacking energy: -128.490
Base-Backbone interact. energy: -1.408
local terms energy: -174.668622
where:
bonds (distance) C4'-P energy: -50.148
bonds (distance) P-C4' energy: -46.994
flat angles C4'-P-C4' energy: -33.981
flat angles P-C4'-P energy: -32.139
tors. eta vs tors. theta energy: -11.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1030.320904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.320904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.320904 (E_RNA)
where:
Base-Base interactions energy: -712.409
where: short stacking energy: -308.052
Base-Backbone interact. energy: -0.294
local terms energy: -317.618079
where:
bonds (distance) C4'-P energy: -57.444
bonds (distance) P-C4' energy: -63.875
flat angles C4'-P-C4' energy: -64.180
flat angles P-C4'-P energy: -44.715
tors. eta vs tors. theta energy: -87.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -969.035659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.035659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.035659 (E_RNA)
where:
Base-Base interactions energy: -665.311
where: short stacking energy: -283.888
Base-Backbone interact. energy: -0.531
local terms energy: -303.193838
where:
bonds (distance) C4'-P energy: -49.857
bonds (distance) P-C4' energy: -60.091
flat angles C4'-P-C4' energy: -66.300
flat angles P-C4'-P energy: -44.233
tors. eta vs tors. theta energy: -82.713
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: 8
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -933.644850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.644850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.644850 (E_RNA)
where:
Base-Base interactions energy: -641.926
where: short stacking energy: -284.482
Base-Backbone interact. energy: 0.784
local terms energy: -292.503478
where:
bonds (distance) C4'-P energy: -61.349
bonds (distance) P-C4' energy: -57.447
flat angles C4'-P-C4' energy: -57.981
flat angles P-C4'-P energy: -28.981
tors. eta vs tors. theta energy: -86.746
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: 2
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -935.542102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.542102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.542102 (E_RNA)
where:
Base-Base interactions energy: -656.459
where: short stacking energy: -265.420
Base-Backbone interact. energy: -0.390
local terms energy: -278.693731
where:
bonds (distance) C4'-P energy: -55.374
bonds (distance) P-C4' energy: -46.746
flat angles C4'-P-C4' energy: -47.626
flat angles P-C4'-P energy: -41.343
tors. eta vs tors. theta energy: -87.605
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: 254
Temperature: 1.100000
Total energy: -798.072055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.072055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.072055 (E_RNA)
where:
Base-Base interactions energy: -540.293
where: short stacking energy: -228.556
Base-Backbone interact. energy: -1.079
local terms energy: -256.700374
where:
bonds (distance) C4'-P energy: -40.009
bonds (distance) P-C4' energy: -51.901
flat angles C4'-P-C4' energy: -64.063
flat angles P-C4'-P energy: -43.462
tors. eta vs tors. theta energy: -57.265
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: 10
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -748.844379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.844379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.844379 (E_RNA)
where:
Base-Base interactions energy: -516.205
where: short stacking energy: -215.322
Base-Backbone interact. energy: -1.282
local terms energy: -231.357607
where:
bonds (distance) C4'-P energy: -43.033
bonds (distance) P-C4' energy: -51.707
flat angles C4'-P-C4' energy: -46.849
flat angles P-C4'-P energy: -42.463
tors. eta vs tors. theta energy: -47.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -678.334068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.334068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.334068 (E_RNA)
where:
Base-Base interactions energy: -446.479
where: short stacking energy: -188.465
Base-Backbone interact. energy: -0.044
local terms energy: -231.811136
where:
bonds (distance) C4'-P energy: -56.286
bonds (distance) P-C4' energy: -57.156
flat angles C4'-P-C4' energy: -46.614
flat angles P-C4'-P energy: -30.002
tors. eta vs tors. theta energy: -41.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -613.527359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.527359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.527359 (E_RNA)
where:
Base-Base interactions energy: -415.060
where: short stacking energy: -167.966
Base-Backbone interact. energy: 1.155
local terms energy: -199.622757
where:
bonds (distance) C4'-P energy: -30.991
bonds (distance) P-C4' energy: -52.531
flat angles C4'-P-C4' energy: -58.296
flat angles P-C4'-P energy: -27.306
tors. eta vs tors. theta energy: -30.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -476.950826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.950826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.950826 (E_RNA)
where:
Base-Base interactions energy: -299.551
where: short stacking energy: -158.542
Base-Backbone interact. energy: 0.493
local terms energy: -177.892859
where:
bonds (distance) C4'-P energy: -38.165
bonds (distance) P-C4' energy: -41.397
flat angles C4'-P-C4' energy: -43.169
flat angles P-C4'-P energy: -25.139
tors. eta vs tors. theta energy: -30.022
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: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -456.962421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.962421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.962421 (E_RNA)
where:
Base-Base interactions energy: -287.439
where: short stacking energy: -152.280
Base-Backbone interact. energy: -1.335
local terms energy: -168.187578
where:
bonds (distance) C4'-P energy: -30.053
bonds (distance) P-C4' energy: -51.880
flat angles C4'-P-C4' energy: -45.904
flat angles P-C4'-P energy: -16.866
tors. eta vs tors. theta energy: -23.484
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: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1025.644144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.644144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.644144 (E_RNA)
where:
Base-Base interactions energy: -705.598
where: short stacking energy: -295.377
Base-Backbone interact. energy: 0.642
local terms energy: -320.688142
where:
bonds (distance) C4'-P energy: -54.477
bonds (distance) P-C4' energy: -57.985
flat angles C4'-P-C4' energy: -66.189
flat angles P-C4'-P energy: -54.035
tors. eta vs tors. theta energy: -88.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -977.211607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.211607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.211607 (E_RNA)
where:
Base-Base interactions energy: -666.298
where: short stacking energy: -296.045
Base-Backbone interact. energy: 0.056
local terms energy: -310.969133
where:
bonds (distance) C4'-P energy: -45.920
bonds (distance) P-C4' energy: -60.591
flat angles C4'-P-C4' energy: -68.194
flat angles P-C4'-P energy: -44.096
tors. eta vs tors. theta energy: -92.168
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: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -904.055765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.055765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.055765 (E_RNA)
where:
Base-Base interactions energy: -627.784
where: short stacking energy: -276.901
Base-Backbone interact. energy: -0.541
local terms energy: -275.730359
where:
bonds (distance) C4'-P energy: -49.176
bonds (distance) P-C4' energy: -46.718
flat angles C4'-P-C4' energy: -58.131
flat angles P-C4'-P energy: -43.382
tors. eta vs tors. theta energy: -78.322
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: 2
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -938.182916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.182916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.182916 (E_RNA)
where:
Base-Base interactions energy: -623.186
where: short stacking energy: -283.291
Base-Backbone interact. energy: -0.461
local terms energy: -314.536074
where:
bonds (distance) C4'-P energy: -49.268
bonds (distance) P-C4' energy: -58.326
flat angles C4'-P-C4' energy: -61.470
flat angles P-C4'-P energy: -50.927
tors. eta vs tors. theta energy: -94.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -802.560710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.560710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.560710 (E_RNA)
where:
Base-Base interactions energy: -530.087
where: short stacking energy: -240.054
Base-Backbone interact. energy: -2.833
local terms energy: -269.640161
where:
bonds (distance) C4'-P energy: -45.275
bonds (distance) P-C4' energy: -60.863
flat angles C4'-P-C4' energy: -60.699
flat angles P-C4'-P energy: -37.784
tors. eta vs tors. theta energy: -65.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -752.463920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.463920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.463920 (E_RNA)
where:
Base-Base interactions energy: -497.112
where: short stacking energy: -208.444
Base-Backbone interact. energy: 0.212
local terms energy: -255.564141
where:
bonds (distance) C4'-P energy: -48.248
bonds (distance) P-C4' energy: -56.585
flat angles C4'-P-C4' energy: -69.097
flat angles P-C4'-P energy: -25.429
tors. eta vs tors. theta energy: -56.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -707.605538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.605538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.605538 (E_RNA)
where:
Base-Base interactions energy: -453.628
where: short stacking energy: -191.911
Base-Backbone interact. energy: -1.708
local terms energy: -252.269900
where:
bonds (distance) C4'-P energy: -61.245
bonds (distance) P-C4' energy: -54.729
flat angles C4'-P-C4' energy: -54.532
flat angles P-C4'-P energy: -38.426
tors. eta vs tors. theta energy: -43.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -575.402594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.402594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.402594 (E_RNA)
where:
Base-Base interactions energy: -365.142
where: short stacking energy: -172.039
Base-Backbone interact. energy: -1.915
local terms energy: -208.344900
where:
bonds (distance) C4'-P energy: -47.487
bonds (distance) P-C4' energy: -39.300
flat angles C4'-P-C4' energy: -49.350
flat angles P-C4'-P energy: -36.965
tors. eta vs tors. theta energy: -35.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -537.764987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.764987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.764987 (E_RNA)
where:
Base-Base interactions energy: -341.217
where: short stacking energy: -164.367
Base-Backbone interact. energy: 0.046
local terms energy: -196.593621
where:
bonds (distance) C4'-P energy: -38.113
bonds (distance) P-C4' energy: -46.560
flat angles C4'-P-C4' energy: -49.486
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -42.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -449.277817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.277817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.277817 (E_RNA)
where:
Base-Base interactions energy: -280.316
where: short stacking energy: -133.385
Base-Backbone interact. energy: -0.487
local terms energy: -168.474446
where:
bonds (distance) C4'-P energy: -26.769
bonds (distance) P-C4' energy: -48.442
flat angles C4'-P-C4' energy: -42.355
flat angles P-C4'-P energy: -23.863
tors. eta vs tors. theta energy: -27.045
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: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1020.481852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.481852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.481852 (E_RNA)
where:
Base-Base interactions energy: -723.839
where: short stacking energy: -302.124
Base-Backbone interact. energy: -0.324
local terms energy: -296.318472
where:
bonds (distance) C4'-P energy: -56.220
bonds (distance) P-C4' energy: -49.169
flat angles C4'-P-C4' energy: -65.751
flat angles P-C4'-P energy: -44.838
tors. eta vs tors. theta energy: -80.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -972.991431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.991431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.991431 (E_RNA)
where:
Base-Base interactions energy: -682.024
where: short stacking energy: -293.816
Base-Backbone interact. energy: -0.307
local terms energy: -290.661182
where:
bonds (distance) C4'-P energy: -46.513
bonds (distance) P-C4' energy: -66.101
flat angles C4'-P-C4' energy: -57.808
flat angles P-C4'-P energy: -34.158
tors. eta vs tors. theta energy: -86.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -942.312729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.312729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.312729 (E_RNA)
where:
Base-Base interactions energy: -656.380
where: short stacking energy: -275.774
Base-Backbone interact. energy: -2.743
local terms energy: -283.189587
where:
bonds (distance) C4'-P energy: -50.407
bonds (distance) P-C4' energy: -52.131
flat angles C4'-P-C4' energy: -55.269
flat angles P-C4'-P energy: -34.767
tors. eta vs tors. theta energy: -90.616
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: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -922.371939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.371939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.371939 (E_RNA)
where:
Base-Base interactions energy: -627.540
where: short stacking energy: -280.524
Base-Backbone interact. energy: -0.575
local terms energy: -294.257199
where:
bonds (distance) C4'-P energy: -55.506
bonds (distance) P-C4' energy: -50.788
flat angles C4'-P-C4' energy: -65.443
flat angles P-C4'-P energy: -38.146
tors. eta vs tors. theta energy: -84.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -792.900942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.900942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.900942 (E_RNA)
where:
Base-Base interactions energy: -531.563
where: short stacking energy: -233.663
Base-Backbone interact. energy: -0.740
local terms energy: -260.597917
where:
bonds (distance) C4'-P energy: -52.241
bonds (distance) P-C4' energy: -45.354
flat angles C4'-P-C4' energy: -55.716
flat angles P-C4'-P energy: -41.020
tors. eta vs tors. theta energy: -66.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -778.573895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.573895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.573895 (E_RNA)
where:
Base-Base interactions energy: -511.587
where: short stacking energy: -233.673
Base-Backbone interact. energy: 0.057
local terms energy: -267.043793
where:
bonds (distance) C4'-P energy: -47.884
bonds (distance) P-C4' energy: -46.329
flat angles C4'-P-C4' energy: -60.475
flat angles P-C4'-P energy: -39.840
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: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -681.204620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.204620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.204620 (E_RNA)
where:
Base-Base interactions energy: -429.990
where: short stacking energy: -195.018
Base-Backbone interact. energy: -0.475
local terms energy: -250.740349
where:
bonds (distance) C4'-P energy: -44.227
bonds (distance) P-C4' energy: -57.534
flat angles C4'-P-C4' energy: -49.767
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: -57.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -559.243095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.243095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.243095 (E_RNA)
where:
Base-Base interactions energy: -361.747
where: short stacking energy: -145.025
Base-Backbone interact. energy: -1.647
local terms energy: -195.849024
where:
bonds (distance) C4'-P energy: -39.568
bonds (distance) P-C4' energy: -56.520
flat angles C4'-P-C4' energy: -46.632
flat angles P-C4'-P energy: -29.686
tors. eta vs tors. theta energy: -23.444
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: 256
Temperature: 1.300000
Total energy: -479.813667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.813667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.813667 (E_RNA)
where:
Base-Base interactions energy: -261.191
where: short stacking energy: -139.385
Base-Backbone interact. energy: -0.017
local terms energy: -218.605555
where:
bonds (distance) C4'-P energy: -47.820
bonds (distance) P-C4' energy: -60.904
flat angles C4'-P-C4' energy: -62.186
flat angles P-C4'-P energy: -29.038
tors. eta vs tors. theta energy: -18.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -460.802660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.802660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.802660 (E_RNA)
where:
Base-Base interactions energy: -261.041
where: short stacking energy: -138.525
Base-Backbone interact. energy: -0.209
local terms energy: -199.552333
where:
bonds (distance) C4'-P energy: -56.180
bonds (distance) P-C4' energy: -50.832
flat angles C4'-P-C4' energy: -41.028
flat angles P-C4'-P energy: -23.606
tors. eta vs tors. theta energy: -27.906
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: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1034.306407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.306407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.306407 (E_RNA)
where:
Base-Base interactions energy: -732.346
where: short stacking energy: -301.155
Base-Backbone interact. energy: -0.801
local terms energy: -301.159628
where:
bonds (distance) C4'-P energy: -57.671
bonds (distance) P-C4' energy: -51.004
flat angles C4'-P-C4' energy: -62.340
flat angles P-C4'-P energy: -43.514
tors. eta vs tors. theta energy: -86.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -975.447098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.447098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.447098 (E_RNA)
where:
Base-Base interactions energy: -672.119
where: short stacking energy: -288.339
Base-Backbone interact. energy: -0.392
local terms energy: -302.936272
where:
bonds (distance) C4'-P energy: -58.226
bonds (distance) P-C4' energy: -56.552
flat angles C4'-P-C4' energy: -64.700
flat angles P-C4'-P energy: -35.900
tors. eta vs tors. theta energy: -87.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -947.732862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.732862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.732862 (E_RNA)
where:
Base-Base interactions energy: -647.145
where: short stacking energy: -284.505
Base-Backbone interact. energy: -0.500
local terms energy: -300.087755
where:
bonds (distance) C4'-P energy: -49.156
bonds (distance) P-C4' energy: -60.434
flat angles C4'-P-C4' energy: -58.769
flat angles P-C4'-P energy: -41.097
tors. eta vs tors. theta energy: -90.632
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: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -888.166640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.166640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.166640 (E_RNA)
where:
Base-Base interactions energy: -600.008
where: short stacking energy: -281.946
Base-Backbone interact. energy: 0.364
local terms energy: -288.522491
where:
bonds (distance) C4'-P energy: -49.186
bonds (distance) P-C4' energy: -58.198
flat angles C4'-P-C4' energy: -55.968
flat angles P-C4'-P energy: -43.444
tors. eta vs tors. theta energy: -81.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -828.266737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.266737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.266737 (E_RNA)
where:
Base-Base interactions energy: -577.821
where: short stacking energy: -249.365
Base-Backbone interact. energy: -0.673
local terms energy: -249.772237
where:
bonds (distance) C4'-P energy: -46.727
bonds (distance) P-C4' energy: -51.848
flat angles C4'-P-C4' energy: -51.882
flat angles P-C4'-P energy: -32.443
tors. eta vs tors. theta energy: -66.872
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: 6, replica: 10
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -729.946028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.946028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.946028 (E_RNA)
where:
Base-Base interactions energy: -470.640
where: short stacking energy: -214.810
Base-Backbone interact. energy: 0.075
local terms energy: -259.381144
where:
bonds (distance) C4'-P energy: -62.489
bonds (distance) P-C4' energy: -55.072
flat angles C4'-P-C4' energy: -45.612
flat angles P-C4'-P energy: -37.339
tors. eta vs tors. theta energy: -58.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -649.604553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -649.604553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -649.604553 (E_RNA)
where:
Base-Base interactions energy: -431.685
where: short stacking energy: -195.372
Base-Backbone interact. energy: -1.122
local terms energy: -216.797336
where:
bonds (distance) C4'-P energy: -48.804
bonds (distance) P-C4' energy: -46.237
flat angles C4'-P-C4' energy: -45.998
flat angles P-C4'-P energy: -26.454
tors. eta vs tors. theta energy: -49.304
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: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -575.154703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.154703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.154703 (E_RNA)
where:
Base-Base interactions energy: -371.628
where: short stacking energy: -173.305
Base-Backbone interact. energy: -0.786
local terms energy: -202.739943
where:
bonds (distance) C4'-P energy: -44.815
bonds (distance) P-C4' energy: -43.483
flat angles C4'-P-C4' energy: -48.618
flat angles P-C4'-P energy: -36.095
tors. eta vs tors. theta energy: -29.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -496.621982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -496.621982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -496.621982 (E_RNA)
where:
Base-Base interactions energy: -287.198
where: short stacking energy: -144.928
Base-Backbone interact. energy: -1.552
local terms energy: -207.872133
where:
bonds (distance) C4'-P energy: -43.466
bonds (distance) P-C4' energy: -53.630
flat angles C4'-P-C4' energy: -54.263
flat angles P-C4'-P energy: -23.060
tors. eta vs tors. theta energy: -33.454
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: 10, replica: 6
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -425.876476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -425.876476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -425.876476 (E_RNA)
where:
Base-Base interactions energy: -255.534
where: short stacking energy: -126.233
Base-Backbone interact. energy: 1.499
local terms energy: -171.840924
where:
bonds (distance) C4'-P energy: -53.673
bonds (distance) P-C4' energy: -34.712
flat angles C4'-P-C4' energy: -45.579
flat angles P-C4'-P energy: -21.339
tors. eta vs tors. theta energy: -16.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1037.007370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.007370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.007370 (E_RNA)
where:
Base-Base interactions energy: -719.419
where: short stacking energy: -314.152
Base-Backbone interact. energy: -1.140
local terms energy: -316.448172
where:
bonds (distance) C4'-P energy: -61.918
bonds (distance) P-C4' energy: -52.895
flat angles C4'-P-C4' energy: -63.027
flat angles P-C4'-P energy: -48.389
tors. eta vs tors. theta energy: -90.219
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: 7
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -976.257070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.257070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.257070 (E_RNA)
where:
Base-Base interactions energy: -685.992
where: short stacking energy: -275.450
Base-Backbone interact. energy: -1.270
local terms energy: -288.995137
where:
bonds (distance) C4'-P energy: -57.630
bonds (distance) P-C4' energy: -53.366
flat angles C4'-P-C4' energy: -55.985
flat angles P-C4'-P energy: -46.521
tors. eta vs tors. theta energy: -75.492
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: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -942.075813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.075813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.075813 (E_RNA)
where:
Base-Base interactions energy: -648.411
where: short stacking energy: -287.830
Base-Backbone interact. energy: 0.772
local terms energy: -294.436545
where:
bonds (distance) C4'-P energy: -54.368
bonds (distance) P-C4' energy: -52.044
flat angles C4'-P-C4' energy: -67.329
flat angles P-C4'-P energy: -37.293
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: 4, replica: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -866.161111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.161111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.161111 (E_RNA)
where:
Base-Base interactions energy: -604.868
where: short stacking energy: -250.892
Base-Backbone interact. energy: -1.093
local terms energy: -260.200210
where:
bonds (distance) C4'-P energy: -47.339
bonds (distance) P-C4' energy: -45.702
flat angles C4'-P-C4' energy: -61.012
flat angles P-C4'-P energy: -37.997
tors. eta vs tors. theta energy: -68.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -815.684277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.684277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.684277 (E_RNA)
where:
Base-Base interactions energy: -572.112
where: short stacking energy: -242.025
Base-Backbone interact. energy: 1.863
local terms energy: -245.435072
where:
bonds (distance) C4'-P energy: -48.798
bonds (distance) P-C4' energy: -46.383
flat angles C4'-P-C4' energy: -52.946
flat angles P-C4'-P energy: -29.769
tors. eta vs tors. theta energy: -67.539
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: 6, replica: 10
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -735.306279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.306279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.306279 (E_RNA)
where:
Base-Base interactions energy: -492.015
where: short stacking energy: -204.729
Base-Backbone interact. energy: 1.314
local terms energy: -244.604903
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -58.132
flat angles C4'-P-C4' energy: -54.335
flat angles P-C4'-P energy: -31.430
tors. eta vs tors. theta energy: -50.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -618.725776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.725776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.725776 (E_RNA)
where:
Base-Base interactions energy: -390.906
where: short stacking energy: -189.198
Base-Backbone interact. energy: -0.500
local terms energy: -227.320244
where:
bonds (distance) C4'-P energy: -49.991
bonds (distance) P-C4' energy: -52.236
flat angles C4'-P-C4' energy: -49.788
flat angles P-C4'-P energy: -32.814
tors. eta vs tors. theta energy: -42.492
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: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -566.583298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.583298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.583298 (E_RNA)
where:
Base-Base interactions energy: -367.555
where: short stacking energy: -173.917
Base-Backbone interact. energy: 1.870
local terms energy: -200.898771
where:
bonds (distance) C4'-P energy: -50.277
bonds (distance) P-C4' energy: -49.616
flat angles C4'-P-C4' energy: -38.194
flat angles P-C4'-P energy: -29.190
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: 9, replica: 1
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -490.197827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.197827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.197827 (E_RNA)
where:
Base-Base interactions energy: -301.380
where: short stacking energy: -150.733
Base-Backbone interact. energy: -0.948
local terms energy: -187.870142
where:
bonds (distance) C4'-P energy: -41.824
bonds (distance) P-C4' energy: -39.831
flat angles C4'-P-C4' energy: -44.639
flat angles P-C4'-P energy: -30.431
tors. eta vs tors. theta energy: -31.145
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: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -394.636680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -394.636680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -394.636680 (E_RNA)
where:
Base-Base interactions energy: -214.699
where: short stacking energy: -97.509
Base-Backbone interact. energy: 1.094
local terms energy: -181.031813
where:
bonds (distance) C4'-P energy: -47.119
bonds (distance) P-C4' energy: -49.670
flat angles C4'-P-C4' energy: -52.375
flat angles P-C4'-P energy: -31.857
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1038.143867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.143867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.143867 (E_RNA)
where:
Base-Base interactions energy: -724.675
where: short stacking energy: -305.281
Base-Backbone interact. energy: -0.902
local terms energy: -312.566886
where:
bonds (distance) C4'-P energy: -51.518
bonds (distance) P-C4' energy: -58.867
flat angles C4'-P-C4' energy: -63.934
flat angles P-C4'-P energy: -46.900
tors. eta vs tors. theta energy: -91.348
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: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -977.740283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.740283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.740283 (E_RNA)
where:
Base-Base interactions energy: -670.060
where: short stacking energy: -268.544
Base-Backbone interact. energy: 1.516
local terms energy: -309.195869
where:
bonds (distance) C4'-P energy: -60.935
bonds (distance) P-C4' energy: -62.072
flat angles C4'-P-C4' energy: -59.154
flat angles P-C4'-P energy: -44.460
tors. eta vs tors. theta energy: -82.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -945.543563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.543563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.543563 (E_RNA)
where:
Base-Base interactions energy: -646.293
where: short stacking energy: -282.505
Base-Backbone interact. energy: -1.766
local terms energy: -297.484881
where:
bonds (distance) C4'-P energy: -58.702
bonds (distance) P-C4' energy: -52.775
flat angles C4'-P-C4' energy: -63.163
flat angles P-C4'-P energy: -37.456
tors. eta vs tors. theta energy: -85.389
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: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -894.607715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.607715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.607715 (E_RNA)
where:
Base-Base interactions energy: -606.091
where: short stacking energy: -256.631
Base-Backbone interact. energy: -2.075
local terms energy: -286.441656
where:
bonds (distance) C4'-P energy: -52.786
bonds (distance) P-C4' energy: -52.227
flat angles C4'-P-C4' energy: -58.879
flat angles P-C4'-P energy: -48.004
tors. eta vs tors. theta energy: -74.546
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: 5, replica: 5
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -806.029777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.029777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.029777 (E_RNA)
where:
Base-Base interactions energy: -542.468
where: short stacking energy: -237.446
Base-Backbone interact. energy: 1.454
local terms energy: -265.015055
where:
bonds (distance) C4'-P energy: -41.664
bonds (distance) P-C4' energy: -55.616
flat angles C4'-P-C4' energy: -55.617
flat angles P-C4'-P energy: -43.087
tors. eta vs tors. theta energy: -69.031
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: 10
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -732.572812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.572812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.572812 (E_RNA)
where:
Base-Base interactions energy: -474.664
where: short stacking energy: -215.013
Base-Backbone interact. energy: -0.910
local terms energy: -256.999437
where:
bonds (distance) C4'-P energy: -51.167
bonds (distance) P-C4' energy: -53.005
flat angles C4'-P-C4' energy: -53.635
flat angles P-C4'-P energy: -41.423
tors. eta vs tors. theta energy: -57.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -635.254720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.254720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.254720 (E_RNA)
where:
Base-Base interactions energy: -414.421
where: short stacking energy: -181.516
Base-Backbone interact. energy: -1.881
local terms energy: -218.952305
where:
bonds (distance) C4'-P energy: -46.743
bonds (distance) P-C4' energy: -48.746
flat angles C4'-P-C4' energy: -44.805
flat angles P-C4'-P energy: -33.377
tors. eta vs tors. theta energy: -45.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -603.435562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.435562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.435562 (E_RNA)
where:
Base-Base interactions energy: -386.877
where: short stacking energy: -183.967
Base-Backbone interact. energy: -0.545
local terms energy: -216.012906
where:
bonds (distance) C4'-P energy: -42.844
bonds (distance) P-C4' energy: -49.749
flat angles C4'-P-C4' energy: -49.155
flat angles P-C4'-P energy: -35.089
tors. eta vs tors. theta energy: -39.177
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: 1
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -472.917634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.917634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.917634 (E_RNA)
where:
Base-Base interactions energy: -295.100
where: short stacking energy: -149.283
Base-Backbone interact. energy: -0.982
local terms energy: -176.836067
where:
bonds (distance) C4'-P energy: -50.596
bonds (distance) P-C4' energy: -34.536
flat angles C4'-P-C4' energy: -54.505
flat angles P-C4'-P energy: -18.524
tors. eta vs tors. theta energy: -18.675
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: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -447.784264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.784264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.784264 (E_RNA)
where:
Base-Base interactions energy: -263.088
where: short stacking energy: -130.583
Base-Backbone interact. energy: -2.307
local terms energy: -182.389407
where:
bonds (distance) C4'-P energy: -39.394
bonds (distance) P-C4' energy: -57.860
flat angles C4'-P-C4' energy: -41.398
flat angles P-C4'-P energy: -31.141
tors. eta vs tors. theta energy: -12.595
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: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1041.657463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.657463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.657463 (E_RNA)
where:
Base-Base interactions energy: -722.888
where: short stacking energy: -305.671
Base-Backbone interact. energy: -0.976
local terms energy: -317.793407
where:
bonds (distance) C4'-P energy: -56.869
bonds (distance) P-C4' energy: -56.261
flat angles C4'-P-C4' energy: -65.405
flat angles P-C4'-P energy: -47.615
tors. eta vs tors. theta energy: -91.643
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: 2, replica: 7
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -944.374232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.374232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.374232 (E_RNA)
where:
Base-Base interactions energy: -636.563
where: short stacking energy: -270.767
Base-Backbone interact. energy: -1.019
local terms energy: -306.791877
where:
bonds (distance) C4'-P energy: -58.351
bonds (distance) P-C4' energy: -60.653
flat angles C4'-P-C4' energy: -66.792
flat angles P-C4'-P energy: -35.892
tors. eta vs tors. theta energy: -85.103
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: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -945.270634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.270634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.270634 (E_RNA)
where:
Base-Base interactions energy: -643.647
where: short stacking energy: -311.836
Base-Backbone interact. energy: -0.957
local terms energy: -300.666916
where:
bonds (distance) C4'-P energy: -54.906
bonds (distance) P-C4' energy: -50.445
flat angles C4'-P-C4' energy: -61.028
flat angles P-C4'-P energy: -46.081
tors. eta vs tors. theta energy: -88.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -878.732090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.732090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.732090 (E_RNA)
where:
Base-Base interactions energy: -602.803
where: short stacking energy: -243.593
Base-Backbone interact. energy: 1.400
local terms energy: -277.329384
where:
bonds (distance) C4'-P energy: -41.185
bonds (distance) P-C4' energy: -60.184
flat angles C4'-P-C4' energy: -58.425
flat angles P-C4'-P energy: -37.728
tors. eta vs tors. theta energy: -79.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -791.545008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.545008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.545008 (E_RNA)
where:
Base-Base interactions energy: -512.790
where: short stacking energy: -217.204
Base-Backbone interact. energy: -1.427
local terms energy: -277.327841
where:
bonds (distance) C4'-P energy: -50.262
bonds (distance) P-C4' energy: -60.918
flat angles C4'-P-C4' energy: -52.483
flat angles P-C4'-P energy: -45.530
tors. eta vs tors. theta energy: -68.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -733.730392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.730392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.730392 (E_RNA)
where:
Base-Base interactions energy: -500.349
where: short stacking energy: -213.674
Base-Backbone interact. energy: 8.091
local terms energy: -241.472581
where:
bonds (distance) C4'-P energy: -47.069
bonds (distance) P-C4' energy: -49.069
flat angles C4'-P-C4' energy: -53.017
flat angles P-C4'-P energy: -37.427
tors. eta vs tors. theta energy: -54.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -600.227056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.227056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.227056 (E_RNA)
where:
Base-Base interactions energy: -384.490
where: short stacking energy: -159.573
Base-Backbone interact. energy: -2.029
local terms energy: -213.708405
where:
bonds (distance) C4'-P energy: -49.109
bonds (distance) P-C4' energy: -53.751
flat angles C4'-P-C4' energy: -43.680
flat angles P-C4'-P energy: -33.162
tors. eta vs tors. theta energy: -34.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -598.085694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.085694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.085694 (E_RNA)
where:
Base-Base interactions energy: -392.281
where: short stacking energy: -170.782
Base-Backbone interact. energy: -0.733
local terms energy: -205.072619
where:
bonds (distance) C4'-P energy: -40.379
bonds (distance) P-C4' energy: -53.744
flat angles C4'-P-C4' energy: -39.394
flat angles P-C4'-P energy: -33.257
tors. eta vs tors. theta energy: -38.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -490.491092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -490.491092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -490.491092 (E_RNA)
where:
Base-Base interactions energy: -287.320
where: short stacking energy: -150.653
Base-Backbone interact. energy: -1.171
local terms energy: -202.000703
where:
bonds (distance) C4'-P energy: -43.124
bonds (distance) P-C4' energy: -50.547
flat angles C4'-P-C4' energy: -43.227
flat angles P-C4'-P energy: -32.758
tors. eta vs tors. theta energy: -32.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -443.220834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.220834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.220834 (E_RNA)
where:
Base-Base interactions energy: -265.501
where: short stacking energy: -135.287
Base-Backbone interact. energy: -0.137
local terms energy: -177.582348
where:
bonds (distance) C4'-P energy: -47.014
bonds (distance) P-C4' energy: -37.537
flat angles C4'-P-C4' energy: -50.796
flat angles P-C4'-P energy: -23.454
tors. eta vs tors. theta energy: -18.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1046.507143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.507143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.507143 (E_RNA)
where:
Base-Base interactions energy: -736.721
where: short stacking energy: -303.924
Base-Backbone interact. energy: -0.882
local terms energy: -308.904468
where:
bonds (distance) C4'-P energy: -53.835
bonds (distance) P-C4' energy: -53.813
flat angles C4'-P-C4' energy: -58.865
flat angles P-C4'-P energy: -49.725
tors. eta vs tors. theta energy: -92.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -955.650278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.650278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.650278 (E_RNA)
where:
Base-Base interactions energy: -644.381
where: short stacking energy: -290.672
Base-Backbone interact. energy: -0.097
local terms energy: -311.172701
where:
bonds (distance) C4'-P energy: -60.572
bonds (distance) P-C4' energy: -51.854
flat angles C4'-P-C4' energy: -68.175
flat angles P-C4'-P energy: -43.206
tors. eta vs tors. theta energy: -87.366
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: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -960.061021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.061021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.061021 (E_RNA)
where:
Base-Base interactions energy: -649.584
where: short stacking energy: -273.101
Base-Backbone interact. energy: 0.350
local terms energy: -310.827228
where:
bonds (distance) C4'-P energy: -54.331
bonds (distance) P-C4' energy: -56.162
flat angles C4'-P-C4' energy: -62.125
flat angles P-C4'-P energy: -43.447
tors. eta vs tors. theta energy: -94.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -891.566255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.566255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.566255 (E_RNA)
where:
Base-Base interactions energy: -602.128
where: short stacking energy: -275.249
Base-Backbone interact. energy: -0.917
local terms energy: -288.521865
where:
bonds (distance) C4'-P energy: -52.496
bonds (distance) P-C4' energy: -53.745
flat angles C4'-P-C4' energy: -59.475
flat angles P-C4'-P energy: -43.600
tors. eta vs tors. theta energy: -79.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -833.615005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.615005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.615005 (E_RNA)
where:
Base-Base interactions energy: -576.552
where: short stacking energy: -251.800
Base-Backbone interact. energy: -0.708
local terms energy: -256.355316
where:
bonds (distance) C4'-P energy: -50.995
bonds (distance) P-C4' energy: -42.844
flat angles C4'-P-C4' energy: -58.689
flat angles P-C4'-P energy: -36.069
tors. eta vs tors. theta energy: -67.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -752.817843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.817843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.817843 (E_RNA)
where:
Base-Base interactions energy: -503.341
where: short stacking energy: -218.408
Base-Backbone interact. energy: 1.214
local terms energy: -250.691466
where:
bonds (distance) C4'-P energy: -42.048
bonds (distance) P-C4' energy: -53.284
flat angles C4'-P-C4' energy: -54.348
flat angles P-C4'-P energy: -40.983
tors. eta vs tors. theta energy: -60.028
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: 261
Temperature: 1.200000
Total energy: -577.093948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.093948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.093948 (E_RNA)
where:
Base-Base interactions energy: -369.795
where: short stacking energy: -177.845
Base-Backbone interact. energy: -1.943
local terms energy: -205.356101
where:
bonds (distance) C4'-P energy: -27.690
bonds (distance) P-C4' energy: -43.814
flat angles C4'-P-C4' energy: -51.989
flat angles P-C4'-P energy: -36.791
tors. eta vs tors. theta energy: -45.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -643.541697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -643.541697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -643.541697 (E_RNA)
where:
Base-Base interactions energy: -420.280
where: short stacking energy: -200.351
Base-Backbone interact. energy: -1.079
local terms energy: -222.183078
where:
bonds (distance) C4'-P energy: -46.465
bonds (distance) P-C4' energy: -57.346
flat angles C4'-P-C4' energy: -45.770
flat angles P-C4'-P energy: -35.594
tors. eta vs tors. theta energy: -37.008
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: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -531.823240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.823240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.823240 (E_RNA)
where:
Base-Base interactions energy: -341.901
where: short stacking energy: -168.533
Base-Backbone interact. energy: 1.472
local terms energy: -191.393478
where:
bonds (distance) C4'-P energy: -47.662
bonds (distance) P-C4' energy: -37.507
flat angles C4'-P-C4' energy: -39.193
flat angles P-C4'-P energy: -36.268
tors. eta vs tors. theta energy: -30.763
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: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -421.484864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.484864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.484864 (E_RNA)
where:
Base-Base interactions energy: -236.644
where: short stacking energy: -111.041
Base-Backbone interact. energy: -0.097
local terms energy: -184.743624
where:
bonds (distance) C4'-P energy: -44.322
bonds (distance) P-C4' energy: -51.260
flat angles C4'-P-C4' energy: -45.079
flat angles P-C4'-P energy: -24.012
tors. eta vs tors. theta energy: -20.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1016.541470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.541470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.541470 (E_RNA)
where:
Base-Base interactions energy: -708.322
where: short stacking energy: -300.954
Base-Backbone interact. energy: -1.475
local terms energy: -306.743836
where:
bonds (distance) C4'-P energy: -51.516
bonds (distance) P-C4' energy: -56.259
flat angles C4'-P-C4' energy: -63.797
flat angles P-C4'-P energy: -45.345
tors. eta vs tors. theta energy: -89.827
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: 7
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -953.379972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.379972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.379972 (E_RNA)
where:
Base-Base interactions energy: -645.972
where: short stacking energy: -276.435
Base-Backbone interact. energy: -0.362
local terms energy: -307.046560
where:
bonds (distance) C4'-P energy: -58.744
bonds (distance) P-C4' energy: -59.433
flat angles C4'-P-C4' energy: -65.346
flat angles P-C4'-P energy: -39.707
tors. eta vs tors. theta energy: -83.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -942.174352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.174352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.174352 (E_RNA)
where:
Base-Base interactions energy: -662.986
where: short stacking energy: -280.174
Base-Backbone interact. energy: 1.825
local terms energy: -281.013772
where:
bonds (distance) C4'-P energy: -48.438
bonds (distance) P-C4' energy: -50.903
flat angles C4'-P-C4' energy: -61.432
flat angles P-C4'-P energy: -34.455
tors. eta vs tors. theta energy: -85.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -901.705718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.705718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.705718 (E_RNA)
where:
Base-Base interactions energy: -613.213
where: short stacking energy: -288.108
Base-Backbone interact. energy: 0.950
local terms energy: -289.443078
where:
bonds (distance) C4'-P energy: -52.281
bonds (distance) P-C4' energy: -50.331
flat angles C4'-P-C4' energy: -58.590
flat angles P-C4'-P energy: -44.004
tors. eta vs tors. theta energy: -84.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -831.057005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.057005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.057005 (E_RNA)
where:
Base-Base interactions energy: -572.797
where: short stacking energy: -253.595
Base-Backbone interact. energy: 0.864
local terms energy: -259.123751
where:
bonds (distance) C4'-P energy: -41.891
bonds (distance) P-C4' energy: -51.314
flat angles C4'-P-C4' energy: -58.345
flat angles P-C4'-P energy: -38.821
tors. eta vs tors. theta energy: -68.752
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: 10
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -694.978768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.978768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.978768 (E_RNA)
where:
Base-Base interactions energy: -470.505
where: short stacking energy: -206.376
Base-Backbone interact. energy: -0.729
local terms energy: -223.744788
where:
bonds (distance) C4'-P energy: -48.478
bonds (distance) P-C4' energy: -38.965
flat angles C4'-P-C4' energy: -45.774
flat angles P-C4'-P energy: -27.669
tors. eta vs tors. theta energy: -62.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -693.439104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.439104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.439104 (E_RNA)
where:
Base-Base interactions energy: -440.404
where: short stacking energy: -216.160
Base-Backbone interact. energy: -0.415
local terms energy: -252.619661
where:
bonds (distance) C4'-P energy: -52.372
bonds (distance) P-C4' energy: -54.682
flat angles C4'-P-C4' energy: -51.865
flat angles P-C4'-P energy: -37.732
tors. eta vs tors. theta energy: -55.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -570.666111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -570.666111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -570.666111 (E_RNA)
where:
Base-Base interactions energy: -366.967
where: short stacking energy: -153.376
Base-Backbone interact. energy: 2.575
local terms energy: -206.274202
where:
bonds (distance) C4'-P energy: -45.864
bonds (distance) P-C4' energy: -49.685
flat angles C4'-P-C4' energy: -46.811
flat angles P-C4'-P energy: -33.394
tors. eta vs tors. theta energy: -30.521
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: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -516.990136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.990136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.990136 (E_RNA)
where:
Base-Base interactions energy: -309.749
where: short stacking energy: -143.981
Base-Backbone interact. energy: 3.646
local terms energy: -210.887719
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -51.518
flat angles C4'-P-C4' energy: -53.501
flat angles P-C4'-P energy: -32.271
tors. eta vs tors. theta energy: -30.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -424.038775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.038775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.038775 (E_RNA)
where:
Base-Base interactions energy: -260.629
where: short stacking energy: -128.670
Base-Backbone interact. energy: 0.289
local terms energy: -163.698563
where:
bonds (distance) C4'-P energy: -47.777
bonds (distance) P-C4' energy: -43.179
flat angles C4'-P-C4' energy: -38.758
flat angles P-C4'-P energy: -20.571
tors. eta vs tors. theta energy: -13.413
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: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1037.078622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.078622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.078622 (E_RNA)
where:
Base-Base interactions energy: -732.753
where: short stacking energy: -301.912
Base-Backbone interact. energy: -0.469
local terms energy: -303.856000
where:
bonds (distance) C4'-P energy: -55.000
bonds (distance) P-C4' energy: -53.800
flat angles C4'-P-C4' energy: -66.182
flat angles P-C4'-P energy: -40.191
tors. eta vs tors. theta energy: -88.683
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: 2
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -976.544854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.544854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.544854 (E_RNA)
where:
Base-Base interactions energy: -661.423
where: short stacking energy: -278.887
Base-Backbone interact. energy: -3.056
local terms energy: -312.065934
where:
bonds (distance) C4'-P energy: -61.794
bonds (distance) P-C4' energy: -56.563
flat angles C4'-P-C4' energy: -63.110
flat angles P-C4'-P energy: -42.683
tors. eta vs tors. theta energy: -87.917
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: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -940.155891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -940.155891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -940.155891 (E_RNA)
where:
Base-Base interactions energy: -649.239
where: short stacking energy: -286.824
Base-Backbone interact. energy: -0.291
local terms energy: -290.625290
where:
bonds (distance) C4'-P energy: -50.595
bonds (distance) P-C4' energy: -51.642
flat angles C4'-P-C4' energy: -63.276
flat angles P-C4'-P energy: -38.961
tors. eta vs tors. theta energy: -86.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -852.739958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.739958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.739958 (E_RNA)
where:
Base-Base interactions energy: -590.659
where: short stacking energy: -253.800
Base-Backbone interact. energy: -0.786
local terms energy: -261.295392
where:
bonds (distance) C4'-P energy: -52.206
bonds (distance) P-C4' energy: -53.367
flat angles C4'-P-C4' energy: -56.098
flat angles P-C4'-P energy: -31.389
tors. eta vs tors. theta energy: -68.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -855.986681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.986681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.986681 (E_RNA)
where:
Base-Base interactions energy: -589.620
where: short stacking energy: -248.635
Base-Backbone interact. energy: -0.314
local terms energy: -266.052666
where:
bonds (distance) C4'-P energy: -60.097
bonds (distance) P-C4' energy: -58.905
flat angles C4'-P-C4' energy: -44.703
flat angles P-C4'-P energy: -28.436
tors. eta vs tors. theta energy: -73.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -667.985949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.985949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.985949 (E_RNA)
where:
Base-Base interactions energy: -435.798
where: short stacking energy: -221.530
Base-Backbone interact. energy: -0.407
local terms energy: -231.780542
where:
bonds (distance) C4'-P energy: -39.193
bonds (distance) P-C4' energy: -49.184
flat angles C4'-P-C4' energy: -52.281
flat angles P-C4'-P energy: -41.300
tors. eta vs tors. theta energy: -49.822
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: 10
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -696.140708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.140708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.140708 (E_RNA)
where:
Base-Base interactions energy: -466.931
where: short stacking energy: -189.882
Base-Backbone interact. energy: -1.074
local terms energy: -228.135505
where:
bonds (distance) C4'-P energy: -44.456
bonds (distance) P-C4' energy: -51.897
flat angles C4'-P-C4' energy: -48.951
flat angles P-C4'-P energy: -33.686
tors. eta vs tors. theta energy: -49.146
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: 1
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -524.282564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -524.282564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -524.282564 (E_RNA)
where:
Base-Base interactions energy: -326.620
where: short stacking energy: -170.901
Base-Backbone interact. energy: -0.584
local terms energy: -197.078673
where:
bonds (distance) C4'-P energy: -40.538
bonds (distance) P-C4' energy: -50.982
flat angles C4'-P-C4' energy: -45.022
flat angles P-C4'-P energy: -26.285
tors. eta vs tors. theta energy: -34.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -568.665665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.665665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.665665 (E_RNA)
where:
Base-Base interactions energy: -364.034
where: short stacking energy: -166.977
Base-Backbone interact. energy: 1.647
local terms energy: -206.278956
where:
bonds (distance) C4'-P energy: -47.220
bonds (distance) P-C4' energy: -44.933
flat angles C4'-P-C4' energy: -44.871
flat angles P-C4'-P energy: -26.160
tors. eta vs tors. theta energy: -43.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -448.648858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.648858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.648858 (E_RNA)
where:
Base-Base interactions energy: -278.299
where: short stacking energy: -128.832
Base-Backbone interact. energy: -0.791
local terms energy: -169.559112
where:
bonds (distance) C4'-P energy: -39.010
bonds (distance) P-C4' energy: -56.017
flat angles C4'-P-C4' energy: -47.650
flat angles P-C4'-P energy: -20.017
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1049.109066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.109066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.109066 (E_RNA)
where:
Base-Base interactions energy: -723.839
where: short stacking energy: -306.115
Base-Backbone interact. energy: -1.252
local terms energy: -324.018480
where:
bonds (distance) C4'-P energy: -60.794
bonds (distance) P-C4' energy: -63.747
flat angles C4'-P-C4' energy: -65.038
flat angles P-C4'-P energy: -41.247
tors. eta vs tors. theta energy: -93.193
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: 2, replica: 2
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -972.385674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.385674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.385674 (E_RNA)
where:
Base-Base interactions energy: -666.921
where: short stacking energy: -272.900
Base-Backbone interact. energy: -1.717
local terms energy: -303.748312
where:
bonds (distance) C4'-P energy: -53.122
bonds (distance) P-C4' energy: -52.573
flat angles C4'-P-C4' energy: -66.391
flat angles P-C4'-P energy: -41.023
tors. eta vs tors. theta energy: -90.640
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: 7
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -931.362101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.362101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.362101 (E_RNA)
where:
Base-Base interactions energy: -637.150
where: short stacking energy: -268.515
Base-Backbone interact. energy: -0.102
local terms energy: -294.109840
where:
bonds (distance) C4'-P energy: -45.408
bonds (distance) P-C4' energy: -58.870
flat angles C4'-P-C4' energy: -62.193
flat angles P-C4'-P energy: -44.562
tors. eta vs tors. theta energy: -83.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -888.715527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.715527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.715527 (E_RNA)
where:
Base-Base interactions energy: -611.540
where: short stacking energy: -274.944
Base-Backbone interact. energy: -2.173
local terms energy: -275.002542
where:
bonds (distance) C4'-P energy: -45.329
bonds (distance) P-C4' energy: -47.739
flat angles C4'-P-C4' energy: -59.911
flat angles P-C4'-P energy: -41.772
tors. eta vs tors. theta energy: -80.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -838.792818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.792818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.792818 (E_RNA)
where:
Base-Base interactions energy: -577.374
where: short stacking energy: -268.118
Base-Backbone interact. energy: 0.702
local terms energy: -262.121092
where:
bonds (distance) C4'-P energy: -44.853
bonds (distance) P-C4' energy: -53.475
flat angles C4'-P-C4' energy: -56.206
flat angles P-C4'-P energy: -36.898
tors. eta vs tors. theta energy: -70.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -693.355043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.355043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.355043 (E_RNA)
where:
Base-Base interactions energy: -441.921
where: short stacking energy: -215.508
Base-Backbone interact. energy: -0.191
local terms energy: -251.243038
where:
bonds (distance) C4'-P energy: -54.139
bonds (distance) P-C4' energy: -46.093
flat angles C4'-P-C4' energy: -58.685
flat angles P-C4'-P energy: -27.061
tors. eta vs tors. theta energy: -65.266
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: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -778.679629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.679629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.679629 (E_RNA)
where:
Base-Base interactions energy: -519.145
where: short stacking energy: -229.700
Base-Backbone interact. energy: -0.885
local terms energy: -258.649477
where:
bonds (distance) C4'-P energy: -50.417
bonds (distance) P-C4' energy: -49.001
flat angles C4'-P-C4' energy: -55.999
flat angles P-C4'-P energy: -41.435
tors. eta vs tors. theta energy: -61.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -537.323204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.323204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.323204 (E_RNA)
where:
Base-Base interactions energy: -326.700
where: short stacking energy: -176.998
Base-Backbone interact. energy: -2.033
local terms energy: -208.590814
where:
bonds (distance) C4'-P energy: -48.022
bonds (distance) P-C4' energy: -44.399
flat angles C4'-P-C4' energy: -51.219
flat angles P-C4'-P energy: -24.773
tors. eta vs tors. theta energy: -40.177
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: 3
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -446.552440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.552440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.552440 (E_RNA)
where:
Base-Base interactions energy: -268.243
where: short stacking energy: -130.686
Base-Backbone interact. energy: -0.494
local terms energy: -177.814825
where:
bonds (distance) C4'-P energy: -42.994
bonds (distance) P-C4' energy: -50.161
flat angles C4'-P-C4' energy: -50.967
flat angles P-C4'-P energy: -16.847
tors. eta vs tors. theta energy: -16.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -436.422380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.422380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.422380 (E_RNA)
where:
Base-Base interactions energy: -258.347
where: short stacking energy: -137.022
Base-Backbone interact. energy: -0.551
local terms energy: -177.524131
where:
bonds (distance) C4'-P energy: -37.363
bonds (distance) P-C4' energy: -50.358
flat angles C4'-P-C4' energy: -44.732
flat angles P-C4'-P energy: -23.669
tors. eta vs tors. theta energy: -21.402
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: 1, replica: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1033.509683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.509683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.509683 (E_RNA)
where:
Base-Base interactions energy: -739.336
where: short stacking energy: -304.510
Base-Backbone interact. energy: -0.669
local terms energy: -293.504601
where:
bonds (distance) C4'-P energy: -52.975
bonds (distance) P-C4' energy: -51.624
flat angles C4'-P-C4' energy: -58.202
flat angles P-C4'-P energy: -36.629
tors. eta vs tors. theta energy: -94.076
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: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -975.219727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.219727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.219727 (E_RNA)
where:
Base-Base interactions energy: -666.377
where: short stacking energy: -267.764
Base-Backbone interact. energy: -2.622
local terms energy: -306.220825
where:
bonds (distance) C4'-P energy: -56.431
bonds (distance) P-C4' energy: -58.250
flat angles C4'-P-C4' energy: -60.872
flat angles P-C4'-P energy: -40.671
tors. eta vs tors. theta energy: -89.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -946.973918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.973918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.973918 (E_RNA)
where:
Base-Base interactions energy: -663.196
where: short stacking energy: -281.066
Base-Backbone interact. energy: -0.510
local terms energy: -283.267561
where:
bonds (distance) C4'-P energy: -52.400
bonds (distance) P-C4' energy: -58.712
flat angles C4'-P-C4' energy: -54.815
flat angles P-C4'-P energy: -38.268
tors. eta vs tors. theta energy: -79.073
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: 8
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -874.826763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.826763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.826763 (E_RNA)
where:
Base-Base interactions energy: -605.444
where: short stacking energy: -253.021
Base-Backbone interact. energy: -0.372
local terms energy: -269.010724
where:
bonds (distance) C4'-P energy: -51.540
bonds (distance) P-C4' energy: -60.193
flat angles C4'-P-C4' energy: -52.600
flat angles P-C4'-P energy: -41.307
tors. eta vs tors. theta energy: -63.371
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: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -818.061516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -818.061516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -818.061516 (E_RNA)
where:
Base-Base interactions energy: -551.721
where: short stacking energy: -238.772
Base-Backbone interact. energy: -1.432
local terms energy: -264.908059
where:
bonds (distance) C4'-P energy: -49.840
bonds (distance) P-C4' energy: -48.424
flat angles C4'-P-C4' energy: -48.791
flat angles P-C4'-P energy: -40.012
tors. eta vs tors. theta energy: -77.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -785.595865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.595865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.595865 (E_RNA)
where:
Base-Base interactions energy: -516.718
where: short stacking energy: -225.777
Base-Backbone interact. energy: -0.660
local terms energy: -268.217625
where:
bonds (distance) C4'-P energy: -54.833
bonds (distance) P-C4' energy: -53.424
flat angles C4'-P-C4' energy: -62.662
flat angles P-C4'-P energy: -28.728
tors. eta vs tors. theta energy: -68.571
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: 9
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -655.825588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.825588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.825588 (E_RNA)
where:
Base-Base interactions energy: -432.629
where: short stacking energy: -188.481
Base-Backbone interact. energy: -0.271
local terms energy: -222.925765
where:
bonds (distance) C4'-P energy: -47.993
bonds (distance) P-C4' energy: -55.999
flat angles C4'-P-C4' energy: -43.420
flat angles P-C4'-P energy: -28.043
tors. eta vs tors. theta energy: -47.471
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: 1
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -507.029192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.029192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.029192 (E_RNA)
where:
Base-Base interactions energy: -296.566
where: short stacking energy: -118.695
Base-Backbone interact. energy: 4.092
local terms energy: -214.555193
where:
bonds (distance) C4'-P energy: -54.908
bonds (distance) P-C4' energy: -47.293
flat angles C4'-P-C4' energy: -57.161
flat angles P-C4'-P energy: -37.526
tors. eta vs tors. theta energy: -17.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -380.111947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.111947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.111947 (E_RNA)
where:
Base-Base interactions energy: -203.619
where: short stacking energy: -113.789
Base-Backbone interact. energy: -1.430
local terms energy: -175.063145
where:
bonds (distance) C4'-P energy: -38.112
bonds (distance) P-C4' energy: -47.014
flat angles C4'-P-C4' energy: -44.441
flat angles P-C4'-P energy: -30.149
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -429.548768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -429.548768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -429.548768 (E_RNA)
where:
Base-Base interactions energy: -248.192
where: short stacking energy: -115.550
Base-Backbone interact. energy: -1.075
local terms energy: -180.281610
where:
bonds (distance) C4'-P energy: -43.468
bonds (distance) P-C4' energy: -56.718
flat angles C4'-P-C4' energy: -44.623
flat angles P-C4'-P energy: -20.849
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1033.695888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.695888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.695888 (E_RNA)
where:
Base-Base interactions energy: -712.928
where: short stacking energy: -298.547
Base-Backbone interact. energy: -1.181
local terms energy: -319.587774
where:
bonds (distance) C4'-P energy: -49.381
bonds (distance) P-C4' energy: -63.722
flat angles C4'-P-C4' energy: -68.154
flat angles P-C4'-P energy: -47.995
tors. eta vs tors. theta energy: -90.337
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: 2
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -955.618931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.618931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.618931 (E_RNA)
where:
Base-Base interactions energy: -660.065
where: short stacking energy: -278.874
Base-Backbone interact. energy: -2.834
local terms energy: -292.719447
where:
bonds (distance) C4'-P energy: -49.182
bonds (distance) P-C4' energy: -53.143
flat angles C4'-P-C4' energy: -67.984
flat angles P-C4'-P energy: -42.328
tors. eta vs tors. theta energy: -80.083
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: 7
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -967.284684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.284684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.284684 (E_RNA)
where:
Base-Base interactions energy: -668.295
where: short stacking energy: -299.628
Base-Backbone interact. energy: -0.567
local terms energy: -298.423388
where:
bonds (distance) C4'-P energy: -54.237
bonds (distance) P-C4' energy: -53.927
flat angles C4'-P-C4' energy: -65.568
flat angles P-C4'-P energy: -38.620
tors. eta vs tors. theta energy: -86.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -876.623478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.623478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.623478 (E_RNA)
where:
Base-Base interactions energy: -597.521
where: short stacking energy: -260.896
Base-Backbone interact. energy: 0.368
local terms energy: -279.470455
where:
bonds (distance) C4'-P energy: -48.450
bonds (distance) P-C4' energy: -57.298
flat angles C4'-P-C4' energy: -58.991
flat angles P-C4'-P energy: -34.434
tors. eta vs tors. theta energy: -80.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -796.636688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.636688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.636688 (E_RNA)
where:
Base-Base interactions energy: -533.235
where: short stacking energy: -231.581
Base-Backbone interact. energy: -1.960
local terms energy: -261.442392
where:
bonds (distance) C4'-P energy: -48.254
bonds (distance) P-C4' energy: -54.905
flat angles C4'-P-C4' energy: -54.459
flat angles P-C4'-P energy: -35.797
tors. eta vs tors. theta energy: -68.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -802.798180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.798180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.798180 (E_RNA)
where:
Base-Base interactions energy: -542.463
where: short stacking energy: -225.120
Base-Backbone interact. energy: -1.174
local terms energy: -259.161036
where:
bonds (distance) C4'-P energy: -52.879
bonds (distance) P-C4' energy: -47.000
flat angles C4'-P-C4' energy: -55.999
flat angles P-C4'-P energy: -36.163
tors. eta vs tors. theta energy: -67.120
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: 9
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -663.456204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.456204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.456204 (E_RNA)
where:
Base-Base interactions energy: -431.336
where: short stacking energy: -199.987
Base-Backbone interact. energy: -2.121
local terms energy: -229.999344
where:
bonds (distance) C4'-P energy: -46.716
bonds (distance) P-C4' energy: -53.567
flat angles C4'-P-C4' energy: -55.001
flat angles P-C4'-P energy: -33.298
tors. eta vs tors. theta energy: -41.417
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: 8, replica: 1
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -577.916114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.916114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.916114 (E_RNA)
where:
Base-Base interactions energy: -385.615
where: short stacking energy: -171.602
Base-Backbone interact. energy: -2.792
local terms energy: -189.508827
where:
bonds (distance) C4'-P energy: -51.108
bonds (distance) P-C4' energy: -43.232
flat angles C4'-P-C4' energy: -39.317
flat angles P-C4'-P energy: -29.143
tors. eta vs tors. theta energy: -26.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -446.290299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.290299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.290299 (E_RNA)
where:
Base-Base interactions energy: -253.673
where: short stacking energy: -130.425
Base-Backbone interact. energy: -0.593
local terms energy: -192.023611
where:
bonds (distance) C4'-P energy: -51.659
bonds (distance) P-C4' energy: -40.974
flat angles C4'-P-C4' energy: -54.864
flat angles P-C4'-P energy: -25.749
tors. eta vs tors. theta energy: -18.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -400.818247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -400.818247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -400.818247 (E_RNA)
where:
Base-Base interactions energy: -212.499
where: short stacking energy: -106.519
Base-Backbone interact. energy: -2.674
local terms energy: -185.644916
where:
bonds (distance) C4'-P energy: -46.382
bonds (distance) P-C4' energy: -51.654
flat angles C4'-P-C4' energy: -46.645
flat angles P-C4'-P energy: -27.162
tors. eta vs tors. theta energy: -13.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1020.875315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.875315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.875315 (E_RNA)
where:
Base-Base interactions energy: -719.520
where: short stacking energy: -304.202
Base-Backbone interact. energy: -0.688
local terms energy: -300.667356
where:
bonds (distance) C4'-P energy: -53.054
bonds (distance) P-C4' energy: -57.745
flat angles C4'-P-C4' energy: -62.678
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -88.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1000.005741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.005741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.005741 (E_RNA)
where:
Base-Base interactions energy: -684.589
where: short stacking energy: -290.346
Base-Backbone interact. energy: -1.537
local terms energy: -313.879626
where:
bonds (distance) C4'-P energy: -52.270
bonds (distance) P-C4' energy: -66.683
flat angles C4'-P-C4' energy: -61.525
flat angles P-C4'-P energy: -43.813
tors. eta vs tors. theta energy: -89.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -953.711794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.711794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.711794 (E_RNA)
where:
Base-Base interactions energy: -676.850
where: short stacking energy: -284.112
Base-Backbone interact. energy: -1.008
local terms energy: -275.854389
where:
bonds (distance) C4'-P energy: -49.223
bonds (distance) P-C4' energy: -45.081
flat angles C4'-P-C4' energy: -61.693
flat angles P-C4'-P energy: -36.912
tors. eta vs tors. theta energy: -82.946
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: 267
Temperature: 1.050000
Total energy: -877.698309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.698309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.698309 (E_RNA)
where:
Base-Base interactions energy: -591.723
where: short stacking energy: -276.649
Base-Backbone interact. energy: -1.824
local terms energy: -284.151975
where:
bonds (distance) C4'-P energy: -50.470
bonds (distance) P-C4' energy: -50.264
flat angles C4'-P-C4' energy: -65.790
flat angles P-C4'-P energy: -32.295
tors. eta vs tors. theta energy: -85.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -811.335183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.335183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.335183 (E_RNA)
where:
Base-Base interactions energy: -535.955
where: short stacking energy: -245.971
Base-Backbone interact. energy: -0.104
local terms energy: -275.275625
where:
bonds (distance) C4'-P energy: -49.620
bonds (distance) P-C4' energy: -48.394
flat angles C4'-P-C4' energy: -58.339
flat angles P-C4'-P energy: -44.217
tors. eta vs tors. theta energy: -74.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -789.738087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.738087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.738087 (E_RNA)
where:
Base-Base interactions energy: -533.404
where: short stacking energy: -220.589
Base-Backbone interact. energy: -3.616
local terms energy: -252.718690
where:
bonds (distance) C4'-P energy: -49.654
bonds (distance) P-C4' energy: -48.797
flat angles C4'-P-C4' energy: -60.570
flat angles P-C4'-P energy: -30.415
tors. eta vs tors. theta energy: -63.283
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: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -680.155151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.155151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.155151 (E_RNA)
where:
Base-Base interactions energy: -458.908
where: short stacking energy: -217.910
Base-Backbone interact. energy: 0.187
local terms energy: -221.434252
where:
bonds (distance) C4'-P energy: -39.860
bonds (distance) P-C4' energy: -40.987
flat angles C4'-P-C4' energy: -52.188
flat angles P-C4'-P energy: -28.362
tors. eta vs tors. theta energy: -60.036
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: 267
Temperature: 1.250000
Total energy: -633.729764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.729764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.729764 (E_RNA)
where:
Base-Base interactions energy: -434.803
where: short stacking energy: -188.013
Base-Backbone interact. energy: -0.046
local terms energy: -198.880520
where:
bonds (distance) C4'-P energy: -40.782
bonds (distance) P-C4' energy: -43.716
flat angles C4'-P-C4' energy: -38.828
flat angles P-C4'-P energy: -39.572
tors. eta vs tors. theta energy: -35.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -480.306460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.306460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.306460 (E_RNA)
where:
Base-Base interactions energy: -282.610
where: short stacking energy: -154.107
Base-Backbone interact. energy: -1.860
local terms energy: -195.836651
where:
bonds (distance) C4'-P energy: -45.846
bonds (distance) P-C4' energy: -55.235
flat angles C4'-P-C4' energy: -38.138
flat angles P-C4'-P energy: -31.852
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -380.823970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.823970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.823970 (E_RNA)
where:
Base-Base interactions energy: -191.850
where: short stacking energy: -112.332
Base-Backbone interact. energy: -0.925
local terms energy: -188.049240
where:
bonds (distance) C4'-P energy: -40.304
bonds (distance) P-C4' energy: -50.191
flat angles C4'-P-C4' energy: -41.768
flat angles P-C4'-P energy: -32.746
tors. eta vs tors. theta energy: -23.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -986.993166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.993166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.993166 (E_RNA)
where:
Base-Base interactions energy: -682.947
where: short stacking energy: -292.289
Base-Backbone interact. energy: -1.879
local terms energy: -302.166986
where:
bonds (distance) C4'-P energy: -45.405
bonds (distance) P-C4' energy: -60.539
flat angles C4'-P-C4' energy: -60.098
flat angles P-C4'-P energy: -46.954
tors. eta vs tors. theta energy: -89.172
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: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1006.804531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.804531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.804531 (E_RNA)
where:
Base-Base interactions energy: -692.836
where: short stacking energy: -297.144
Base-Backbone interact. energy: -2.212
local terms energy: -311.756734
where:
bonds (distance) C4'-P energy: -58.294
bonds (distance) P-C4' energy: -55.792
flat angles C4'-P-C4' energy: -64.546
flat angles P-C4'-P energy: -42.709
tors. eta vs tors. theta energy: -90.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -975.035177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.035177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.035177 (E_RNA)
where:
Base-Base interactions energy: -678.744
where: short stacking energy: -286.166
Base-Backbone interact. energy: -6.176
local terms energy: -290.115334
where:
bonds (distance) C4'-P energy: -44.805
bonds (distance) P-C4' energy: -46.635
flat angles C4'-P-C4' energy: -68.182
flat angles P-C4'-P energy: -44.917
tors. eta vs tors. theta energy: -85.577
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: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -885.215097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.215097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.215097 (E_RNA)
where:
Base-Base interactions energy: -601.928
where: short stacking energy: -274.347
Base-Backbone interact. energy: -2.000
local terms energy: -281.286588
where:
bonds (distance) C4'-P energy: -56.516
bonds (distance) P-C4' energy: -53.462
flat angles C4'-P-C4' energy: -52.935
flat angles P-C4'-P energy: -37.621
tors. eta vs tors. theta energy: -80.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -844.691411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.691411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.691411 (E_RNA)
where:
Base-Base interactions energy: -578.002
where: short stacking energy: -245.749
Base-Backbone interact. energy: -1.594
local terms energy: -265.095093
where:
bonds (distance) C4'-P energy: -47.275
bonds (distance) P-C4' energy: -45.244
flat angles C4'-P-C4' energy: -60.864
flat angles P-C4'-P energy: -35.132
tors. eta vs tors. theta energy: -76.581
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: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -778.317463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.317463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.317463 (E_RNA)
where:
Base-Base interactions energy: -515.577
where: short stacking energy: -236.702
Base-Backbone interact. energy: -1.101
local terms energy: -261.638570
where:
bonds (distance) C4'-P energy: -43.362
bonds (distance) P-C4' energy: -57.570
flat angles C4'-P-C4' energy: -53.231
flat angles P-C4'-P energy: -36.561
tors. eta vs tors. theta energy: -70.915
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: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -648.046055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.046055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.046055 (E_RNA)
where:
Base-Base interactions energy: -414.609
where: short stacking energy: -196.262
Base-Backbone interact. energy: -0.399
local terms energy: -233.037937
where:
bonds (distance) C4'-P energy: -41.090
bonds (distance) P-C4' energy: -52.800
flat angles C4'-P-C4' energy: -48.185
flat angles P-C4'-P energy: -36.920
tors. eta vs tors. theta energy: -54.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -600.782995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.782995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.782995 (E_RNA)
where:
Base-Base interactions energy: -360.678
where: short stacking energy: -167.506
Base-Backbone interact. energy: -1.519
local terms energy: -238.585939
where:
bonds (distance) C4'-P energy: -59.270
bonds (distance) P-C4' energy: -55.106
flat angles C4'-P-C4' energy: -56.700
flat angles P-C4'-P energy: -34.182
tors. eta vs tors. theta energy: -33.328
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: 9, replica: 3
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -377.028750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.028750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.028750 (E_RNA)
where:
Base-Base interactions energy: -200.496
where: short stacking energy: -114.272
Base-Backbone interact. energy: 2.143
local terms energy: -178.675543
where:
bonds (distance) C4'-P energy: -50.585
bonds (distance) P-C4' energy: -45.021
flat angles C4'-P-C4' energy: -39.783
flat angles P-C4'-P energy: -34.118
tors. eta vs tors. theta energy: -9.168
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: 6
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -475.426315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.426315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.426315 (E_RNA)
where:
Base-Base interactions energy: -289.487
where: short stacking energy: -151.243
Base-Backbone interact. energy: 1.721
local terms energy: -187.660333
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -43.216
flat angles C4'-P-C4' energy: -35.989
flat angles P-C4'-P energy: -27.202
tors. eta vs tors. theta energy: -30.930
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: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -986.300268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.300268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.300268 (E_RNA)
where:
Base-Base interactions energy: -684.363
where: short stacking energy: -285.923
Base-Backbone interact. energy: -1.492
local terms energy: -300.446039
where:
bonds (distance) C4'-P energy: -55.818
bonds (distance) P-C4' energy: -57.752
flat angles C4'-P-C4' energy: -57.783
flat angles P-C4'-P energy: -44.155
tors. eta vs tors. theta energy: -84.937
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: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -998.306938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.306938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.306938 (E_RNA)
where:
Base-Base interactions energy: -702.859
where: short stacking energy: -280.330
Base-Backbone interact. energy: -0.339
local terms energy: -295.108466
where:
bonds (distance) C4'-P energy: -47.883
bonds (distance) P-C4' energy: -55.886
flat angles C4'-P-C4' energy: -61.805
flat angles P-C4'-P energy: -45.303
tors. eta vs tors. theta energy: -84.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -938.498270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.498270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.498270 (E_RNA)
where:
Base-Base interactions energy: -646.821
where: short stacking energy: -266.741
Base-Backbone interact. energy: -0.368
local terms energy: -291.308437
where:
bonds (distance) C4'-P energy: -50.294
bonds (distance) P-C4' energy: -57.610
flat angles C4'-P-C4' energy: -60.081
flat angles P-C4'-P energy: -36.960
tors. eta vs tors. theta energy: -86.364
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: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -880.123938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.123938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.123938 (E_RNA)
where:
Base-Base interactions energy: -593.323
where: short stacking energy: -271.477
Base-Backbone interact. energy: 0.654
local terms energy: -287.454870
where:
bonds (distance) C4'-P energy: -45.630
bonds (distance) P-C4' energy: -61.735
flat angles C4'-P-C4' energy: -63.490
flat angles P-C4'-P energy: -36.978
tors. eta vs tors. theta energy: -79.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -833.716484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.716484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.716484 (E_RNA)
where:
Base-Base interactions energy: -558.547
where: short stacking energy: -233.619
Base-Backbone interact. energy: -0.162
local terms energy: -275.007811
where:
bonds (distance) C4'-P energy: -51.704
bonds (distance) P-C4' energy: -48.281
flat angles C4'-P-C4' energy: -59.629
flat angles P-C4'-P energy: -41.383
tors. eta vs tors. theta energy: -74.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -766.720273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.720273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.720273 (E_RNA)
where:
Base-Base interactions energy: -525.310
where: short stacking energy: -225.878
Base-Backbone interact. energy: -1.830
local terms energy: -239.580008
where:
bonds (distance) C4'-P energy: -52.213
bonds (distance) P-C4' energy: -46.924
flat angles C4'-P-C4' energy: -50.919
flat angles P-C4'-P energy: -33.994
tors. eta vs tors. theta energy: -55.531
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: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -652.279339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.279339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.279339 (E_RNA)
where:
Base-Base interactions energy: -418.216
where: short stacking energy: -205.049
Base-Backbone interact. energy: -0.901
local terms energy: -233.163301
where:
bonds (distance) C4'-P energy: -55.509
bonds (distance) P-C4' energy: -46.666
flat angles C4'-P-C4' energy: -51.489
flat angles P-C4'-P energy: -26.909
tors. eta vs tors. theta energy: -52.590
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: 1
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -664.113389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.113389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.113389 (E_RNA)
where:
Base-Base interactions energy: -427.394
where: short stacking energy: -182.396
Base-Backbone interact. energy: 1.858
local terms energy: -238.578314
where:
bonds (distance) C4'-P energy: -47.947
bonds (distance) P-C4' energy: -51.711
flat angles C4'-P-C4' energy: -58.540
flat angles P-C4'-P energy: -32.762
tors. eta vs tors. theta energy: -47.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -372.645642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.645642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.645642 (E_RNA)
where:
Base-Base interactions energy: -201.123
where: short stacking energy: -98.586
Base-Backbone interact. energy: -1.622
local terms energy: -169.900803
where:
bonds (distance) C4'-P energy: -48.239
bonds (distance) P-C4' energy: -46.898
flat angles C4'-P-C4' energy: -45.801
flat angles P-C4'-P energy: -29.324
tors. eta vs tors. theta energy: 0.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -455.449586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.449586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.449586 (E_RNA)
where:
Base-Base interactions energy: -272.459
where: short stacking energy: -142.781
Base-Backbone interact. energy: -0.456
local terms energy: -182.534118
where:
bonds (distance) C4'-P energy: -43.027
bonds (distance) P-C4' energy: -49.172
flat angles C4'-P-C4' energy: -36.474
flat angles P-C4'-P energy: -23.971
tors. eta vs tors. theta energy: -29.891
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: 4
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1032.816979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.816979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.816979 (E_RNA)
where:
Base-Base interactions energy: -729.793
where: short stacking energy: -305.600
Base-Backbone interact. energy: -0.433
local terms energy: -302.591301
where:
bonds (distance) C4'-P energy: -53.823
bonds (distance) P-C4' energy: -53.084
flat angles C4'-P-C4' energy: -63.858
flat angles P-C4'-P energy: -46.342
tors. eta vs tors. theta energy: -85.484
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: 7
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -983.806503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.806503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.806503 (E_RNA)
where:
Base-Base interactions energy: -666.215
where: short stacking energy: -288.936
Base-Backbone interact. energy: -0.246
local terms energy: -317.344977
where:
bonds (distance) C4'-P energy: -61.547
bonds (distance) P-C4' energy: -59.958
flat angles C4'-P-C4' energy: -64.204
flat angles P-C4'-P energy: -44.699
tors. eta vs tors. theta energy: -86.937
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: 2
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -968.306210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.306210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.306210 (E_RNA)
where:
Base-Base interactions energy: -669.607
where: short stacking energy: -297.553
Base-Backbone interact. energy: -0.594
local terms energy: -298.104933
where:
bonds (distance) C4'-P energy: -52.755
bonds (distance) P-C4' energy: -50.242
flat angles C4'-P-C4' energy: -62.754
flat angles P-C4'-P energy: -41.942
tors. eta vs tors. theta energy: -90.412
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: 4, replica: 8
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -901.035009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.035009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.035009 (E_RNA)
where:
Base-Base interactions energy: -609.646
where: short stacking energy: -251.312
Base-Backbone interact. energy: -1.207
local terms energy: -290.182007
where:
bonds (distance) C4'-P energy: -59.292
bonds (distance) P-C4' energy: -58.170
flat angles C4'-P-C4' energy: -62.030
flat angles P-C4'-P energy: -32.805
tors. eta vs tors. theta energy: -77.885
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: 10
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -831.300035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.300035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.300035 (E_RNA)
where:
Base-Base interactions energy: -551.853
where: short stacking energy: -245.520
Base-Backbone interact. energy: -1.211
local terms energy: -278.235587
where:
bonds (distance) C4'-P energy: -51.196
bonds (distance) P-C4' energy: -57.666
flat angles C4'-P-C4' energy: -59.880
flat angles P-C4'-P energy: -39.434
tors. eta vs tors. theta energy: -70.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -793.094666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.094666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.094666 (E_RNA)
where:
Base-Base interactions energy: -535.465
where: short stacking energy: -229.343
Base-Backbone interact. energy: -0.446
local terms energy: -257.184021
where:
bonds (distance) C4'-P energy: -56.579
bonds (distance) P-C4' energy: -53.215
flat angles C4'-P-C4' energy: -49.407
flat angles P-C4'-P energy: -33.778
tors. eta vs tors. theta energy: -64.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -678.196275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.196275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.196275 (E_RNA)
where:
Base-Base interactions energy: -426.859
where: short stacking energy: -191.091
Base-Backbone interact. energy: -0.737
local terms energy: -250.600315
where:
bonds (distance) C4'-P energy: -54.752
bonds (distance) P-C4' energy: -54.269
flat angles C4'-P-C4' energy: -58.428
flat angles P-C4'-P energy: -32.079
tors. eta vs tors. theta energy: -51.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -617.231481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.231481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.231481 (E_RNA)
where:
Base-Base interactions energy: -391.706
where: short stacking energy: -185.529
Base-Backbone interact. energy: -0.757
local terms energy: -224.768465
where:
bonds (distance) C4'-P energy: -41.179
bonds (distance) P-C4' energy: -38.225
flat angles C4'-P-C4' energy: -57.628
flat angles P-C4'-P energy: -37.374
tors. eta vs tors. theta energy: -50.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -463.118362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.118362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.118362 (E_RNA)
where:
Base-Base interactions energy: -265.595
where: short stacking energy: -139.467
Base-Backbone interact. energy: -1.289
local terms energy: -196.233873
where:
bonds (distance) C4'-P energy: -51.367
bonds (distance) P-C4' energy: -51.825
flat angles C4'-P-C4' energy: -47.897
flat angles P-C4'-P energy: -19.734
tors. eta vs tors. theta energy: -25.411
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: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -332.967906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.967906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.967906 (E_RNA)
where:
Base-Base interactions energy: -163.975
where: short stacking energy: -107.443
Base-Backbone interact. energy: -1.074
local terms energy: -167.919087
where:
bonds (distance) C4'-P energy: -55.847
bonds (distance) P-C4' energy: -44.292
flat angles C4'-P-C4' energy: -48.170
flat angles P-C4'-P energy: -11.992
tors. eta vs tors. theta energy: -7.619
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: 4
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1011.723213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.723213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.723213 (E_RNA)
where:
Base-Base interactions energy: -716.038
where: short stacking energy: -294.461
Base-Backbone interact. energy: -0.310
local terms energy: -295.375940
where:
bonds (distance) C4'-P energy: -53.868
bonds (distance) P-C4' energy: -53.774
flat angles C4'-P-C4' energy: -58.710
flat angles P-C4'-P energy: -46.206
tors. eta vs tors. theta energy: -82.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -967.713771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.713771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.713771 (E_RNA)
where:
Base-Base interactions energy: -665.071
where: short stacking energy: -278.178
Base-Backbone interact. energy: -2.581
local terms energy: -300.062212
where:
bonds (distance) C4'-P energy: -53.694
bonds (distance) P-C4' energy: -63.782
flat angles C4'-P-C4' energy: -58.621
flat angles P-C4'-P energy: -38.822
tors. eta vs tors. theta energy: -85.144
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: 271
Temperature: 1.000000
Total energy: -939.531084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.531084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.531084 (E_RNA)
where:
Base-Base interactions energy: -661.659
where: short stacking energy: -275.985
Base-Backbone interact. energy: 0.292
local terms energy: -278.164046
where:
bonds (distance) C4'-P energy: -52.000
bonds (distance) P-C4' energy: -44.682
flat angles C4'-P-C4' energy: -56.968
flat angles P-C4'-P energy: -40.716
tors. eta vs tors. theta energy: -83.798
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: 271
Temperature: 1.050000
Total energy: -884.058499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.058499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.058499 (E_RNA)
where:
Base-Base interactions energy: -613.881
where: short stacking energy: -253.306
Base-Backbone interact. energy: -1.098
local terms energy: -269.078754
where:
bonds (distance) C4'-P energy: -53.241
bonds (distance) P-C4' energy: -41.335
flat angles C4'-P-C4' energy: -60.129
flat angles P-C4'-P energy: -40.453
tors. eta vs tors. theta energy: -73.920
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: 5, replica: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -823.589340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.589340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.589340 (E_RNA)
where:
Base-Base interactions energy: -543.732
where: short stacking energy: -250.844
Base-Backbone interact. energy: -0.617
local terms energy: -279.240391
where:
bonds (distance) C4'-P energy: -47.196
bonds (distance) P-C4' energy: -55.142
flat angles C4'-P-C4' energy: -68.517
flat angles P-C4'-P energy: -35.729
tors. eta vs tors. theta energy: -72.656
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: 6, replica: 1
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -719.962707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.962707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.962707 (E_RNA)
where:
Base-Base interactions energy: -476.967
where: short stacking energy: -219.214
Base-Backbone interact. energy: 0.451
local terms energy: -243.446658
where:
bonds (distance) C4'-P energy: -46.727
bonds (distance) P-C4' energy: -52.101
flat angles C4'-P-C4' energy: -50.666
flat angles P-C4'-P energy: -35.326
tors. eta vs tors. theta energy: -58.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -752.141503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.141503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.141503 (E_RNA)
where:
Base-Base interactions energy: -511.627
where: short stacking energy: -221.242
Base-Backbone interact. energy: -2.157
local terms energy: -238.357649
where:
bonds (distance) C4'-P energy: -50.992
bonds (distance) P-C4' energy: -37.324
flat angles C4'-P-C4' energy: -41.363
flat angles P-C4'-P energy: -41.800
tors. eta vs tors. theta energy: -66.879
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: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -605.332779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.332779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.332779 (E_RNA)
where:
Base-Base interactions energy: -382.950
where: short stacking energy: -171.489
Base-Backbone interact. energy: -0.117
local terms energy: -222.265540
where:
bonds (distance) C4'-P energy: -53.046
bonds (distance) P-C4' energy: -41.925
flat angles C4'-P-C4' energy: -56.115
flat angles P-C4'-P energy: -23.509
tors. eta vs tors. theta energy: -47.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -459.413431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.413431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.413431 (E_RNA)
where:
Base-Base interactions energy: -261.280
where: short stacking energy: -136.367
Base-Backbone interact. energy: -1.784
local terms energy: -196.349885
where:
bonds (distance) C4'-P energy: -51.242
bonds (distance) P-C4' energy: -42.907
flat angles C4'-P-C4' energy: -46.161
flat angles P-C4'-P energy: -31.967
tors. eta vs tors. theta energy: -24.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -327.101200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.101200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.101200 (E_RNA)
where:
Base-Base interactions energy: -168.443
where: short stacking energy: -106.809
Base-Backbone interact. energy: -1.567
local terms energy: -157.091904
where:
bonds (distance) C4'-P energy: -39.690
bonds (distance) P-C4' energy: -39.660
flat angles C4'-P-C4' energy: -52.066
flat angles P-C4'-P energy: -21.710
tors. eta vs tors. theta energy: -3.967
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: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1021.359589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.359589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.359589 (E_RNA)
where:
Base-Base interactions energy: -723.030
where: short stacking energy: -312.386
Base-Backbone interact. energy: -1.441
local terms energy: -296.889327
where:
bonds (distance) C4'-P energy: -57.873
bonds (distance) P-C4' energy: -43.179
flat angles C4'-P-C4' energy: -68.094
flat angles P-C4'-P energy: -42.243
tors. eta vs tors. theta energy: -85.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -965.468445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.468445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.468445 (E_RNA)
where:
Base-Base interactions energy: -658.737
where: short stacking energy: -275.954
Base-Backbone interact. energy: -1.938
local terms energy: -304.792774
where:
bonds (distance) C4'-P energy: -59.138
bonds (distance) P-C4' energy: -61.942
flat angles C4'-P-C4' energy: -51.415
flat angles P-C4'-P energy: -40.337
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: 3, replica: 7
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -942.387438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.387438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.387438 (E_RNA)
where:
Base-Base interactions energy: -658.427
where: short stacking energy: -271.031
Base-Backbone interact. energy: -2.106
local terms energy: -281.853912
where:
bonds (distance) C4'-P energy: -58.487
bonds (distance) P-C4' energy: -49.940
flat angles C4'-P-C4' energy: -52.590
flat angles P-C4'-P energy: -41.488
tors. eta vs tors. theta energy: -79.349
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: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -900.370727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.370727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.370727 (E_RNA)
where:
Base-Base interactions energy: -620.833
where: short stacking energy: -262.280
Base-Backbone interact. energy: 1.486
local terms energy: -281.023992
where:
bonds (distance) C4'-P energy: -47.734
bonds (distance) P-C4' energy: -53.606
flat angles C4'-P-C4' energy: -57.946
flat angles P-C4'-P energy: -42.023
tors. eta vs tors. theta energy: -79.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -815.200516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.200516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.200516 (E_RNA)
where:
Base-Base interactions energy: -551.456
where: short stacking energy: -225.734
Base-Backbone interact. energy: -1.234
local terms energy: -262.510309
where:
bonds (distance) C4'-P energy: -51.424
bonds (distance) P-C4' energy: -57.042
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -39.094
tors. eta vs tors. theta energy: -68.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -705.210897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.210897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.210897 (E_RNA)
where:
Base-Base interactions energy: -460.400
where: short stacking energy: -205.562
Base-Backbone interact. energy: -1.220
local terms energy: -243.591162
where:
bonds (distance) C4'-P energy: -42.588
bonds (distance) P-C4' energy: -49.197
flat angles C4'-P-C4' energy: -59.316
flat angles P-C4'-P energy: -31.199
tors. eta vs tors. theta energy: -61.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -776.850380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.850380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.850380 (E_RNA)
where:
Base-Base interactions energy: -520.272
where: short stacking energy: -228.729
Base-Backbone interact. energy: -1.018
local terms energy: -255.560475
where:
bonds (distance) C4'-P energy: -51.461
bonds (distance) P-C4' energy: -51.403
flat angles C4'-P-C4' energy: -57.354
flat angles P-C4'-P energy: -36.892
tors. eta vs tors. theta energy: -58.451
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: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -559.217065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.217065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.217065 (E_RNA)
where:
Base-Base interactions energy: -357.417
where: short stacking energy: -156.101
Base-Backbone interact. energy: -1.648
local terms energy: -200.151241
where:
bonds (distance) C4'-P energy: -31.055
bonds (distance) P-C4' energy: -52.253
flat angles C4'-P-C4' energy: -51.140
flat angles P-C4'-P energy: -32.537
tors. eta vs tors. theta energy: -33.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -500.946912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -500.946912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -500.946912 (E_RNA)
where:
Base-Base interactions energy: -298.890
where: short stacking energy: -155.658
Base-Backbone interact. energy: 0.528
local terms energy: -202.584889
where:
bonds (distance) C4'-P energy: -38.841
bonds (distance) P-C4' energy: -56.780
flat angles C4'-P-C4' energy: -48.172
flat angles P-C4'-P energy: -29.920
tors. eta vs tors. theta energy: -28.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -350.101319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.101319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.101319 (E_RNA)
where:
Base-Base interactions energy: -181.432
where: short stacking energy: -100.064
Base-Backbone interact. energy: 2.000
local terms energy: -170.669496
where:
bonds (distance) C4'-P energy: -46.771
bonds (distance) P-C4' energy: -41.976
flat angles C4'-P-C4' energy: -39.607
flat angles P-C4'-P energy: -33.452
tors. eta vs tors. theta energy: -8.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1020.795127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.795127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.795127 (E_RNA)
where:
Base-Base interactions energy: -717.742
where: short stacking energy: -294.956
Base-Backbone interact. energy: -0.951
local terms energy: -302.101967
where:
bonds (distance) C4'-P energy: -57.585
bonds (distance) P-C4' energy: -55.009
flat angles C4'-P-C4' energy: -62.023
flat angles P-C4'-P energy: -44.725
tors. eta vs tors. theta energy: -82.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -967.238795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.238795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.238795 (E_RNA)
where:
Base-Base interactions energy: -664.156
where: short stacking energy: -280.906
Base-Backbone interact. energy: -1.273
local terms energy: -301.808870
where:
bonds (distance) C4'-P energy: -51.454
bonds (distance) P-C4' energy: -58.160
flat angles C4'-P-C4' energy: -60.296
flat angles P-C4'-P energy: -40.972
tors. eta vs tors. theta energy: -90.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -943.668998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.668998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.668998 (E_RNA)
where:
Base-Base interactions energy: -665.306
where: short stacking energy: -271.563
Base-Backbone interact. energy: -0.651
local terms energy: -277.712411
where:
bonds (distance) C4'-P energy: -51.929
bonds (distance) P-C4' energy: -54.451
flat angles C4'-P-C4' energy: -59.751
flat angles P-C4'-P energy: -33.480
tors. eta vs tors. theta energy: -78.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -902.135848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.135848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.135848 (E_RNA)
where:
Base-Base interactions energy: -619.885
where: short stacking energy: -265.368
Base-Backbone interact. energy: -1.409
local terms energy: -280.841134
where:
bonds (distance) C4'-P energy: -57.440
bonds (distance) P-C4' energy: -48.115
flat angles C4'-P-C4' energy: -62.989
flat angles P-C4'-P energy: -36.337
tors. eta vs tors. theta energy: -75.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -806.722620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.722620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.722620 (E_RNA)
where:
Base-Base interactions energy: -533.673
where: short stacking energy: -213.881
Base-Backbone interact. energy: 0.204
local terms energy: -273.253541
where:
bonds (distance) C4'-P energy: -51.751
bonds (distance) P-C4' energy: -55.333
flat angles C4'-P-C4' energy: -59.830
flat angles P-C4'-P energy: -43.838
tors. eta vs tors. theta energy: -62.502
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: 273
Temperature: 1.150000
Total energy: -790.304229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.304229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.304229 (E_RNA)
where:
Base-Base interactions energy: -536.219
where: short stacking energy: -238.457
Base-Backbone interact. energy: 0.984
local terms energy: -255.068610
where:
bonds (distance) C4'-P energy: -51.531
bonds (distance) P-C4' energy: -49.701
flat angles C4'-P-C4' energy: -57.831
flat angles P-C4'-P energy: -32.992
tors. eta vs tors. theta energy: -63.015
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: 1
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -707.449633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.449633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.449633 (E_RNA)
where:
Base-Base interactions energy: -457.255
where: short stacking energy: -215.508
Base-Backbone interact. energy: 0.777
local terms energy: -250.971768
where:
bonds (distance) C4'-P energy: -53.446
bonds (distance) P-C4' energy: -57.529
flat angles C4'-P-C4' energy: -55.964
flat angles P-C4'-P energy: -35.387
tors. eta vs tors. theta energy: -48.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -553.645507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.645507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.645507 (E_RNA)
where:
Base-Base interactions energy: -361.387
where: short stacking energy: -151.321
Base-Backbone interact. energy: 0.922
local terms energy: -193.180950
where:
bonds (distance) C4'-P energy: -46.842
bonds (distance) P-C4' energy: -41.814
flat angles C4'-P-C4' energy: -51.955
flat angles P-C4'-P energy: -24.488
tors. eta vs tors. theta energy: -28.082
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: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -441.743430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.743430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.743430 (E_RNA)
where:
Base-Base interactions energy: -252.386
where: short stacking energy: -119.230
Base-Backbone interact. energy: -1.265
local terms energy: -188.093112
where:
bonds (distance) C4'-P energy: -45.978
bonds (distance) P-C4' energy: -60.752
flat angles C4'-P-C4' energy: -39.040
flat angles P-C4'-P energy: -30.146
tors. eta vs tors. theta energy: -12.177
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: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -359.670829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.670829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.670829 (E_RNA)
where:
Base-Base interactions energy: -184.609
where: short stacking energy: -105.766
Base-Backbone interact. energy: -2.257
local terms energy: -172.804986
where:
bonds (distance) C4'-P energy: -42.198
bonds (distance) P-C4' energy: -55.480
flat angles C4'-P-C4' energy: -31.009
flat angles P-C4'-P energy: -31.772
tors. eta vs tors. theta energy: -12.346
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: 4
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1036.113183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.113183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.113183 (E_RNA)
where:
Base-Base interactions energy: -723.212
where: short stacking energy: -285.484
Base-Backbone interact. energy: -0.587
local terms energy: -312.314117
where:
bonds (distance) C4'-P energy: -57.308
bonds (distance) P-C4' energy: -58.338
flat angles C4'-P-C4' energy: -64.112
flat angles P-C4'-P energy: -44.264
tors. eta vs tors. theta energy: -88.293
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: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -964.662052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.662052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.662052 (E_RNA)
where:
Base-Base interactions energy: -660.512
where: short stacking energy: -286.946
Base-Backbone interact. energy: -2.194
local terms energy: -301.956148
where:
bonds (distance) C4'-P energy: -62.161
bonds (distance) P-C4' energy: -47.750
flat angles C4'-P-C4' energy: -62.835
flat angles P-C4'-P energy: -39.464
tors. eta vs tors. theta energy: -89.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -957.775283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.775283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.775283 (E_RNA)
where:
Base-Base interactions energy: -668.731
where: short stacking energy: -285.936
Base-Backbone interact. energy: -2.267
local terms energy: -286.777312
where:
bonds (distance) C4'-P energy: -56.165
bonds (distance) P-C4' energy: -47.311
flat angles C4'-P-C4' energy: -62.544
flat angles P-C4'-P energy: -45.946
tors. eta vs tors. theta energy: -74.811
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: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -896.133679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.133679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.133679 (E_RNA)
where:
Base-Base interactions energy: -631.501
where: short stacking energy: -279.222
Base-Backbone interact. energy: -1.403
local terms energy: -263.229978
where:
bonds (distance) C4'-P energy: -51.643
bonds (distance) P-C4' energy: -44.039
flat angles C4'-P-C4' energy: -60.323
flat angles P-C4'-P energy: -34.474
tors. eta vs tors. theta energy: -72.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -813.766100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.766100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.766100 (E_RNA)
where:
Base-Base interactions energy: -552.241
where: short stacking energy: -235.306
Base-Backbone interact. energy: -0.775
local terms energy: -260.750028
where:
bonds (distance) C4'-P energy: -51.767
bonds (distance) P-C4' energy: -51.934
flat angles C4'-P-C4' energy: -50.608
flat angles P-C4'-P energy: -34.215
tors. eta vs tors. theta energy: -72.226
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: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -761.100257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.100257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.100257 (E_RNA)
where:
Base-Base interactions energy: -507.705
where: short stacking energy: -238.967
Base-Backbone interact. energy: -0.882
local terms energy: -252.513052
where:
bonds (distance) C4'-P energy: -39.805
bonds (distance) P-C4' energy: -44.531
flat angles C4'-P-C4' energy: -55.533
flat angles P-C4'-P energy: -47.026
tors. eta vs tors. theta energy: -65.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -689.699841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.699841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.699841 (E_RNA)
where:
Base-Base interactions energy: -456.972
where: short stacking energy: -202.384
Base-Backbone interact. energy: -0.987
local terms energy: -231.741131
where:
bonds (distance) C4'-P energy: -42.082
bonds (distance) P-C4' energy: -51.074
flat angles C4'-P-C4' energy: -55.241
flat angles P-C4'-P energy: -37.218
tors. eta vs tors. theta energy: -46.126
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: 8, replica: 9
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -574.114859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.114859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.114859 (E_RNA)
where:
Base-Base interactions energy: -346.556
where: short stacking energy: -158.889
Base-Backbone interact. energy: -0.903
local terms energy: -226.655790
where:
bonds (distance) C4'-P energy: -45.862
bonds (distance) P-C4' energy: -46.826
flat angles C4'-P-C4' energy: -61.749
flat angles P-C4'-P energy: -42.510
tors. eta vs tors. theta energy: -29.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -455.246560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.246560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.246560 (E_RNA)
where:
Base-Base interactions energy: -275.745
where: short stacking energy: -137.496
Base-Backbone interact. energy: 0.975
local terms energy: -180.476636
where:
bonds (distance) C4'-P energy: -42.034
bonds (distance) P-C4' energy: -49.983
flat angles C4'-P-C4' energy: -43.769
flat angles P-C4'-P energy: -16.261
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: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -351.275260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.275260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.275260 (E_RNA)
where:
Base-Base interactions energy: -182.586
where: short stacking energy: -104.341
Base-Backbone interact. energy: -1.931
local terms energy: -166.758745
where:
bonds (distance) C4'-P energy: -51.385
bonds (distance) P-C4' energy: -44.513
flat angles C4'-P-C4' energy: -46.357
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -14.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1021.764894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.764894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.764894 (E_RNA)
where:
Base-Base interactions energy: -722.845
where: short stacking energy: -303.473
Base-Backbone interact. energy: -1.677
local terms energy: -297.242699
where:
bonds (distance) C4'-P energy: -47.985
bonds (distance) P-C4' energy: -52.229
flat angles C4'-P-C4' energy: -62.732
flat angles P-C4'-P energy: -45.443
tors. eta vs tors. theta energy: -88.855
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: 2, replica: 7
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -965.530281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.530281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.530281 (E_RNA)
where:
Base-Base interactions energy: -666.126
where: short stacking energy: -283.653
Base-Backbone interact. energy: -1.824
local terms energy: -297.580460
where:
bonds (distance) C4'-P energy: -61.584
bonds (distance) P-C4' energy: -50.247
flat angles C4'-P-C4' energy: -61.603
flat angles P-C4'-P energy: -38.634
tors. eta vs tors. theta energy: -85.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -947.717518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.717518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.717518 (E_RNA)
where:
Base-Base interactions energy: -657.413
where: short stacking energy: -283.358
Base-Backbone interact. energy: -1.168
local terms energy: -289.135957
where:
bonds (distance) C4'-P energy: -48.532
bonds (distance) P-C4' energy: -53.874
flat angles C4'-P-C4' energy: -58.525
flat angles P-C4'-P energy: -38.690
tors. eta vs tors. theta energy: -89.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -894.333064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.333064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.333064 (E_RNA)
where:
Base-Base interactions energy: -623.101
where: short stacking energy: -263.262
Base-Backbone interact. energy: -2.121
local terms energy: -269.110370
where:
bonds (distance) C4'-P energy: -44.755
bonds (distance) P-C4' energy: -50.607
flat angles C4'-P-C4' energy: -57.408
flat angles P-C4'-P energy: -40.431
tors. eta vs tors. theta energy: -75.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -832.015253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.015253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.015253 (E_RNA)
where:
Base-Base interactions energy: -563.155
where: short stacking energy: -258.642
Base-Backbone interact. energy: -0.351
local terms energy: -268.509560
where:
bonds (distance) C4'-P energy: -48.753
bonds (distance) P-C4' energy: -47.469
flat angles C4'-P-C4' energy: -58.442
flat angles P-C4'-P energy: -38.347
tors. eta vs tors. theta energy: -75.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -744.543529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.543529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.543529 (E_RNA)
where:
Base-Base interactions energy: -492.102
where: short stacking energy: -214.469
Base-Backbone interact. energy: -1.194
local terms energy: -251.247368
where:
bonds (distance) C4'-P energy: -42.327
bonds (distance) P-C4' energy: -50.675
flat angles C4'-P-C4' energy: -64.770
flat angles P-C4'-P energy: -36.261
tors. eta vs tors. theta energy: -57.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -712.590123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.590123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.590123 (E_RNA)
where:
Base-Base interactions energy: -477.963
where: short stacking energy: -215.400
Base-Backbone interact. energy: -1.409
local terms energy: -233.218169
where:
bonds (distance) C4'-P energy: -40.801
bonds (distance) P-C4' energy: -56.293
flat angles C4'-P-C4' energy: -39.112
flat angles P-C4'-P energy: -39.053
tors. eta vs tors. theta energy: -57.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -546.978684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.978684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.978684 (E_RNA)
where:
Base-Base interactions energy: -342.890
where: short stacking energy: -147.525
Base-Backbone interact. energy: -1.062
local terms energy: -203.026763
where:
bonds (distance) C4'-P energy: -49.995
bonds (distance) P-C4' energy: -40.423
flat angles C4'-P-C4' energy: -50.026
flat angles P-C4'-P energy: -36.897
tors. eta vs tors. theta energy: -25.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -479.759758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.759758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.759758 (E_RNA)
where:
Base-Base interactions energy: -285.205
where: short stacking energy: -133.620
Base-Backbone interact. energy: -0.737
local terms energy: -193.817633
where:
bonds (distance) C4'-P energy: -48.112
bonds (distance) P-C4' energy: -35.110
flat angles C4'-P-C4' energy: -54.600
flat angles P-C4'-P energy: -27.820
tors. eta vs tors. theta energy: -28.176
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: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -354.869111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.869111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.869111 (E_RNA)
where:
Base-Base interactions energy: -172.987
where: short stacking energy: -101.719
Base-Backbone interact. energy: -0.948
local terms energy: -180.933606
where:
bonds (distance) C4'-P energy: -50.949
bonds (distance) P-C4' energy: -46.390
flat angles C4'-P-C4' energy: -50.171
flat angles P-C4'-P energy: -28.653
tors. eta vs tors. theta energy: -4.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1022.552327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.552327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.552327 (E_RNA)
where:
Base-Base interactions energy: -723.645
where: short stacking energy: -299.650
Base-Backbone interact. energy: 1.055
local terms energy: -299.962300
where:
bonds (distance) C4'-P energy: -54.555
bonds (distance) P-C4' energy: -54.927
flat angles C4'-P-C4' energy: -59.942
flat angles P-C4'-P energy: -41.795
tors. eta vs tors. theta energy: -88.744
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: 2, replica: 7
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -957.963361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.963361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.963361 (E_RNA)
where:
Base-Base interactions energy: -672.548
where: short stacking energy: -271.719
Base-Backbone interact. energy: -0.670
local terms energy: -284.746066
where:
bonds (distance) C4'-P energy: -48.822
bonds (distance) P-C4' energy: -52.233
flat angles C4'-P-C4' energy: -63.846
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -78.966
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: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -899.055920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.055920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.055920 (E_RNA)
where:
Base-Base interactions energy: -620.587
where: short stacking energy: -287.869
Base-Backbone interact. energy: 1.083
local terms energy: -279.551453
where:
bonds (distance) C4'-P energy: -53.650
bonds (distance) P-C4' energy: -52.794
flat angles C4'-P-C4' energy: -50.859
flat angles P-C4'-P energy: -45.298
tors. eta vs tors. theta energy: -76.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -951.416375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.416375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.416375 (E_RNA)
where:
Base-Base interactions energy: -660.665
where: short stacking energy: -263.866
Base-Backbone interact. energy: 0.684
local terms energy: -291.435448
where:
bonds (distance) C4'-P energy: -48.840
bonds (distance) P-C4' energy: -52.439
flat angles C4'-P-C4' energy: -57.304
flat angles P-C4'-P energy: -45.105
tors. eta vs tors. theta energy: -87.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -812.820248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.820248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.820248 (E_RNA)
where:
Base-Base interactions energy: -538.658
where: short stacking energy: -254.164
Base-Backbone interact. energy: 1.925
local terms energy: -276.086768
where:
bonds (distance) C4'-P energy: -56.574
bonds (distance) P-C4' energy: -51.563
flat angles C4'-P-C4' energy: -57.685
flat angles P-C4'-P energy: -34.891
tors. eta vs tors. theta energy: -75.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -756.074480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.074480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.074480 (E_RNA)
where:
Base-Base interactions energy: -526.392
where: short stacking energy: -224.229
Base-Backbone interact. energy: -0.039
local terms energy: -229.644083
where:
bonds (distance) C4'-P energy: -36.942
bonds (distance) P-C4' energy: -52.683
flat angles C4'-P-C4' energy: -61.905
flat angles P-C4'-P energy: -19.044
tors. eta vs tors. theta energy: -59.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -723.329213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.329213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.329213 (E_RNA)
where:
Base-Base interactions energy: -481.901
where: short stacking energy: -215.668
Base-Backbone interact. energy: -1.134
local terms energy: -240.294984
where:
bonds (distance) C4'-P energy: -49.676
bonds (distance) P-C4' energy: -50.295
flat angles C4'-P-C4' energy: -48.557
flat angles P-C4'-P energy: -29.783
tors. eta vs tors. theta energy: -61.984
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: 9
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -556.017114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -556.017114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -556.017114 (E_RNA)
where:
Base-Base interactions energy: -368.987
where: short stacking energy: -158.760
Base-Backbone interact. energy: -3.227
local terms energy: -183.803560
where:
bonds (distance) C4'-P energy: -29.198
bonds (distance) P-C4' energy: -41.209
flat angles C4'-P-C4' energy: -52.019
flat angles P-C4'-P energy: -26.094
tors. eta vs tors. theta energy: -35.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -462.115231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.115231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.115231 (E_RNA)
where:
Base-Base interactions energy: -267.337
where: short stacking energy: -130.135
Base-Backbone interact. energy: -1.314
local terms energy: -193.464951
where:
bonds (distance) C4'-P energy: -46.306
bonds (distance) P-C4' energy: -49.153
flat angles C4'-P-C4' energy: -36.136
flat angles P-C4'-P energy: -27.536
tors. eta vs tors. theta energy: -34.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -368.070694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.070694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.070694 (E_RNA)
where:
Base-Base interactions energy: -201.700
where: short stacking energy: -118.967
Base-Backbone interact. energy: 0.486
local terms energy: -166.856062
where:
bonds (distance) C4'-P energy: -37.781
bonds (distance) P-C4' energy: -59.376
flat angles C4'-P-C4' energy: -46.953
flat angles P-C4'-P energy: -19.836
tors. eta vs tors. theta energy: -2.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1027.005356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.005356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.005356 (E_RNA)
where:
Base-Base interactions energy: -717.959
where: short stacking energy: -296.769
Base-Backbone interact. energy: -1.486
local terms energy: -307.560116
where:
bonds (distance) C4'-P energy: -63.225
bonds (distance) P-C4' energy: -49.180
flat angles C4'-P-C4' energy: -67.706
flat angles P-C4'-P energy: -36.062
tors. eta vs tors. theta energy: -91.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -984.005860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.005860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.005860 (E_RNA)
where:
Base-Base interactions energy: -679.825
where: short stacking energy: -282.470
Base-Backbone interact. energy: 0.053
local terms energy: -304.233849
where:
bonds (distance) C4'-P energy: -47.698
bonds (distance) P-C4' energy: -55.092
flat angles C4'-P-C4' energy: -68.230
flat angles P-C4'-P energy: -44.337
tors. eta vs tors. theta energy: -88.876
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: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -917.450639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.450639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.450639 (E_RNA)
where:
Base-Base interactions energy: -628.429
where: short stacking energy: -281.146
Base-Backbone interact. energy: -0.189
local terms energy: -288.832556
where:
bonds (distance) C4'-P energy: -53.678
bonds (distance) P-C4' energy: -52.165
flat angles C4'-P-C4' energy: -57.973
flat angles P-C4'-P energy: -42.031
tors. eta vs tors. theta energy: -82.986
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: 2
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -922.644367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.644367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.644367 (E_RNA)
where:
Base-Base interactions energy: -646.558
where: short stacking energy: -261.283
Base-Backbone interact. energy: 0.292
local terms energy: -276.378716
where:
bonds (distance) C4'-P energy: -45.424
bonds (distance) P-C4' energy: -56.215
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -32.892
tors. eta vs tors. theta energy: -84.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -824.268461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.268461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.268461 (E_RNA)
where:
Base-Base interactions energy: -564.998
where: short stacking energy: -254.806
Base-Backbone interact. energy: -0.085
local terms energy: -259.185612
where:
bonds (distance) C4'-P energy: -50.663
bonds (distance) P-C4' energy: -45.914
flat angles C4'-P-C4' energy: -55.516
flat angles P-C4'-P energy: -34.733
tors. eta vs tors. theta energy: -72.359
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: 277
Temperature: 1.150000
Total energy: -756.194741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.194741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.194741 (E_RNA)
where:
Base-Base interactions energy: -490.949
where: short stacking energy: -236.550
Base-Backbone interact. energy: -1.575
local terms energy: -263.670236
where:
bonds (distance) C4'-P energy: -53.935
bonds (distance) P-C4' energy: -44.776
flat angles C4'-P-C4' energy: -60.912
flat angles P-C4'-P energy: -40.226
tors. eta vs tors. theta energy: -63.821
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: 277
Temperature: 1.200000
Total energy: -743.401501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.401501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.401501 (E_RNA)
where:
Base-Base interactions energy: -508.925
where: short stacking energy: -215.078
Base-Backbone interact. energy: 1.364
local terms energy: -235.841059
where:
bonds (distance) C4'-P energy: -52.423
bonds (distance) P-C4' energy: -42.205
flat angles C4'-P-C4' energy: -51.298
flat angles P-C4'-P energy: -32.600
tors. eta vs tors. theta energy: -57.314
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: 9
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -567.286202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.286202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.286202 (E_RNA)
where:
Base-Base interactions energy: -353.561
where: short stacking energy: -165.155
Base-Backbone interact. energy: 0.087
local terms energy: -213.811389
where:
bonds (distance) C4'-P energy: -41.292
bonds (distance) P-C4' energy: -58.634
flat angles C4'-P-C4' energy: -45.354
flat angles P-C4'-P energy: -37.431
tors. eta vs tors. theta energy: -31.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -479.230498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.230498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.230498 (E_RNA)
where:
Base-Base interactions energy: -282.301
where: short stacking energy: -139.327
Base-Backbone interact. energy: 1.375
local terms energy: -198.305284
where:
bonds (distance) C4'-P energy: -38.347
bonds (distance) P-C4' energy: -50.617
flat angles C4'-P-C4' energy: -51.705
flat angles P-C4'-P energy: -27.522
tors. eta vs tors. theta energy: -30.114
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: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -359.822219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.822219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.822219 (E_RNA)
where:
Base-Base interactions energy: -177.881
where: short stacking energy: -102.576
Base-Backbone interact. energy: 3.302
local terms energy: -185.243645
where:
bonds (distance) C4'-P energy: -39.723
bonds (distance) P-C4' energy: -59.068
flat angles C4'-P-C4' energy: -39.301
flat angles P-C4'-P energy: -28.537
tors. eta vs tors. theta energy: -18.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1031.948712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.948712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.948712 (E_RNA)
where:
Base-Base interactions energy: -724.520
where: short stacking energy: -301.863
Base-Backbone interact. energy: -2.054
local terms energy: -305.374391
where:
bonds (distance) C4'-P energy: -59.929
bonds (distance) P-C4' energy: -50.204
flat angles C4'-P-C4' energy: -67.644
flat angles P-C4'-P energy: -37.031
tors. eta vs tors. theta energy: -90.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -974.095379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.095379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.095379 (E_RNA)
where:
Base-Base interactions energy: -675.194
where: short stacking energy: -259.975
Base-Backbone interact. energy: -1.234
local terms energy: -297.667026
where:
bonds (distance) C4'-P energy: -59.014
bonds (distance) P-C4' energy: -54.968
flat angles C4'-P-C4' energy: -64.996
flat angles P-C4'-P energy: -37.405
tors. eta vs tors. theta energy: -81.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -945.853726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.853726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.853726 (E_RNA)
where:
Base-Base interactions energy: -648.796
where: short stacking energy: -248.028
Base-Backbone interact. energy: -1.517
local terms energy: -295.541462
where:
bonds (distance) C4'-P energy: -51.698
bonds (distance) P-C4' energy: -59.281
flat angles C4'-P-C4' energy: -57.240
flat angles P-C4'-P energy: -39.304
tors. eta vs tors. theta energy: -88.018
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: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -906.435723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.435723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.435723 (E_RNA)
where:
Base-Base interactions energy: -623.965
where: short stacking energy: -270.005
Base-Backbone interact. energy: 0.427
local terms energy: -282.897703
where:
bonds (distance) C4'-P energy: -50.798
bonds (distance) P-C4' energy: -51.603
flat angles C4'-P-C4' energy: -57.038
flat angles P-C4'-P energy: -42.730
tors. eta vs tors. theta energy: -80.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -803.097343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.097343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.097343 (E_RNA)
where:
Base-Base interactions energy: -537.230
where: short stacking energy: -225.495
Base-Backbone interact. energy: -0.411
local terms energy: -265.456268
where:
bonds (distance) C4'-P energy: -55.359
bonds (distance) P-C4' energy: -49.102
flat angles C4'-P-C4' energy: -58.207
flat angles P-C4'-P energy: -33.037
tors. eta vs tors. theta energy: -69.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -748.755950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.755950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.755950 (E_RNA)
where:
Base-Base interactions energy: -490.889
where: short stacking energy: -217.087
Base-Backbone interact. energy: 0.512
local terms energy: -258.379236
where:
bonds (distance) C4'-P energy: -58.686
bonds (distance) P-C4' energy: -56.212
flat angles C4'-P-C4' energy: -53.343
flat angles P-C4'-P energy: -35.574
tors. eta vs tors. theta energy: -54.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -699.767705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.767705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.767705 (E_RNA)
where:
Base-Base interactions energy: -461.457
where: short stacking energy: -188.444
Base-Backbone interact. energy: -0.824
local terms energy: -237.487032
where:
bonds (distance) C4'-P energy: -53.715
bonds (distance) P-C4' energy: -39.573
flat angles C4'-P-C4' energy: -55.254
flat angles P-C4'-P energy: -39.599
tors. eta vs tors. theta energy: -49.346
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: 9
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -571.664124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.664124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.664124 (E_RNA)
where:
Base-Base interactions energy: -344.174
where: short stacking energy: -165.725
Base-Backbone interact. energy: -1.370
local terms energy: -226.120256
where:
bonds (distance) C4'-P energy: -46.619
bonds (distance) P-C4' energy: -56.824
flat angles C4'-P-C4' energy: -55.471
flat angles P-C4'-P energy: -31.580
tors. eta vs tors. theta energy: -35.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -510.642258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.642258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.642258 (E_RNA)
where:
Base-Base interactions energy: -301.220
where: short stacking energy: -158.941
Base-Backbone interact. energy: -0.662
local terms energy: -208.759595
where:
bonds (distance) C4'-P energy: -49.342
bonds (distance) P-C4' energy: -42.675
flat angles C4'-P-C4' energy: -40.314
flat angles P-C4'-P energy: -31.345
tors. eta vs tors. theta energy: -45.083
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: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -332.007906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.007906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.007906 (E_RNA)
where:
Base-Base interactions energy: -164.009
where: short stacking energy: -90.246
Base-Backbone interact. energy: -0.045
local terms energy: -167.953863
where:
bonds (distance) C4'-P energy: -38.873
bonds (distance) P-C4' energy: -51.587
flat angles C4'-P-C4' energy: -42.469
flat angles P-C4'-P energy: -25.776
tors. eta vs tors. theta energy: -9.249
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: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1008.737551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.737551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.737551 (E_RNA)
where:
Base-Base interactions energy: -698.500
where: short stacking energy: -306.771
Base-Backbone interact. energy: -2.243
local terms energy: -307.993950
where:
bonds (distance) C4'-P energy: -56.426
bonds (distance) P-C4' energy: -58.383
flat angles C4'-P-C4' energy: -61.600
flat angles P-C4'-P energy: -48.508
tors. eta vs tors. theta energy: -83.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1005.039873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.039873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.039873 (E_RNA)
where:
Base-Base interactions energy: -693.900
where: short stacking energy: -279.965
Base-Backbone interact. energy: -0.317
local terms energy: -310.822706
where:
bonds (distance) C4'-P energy: -57.238
bonds (distance) P-C4' energy: -59.533
flat angles C4'-P-C4' energy: -62.710
flat angles P-C4'-P energy: -44.176
tors. eta vs tors. theta energy: -87.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -946.959591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.959591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.959591 (E_RNA)
where:
Base-Base interactions energy: -665.612
where: short stacking energy: -289.288
Base-Backbone interact. energy: -2.375
local terms energy: -278.972988
where:
bonds (distance) C4'-P energy: -53.682
bonds (distance) P-C4' energy: -48.333
flat angles C4'-P-C4' energy: -56.467
flat angles P-C4'-P energy: -35.367
tors. eta vs tors. theta energy: -85.124
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: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -850.121550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.121550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.121550 (E_RNA)
where:
Base-Base interactions energy: -581.231
where: short stacking energy: -253.398
Base-Backbone interact. energy: -0.333
local terms energy: -268.558145
where:
bonds (distance) C4'-P energy: -49.586
bonds (distance) P-C4' energy: -54.327
flat angles C4'-P-C4' energy: -55.153
flat angles P-C4'-P energy: -39.992
tors. eta vs tors. theta energy: -69.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -873.724189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.724189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.724189 (E_RNA)
where:
Base-Base interactions energy: -608.024
where: short stacking energy: -274.407
Base-Backbone interact. energy: -1.340
local terms energy: -264.360731
where:
bonds (distance) C4'-P energy: -43.912
bonds (distance) P-C4' energy: -38.051
flat angles C4'-P-C4' energy: -59.678
flat angles P-C4'-P energy: -44.536
tors. eta vs tors. theta energy: -78.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -726.735529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.735529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.735529 (E_RNA)
where:
Base-Base interactions energy: -472.900
where: short stacking energy: -214.761
Base-Backbone interact. energy: 0.618
local terms energy: -254.453637
where:
bonds (distance) C4'-P energy: -47.671
bonds (distance) P-C4' energy: -51.158
flat angles C4'-P-C4' energy: -62.776
flat angles P-C4'-P energy: -36.391
tors. eta vs tors. theta energy: -56.457
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: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -705.221893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.221893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.221893 (E_RNA)
where:
Base-Base interactions energy: -459.094
where: short stacking energy: -197.805
Base-Backbone interact. energy: -1.290
local terms energy: -244.838071
where:
bonds (distance) C4'-P energy: -48.439
bonds (distance) P-C4' energy: -54.777
flat angles C4'-P-C4' energy: -56.406
flat angles P-C4'-P energy: -36.748
tors. eta vs tors. theta energy: -48.468
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: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -541.923481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -541.923481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -541.923481 (E_RNA)
where:
Base-Base interactions energy: -331.207
where: short stacking energy: -143.483
Base-Backbone interact. energy: -1.562
local terms energy: -209.154270
where:
bonds (distance) C4'-P energy: -45.315
bonds (distance) P-C4' energy: -52.000
flat angles C4'-P-C4' energy: -56.319
flat angles P-C4'-P energy: -34.426
tors. eta vs tors. theta energy: -21.094
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: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -476.529080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.529080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.529080 (E_RNA)
where:
Base-Base interactions energy: -275.487
where: short stacking energy: -143.411
Base-Backbone interact. energy: -0.281
local terms energy: -200.760790
where:
bonds (distance) C4'-P energy: -49.365
bonds (distance) P-C4' energy: -54.107
flat angles C4'-P-C4' energy: -50.633
flat angles P-C4'-P energy: -19.963
tors. eta vs tors. theta energy: -26.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -315.442617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.442617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.442617 (E_RNA)
where:
Base-Base interactions energy: -162.128
where: short stacking energy: -94.806
Base-Backbone interact. energy: 0.766
local terms energy: -154.080542
where:
bonds (distance) C4'-P energy: -38.219
bonds (distance) P-C4' energy: -44.039
flat angles C4'-P-C4' energy: -37.702
flat angles P-C4'-P energy: -24.777
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -1022.393930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.393930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.393930 (E_RNA)
where:
Base-Base interactions energy: -714.342
where: short stacking energy: -274.017
Base-Backbone interact. energy: -1.102
local terms energy: -306.949672
where:
bonds (distance) C4'-P energy: -58.809
bonds (distance) P-C4' energy: -61.837
flat angles C4'-P-C4' energy: -67.749
flat angles P-C4'-P energy: -32.876
tors. eta vs tors. theta energy: -85.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -1013.512790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.512790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.512790 (E_RNA)
where:
Base-Base interactions energy: -701.215
where: short stacking energy: -292.986
Base-Backbone interact. energy: -3.629
local terms energy: -308.669574
where:
bonds (distance) C4'-P energy: -52.134
bonds (distance) P-C4' energy: -59.165
flat angles C4'-P-C4' energy: -61.436
flat angles P-C4'-P energy: -44.905
tors. eta vs tors. theta energy: -91.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -938.818041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.818041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.818041 (E_RNA)
where:
Base-Base interactions energy: -632.365
where: short stacking energy: -285.141
Base-Backbone interact. energy: -1.202
local terms energy: -305.250622
where:
bonds (distance) C4'-P energy: -56.098
bonds (distance) P-C4' energy: -53.653
flat angles C4'-P-C4' energy: -59.757
flat angles P-C4'-P energy: -45.768
tors. eta vs tors. theta energy: -89.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -827.489562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.489562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.489562 (E_RNA)
where:
Base-Base interactions energy: -549.797
where: short stacking energy: -234.422
Base-Backbone interact. energy: -0.042
local terms energy: -277.651182
where:
bonds (distance) C4'-P energy: -53.164
bonds (distance) P-C4' energy: -59.815
flat angles C4'-P-C4' energy: -55.919
flat angles P-C4'-P energy: -41.593
tors. eta vs tors. theta energy: -67.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -875.237642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.237642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.237642 (E_RNA)
where:
Base-Base interactions energy: -607.022
where: short stacking energy: -256.548
Base-Backbone interact. energy: -1.772
local terms energy: -266.444093
where:
bonds (distance) C4'-P energy: -49.678
bonds (distance) P-C4' energy: -49.649
flat angles C4'-P-C4' energy: -46.564
flat angles P-C4'-P energy: -44.378
tors. eta vs tors. theta energy: -76.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -738.097316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.097316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.097316 (E_RNA)
where:
Base-Base interactions energy: -487.634
where: short stacking energy: -210.496
Base-Backbone interact. energy: -0.873
local terms energy: -249.590911
where:
bonds (distance) C4'-P energy: -44.109
bonds (distance) P-C4' energy: -53.316
flat angles C4'-P-C4' energy: -55.629
flat angles P-C4'-P energy: -39.481
tors. eta vs tors. theta energy: -57.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -729.032401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.032401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.032401 (E_RNA)
where:
Base-Base interactions energy: -509.339
where: short stacking energy: -220.558
Base-Backbone interact. energy: -0.200
local terms energy: -219.493005
where:
bonds (distance) C4'-P energy: -36.902
bonds (distance) P-C4' energy: -45.385
flat angles C4'-P-C4' energy: -49.323
flat angles P-C4'-P energy: -34.493
tors. eta vs tors. theta energy: -53.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -533.835822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.835822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.835822 (E_RNA)
where:
Base-Base interactions energy: -334.810
where: short stacking energy: -163.796
Base-Backbone interact. energy: 6.433
local terms energy: -205.459104
where:
bonds (distance) C4'-P energy: -42.901
bonds (distance) P-C4' energy: -50.651
flat angles C4'-P-C4' energy: -54.564
flat angles P-C4'-P energy: -30.296
tors. eta vs tors. theta energy: -27.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -476.939054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.939054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.939054 (E_RNA)
where:
Base-Base interactions energy: -284.417
where: short stacking energy: -136.663
Base-Backbone interact. energy: -0.062
local terms energy: -192.459972
where:
bonds (distance) C4'-P energy: -29.521
bonds (distance) P-C4' energy: -45.930
flat angles C4'-P-C4' energy: -56.708
flat angles P-C4'-P energy: -32.254
tors. eta vs tors. theta energy: -28.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -307.958846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -307.958846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -307.958846 (E_RNA)
where:
Base-Base interactions energy: -168.271
where: short stacking energy: -80.658
Base-Backbone interact. energy: 0.629
local terms energy: -140.316654
where:
bonds (distance) C4'-P energy: -44.160
bonds (distance) P-C4' energy: -47.083
flat angles C4'-P-C4' energy: -41.471
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: 3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1020.431347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.431347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.431347 (E_RNA)
where:
Base-Base interactions energy: -704.635
where: short stacking energy: -277.864
Base-Backbone interact. energy: -1.335
local terms energy: -314.462162
where:
bonds (distance) C4'-P energy: -57.856
bonds (distance) P-C4' energy: -63.841
flat angles C4'-P-C4' energy: -59.831
flat angles P-C4'-P energy: -47.221
tors. eta vs tors. theta energy: -85.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1012.301891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.301891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.301891 (E_RNA)
where:
Base-Base interactions energy: -708.068
where: short stacking energy: -299.661
Base-Backbone interact. energy: -1.358
local terms energy: -302.875992
where:
bonds (distance) C4'-P energy: -48.663
bonds (distance) P-C4' energy: -55.843
flat angles C4'-P-C4' energy: -67.248
flat angles P-C4'-P energy: -40.272
tors. eta vs tors. theta energy: -90.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -948.463781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.463781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.463781 (E_RNA)
where:
Base-Base interactions energy: -657.054
where: short stacking energy: -281.972
Base-Backbone interact. energy: -1.288
local terms energy: -290.121468
where:
bonds (distance) C4'-P energy: -58.414
bonds (distance) P-C4' energy: -46.522
flat angles C4'-P-C4' energy: -60.191
flat angles P-C4'-P energy: -43.459
tors. eta vs tors. theta energy: -81.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -896.768765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.768765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.768765 (E_RNA)
where:
Base-Base interactions energy: -627.662
where: short stacking energy: -262.951
Base-Backbone interact. energy: -1.562
local terms energy: -267.545263
where:
bonds (distance) C4'-P energy: -44.790
bonds (distance) P-C4' energy: -63.228
flat angles C4'-P-C4' energy: -52.754
flat angles P-C4'-P energy: -36.488
tors. eta vs tors. theta energy: -70.285
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: 5
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -823.682709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.682709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.682709 (E_RNA)
where:
Base-Base interactions energy: -559.619
where: short stacking energy: -248.169
Base-Backbone interact. energy: -1.534
local terms energy: -262.529937
where:
bonds (distance) C4'-P energy: -47.591
bonds (distance) P-C4' energy: -52.880
flat angles C4'-P-C4' energy: -51.726
flat angles P-C4'-P energy: -43.789
tors. eta vs tors. theta energy: -66.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -777.358064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.358064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.358064 (E_RNA)
where:
Base-Base interactions energy: -504.201
where: short stacking energy: -223.465
Base-Backbone interact. energy: 1.368
local terms energy: -274.525157
where:
bonds (distance) C4'-P energy: -46.636
bonds (distance) P-C4' energy: -65.641
flat angles C4'-P-C4' energy: -61.568
flat angles P-C4'-P energy: -37.865
tors. eta vs tors. theta energy: -62.815
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: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -702.014308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.014308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.014308 (E_RNA)
where:
Base-Base interactions energy: -474.040
where: short stacking energy: -195.365
Base-Backbone interact. energy: -0.077
local terms energy: -227.897062
where:
bonds (distance) C4'-P energy: -41.317
bonds (distance) P-C4' energy: -47.818
flat angles C4'-P-C4' energy: -54.431
flat angles P-C4'-P energy: -32.869
tors. eta vs tors. theta energy: -51.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -513.404303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -513.404303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -513.404303 (E_RNA)
where:
Base-Base interactions energy: -301.992
where: short stacking energy: -148.218
Base-Backbone interact. energy: -0.619
local terms energy: -210.793220
where:
bonds (distance) C4'-P energy: -41.705
bonds (distance) P-C4' energy: -46.201
flat angles C4'-P-C4' energy: -54.442
flat angles P-C4'-P energy: -41.300
tors. eta vs tors. theta energy: -27.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -509.529257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.529257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.529257 (E_RNA)
where:
Base-Base interactions energy: -304.567
where: short stacking energy: -134.859
Base-Backbone interact. energy: -1.558
local terms energy: -203.404669
where:
bonds (distance) C4'-P energy: -47.090
bonds (distance) P-C4' energy: -44.528
flat angles C4'-P-C4' energy: -44.502
flat angles P-C4'-P energy: -35.933
tors. eta vs tors. theta energy: -31.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -301.944292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.944292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.944292 (E_RNA)
where:
Base-Base interactions energy: -143.889
where: short stacking energy: -66.588
Base-Backbone interact. energy: -2.470
local terms energy: -155.584876
where:
bonds (distance) C4'-P energy: -37.109
bonds (distance) P-C4' energy: -51.239
flat angles C4'-P-C4' energy: -47.525
flat angles P-C4'-P energy: -26.896
tors. eta vs tors. theta energy: 7.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1023.311405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.311405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.311405 (E_RNA)
where:
Base-Base interactions energy: -717.324
where: short stacking energy: -299.746
Base-Backbone interact. energy: -0.767
local terms energy: -305.220621
where:
bonds (distance) C4'-P energy: -49.642
bonds (distance) P-C4' energy: -63.137
flat angles C4'-P-C4' energy: -65.092
flat angles P-C4'-P energy: -39.437
tors. eta vs tors. theta energy: -87.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1013.757746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.757746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.757746 (E_RNA)
where:
Base-Base interactions energy: -701.114
where: short stacking energy: -288.644
Base-Backbone interact. energy: -1.607
local terms energy: -311.036289
where:
bonds (distance) C4'-P energy: -52.897
bonds (distance) P-C4' energy: -55.876
flat angles C4'-P-C4' energy: -66.140
flat angles P-C4'-P energy: -40.597
tors. eta vs tors. theta energy: -95.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -930.374244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.374244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.374244 (E_RNA)
where:
Base-Base interactions energy: -635.424
where: short stacking energy: -269.929
Base-Backbone interact. energy: -1.369
local terms energy: -293.581399
where:
bonds (distance) C4'-P energy: -50.919
bonds (distance) P-C4' energy: -52.566
flat angles C4'-P-C4' energy: -64.722
flat angles P-C4'-P energy: -47.727
tors. eta vs tors. theta energy: -77.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -877.819949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.819949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.819949 (E_RNA)
where:
Base-Base interactions energy: -605.705
where: short stacking energy: -259.758
Base-Backbone interact. energy: -0.691
local terms energy: -271.423829
where:
bonds (distance) C4'-P energy: -53.480
bonds (distance) P-C4' energy: -53.114
flat angles C4'-P-C4' energy: -58.747
flat angles P-C4'-P energy: -28.575
tors. eta vs tors. theta energy: -77.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -774.015685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.015685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.015685 (E_RNA)
where:
Base-Base interactions energy: -521.965
where: short stacking energy: -230.248
Base-Backbone interact. energy: -0.805
local terms energy: -251.245573
where:
bonds (distance) C4'-P energy: -48.024
bonds (distance) P-C4' energy: -55.609
flat angles C4'-P-C4' energy: -52.165
flat angles P-C4'-P energy: -35.693
tors. eta vs tors. theta energy: -59.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -814.409394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.409394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.409394 (E_RNA)
where:
Base-Base interactions energy: -562.297
where: short stacking energy: -247.007
Base-Backbone interact. energy: -1.073
local terms energy: -251.038518
where:
bonds (distance) C4'-P energy: -54.137
bonds (distance) P-C4' energy: -41.631
flat angles C4'-P-C4' energy: -55.863
flat angles P-C4'-P energy: -34.105
tors. eta vs tors. theta energy: -65.303
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: 282
Temperature: 1.200000
Total energy: -710.376559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.376559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.376559 (E_RNA)
where:
Base-Base interactions energy: -481.217
where: short stacking energy: -190.834
Base-Backbone interact. energy: -1.584
local terms energy: -227.575423
where:
bonds (distance) C4'-P energy: -55.644
bonds (distance) P-C4' energy: -46.087
flat angles C4'-P-C4' energy: -53.061
flat angles P-C4'-P energy: -25.599
tors. eta vs tors. theta energy: -47.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -507.532205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.532205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.532205 (E_RNA)
where:
Base-Base interactions energy: -303.006
where: short stacking energy: -146.537
Base-Backbone interact. energy: -1.702
local terms energy: -202.824211
where:
bonds (distance) C4'-P energy: -50.772
bonds (distance) P-C4' energy: -59.415
flat angles C4'-P-C4' energy: -47.561
flat angles P-C4'-P energy: -27.865
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -514.904154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -514.904154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -514.904154 (E_RNA)
where:
Base-Base interactions energy: -331.421
where: short stacking energy: -154.515
Base-Backbone interact. energy: -0.884
local terms energy: -182.598548
where:
bonds (distance) C4'-P energy: -45.350
bonds (distance) P-C4' energy: -42.870
flat angles C4'-P-C4' energy: -47.083
flat angles P-C4'-P energy: -25.869
tors. eta vs tors. theta energy: -21.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -263.111803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.111803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.111803 (E_RNA)
where:
Base-Base interactions energy: -112.481
where: short stacking energy: -86.442
Base-Backbone interact. energy: -0.830
local terms energy: -149.800268
where:
bonds (distance) C4'-P energy: -47.473
bonds (distance) P-C4' energy: -42.642
flat angles C4'-P-C4' energy: -45.004
flat angles P-C4'-P energy: -16.272
tors. eta vs tors. theta energy: 1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1014.405689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.405689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.405689 (E_RNA)
where:
Base-Base interactions energy: -711.368
where: short stacking energy: -294.053
Base-Backbone interact. energy: -0.519
local terms energy: -302.518996
where:
bonds (distance) C4'-P energy: -57.431
bonds (distance) P-C4' energy: -50.222
flat angles C4'-P-C4' energy: -62.348
flat angles P-C4'-P energy: -42.081
tors. eta vs tors. theta energy: -90.438
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: 4
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1007.646385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.646385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.646385 (E_RNA)
where:
Base-Base interactions energy: -712.774
where: short stacking energy: -297.914
Base-Backbone interact. energy: -1.320
local terms energy: -293.551756
where:
bonds (distance) C4'-P energy: -52.862
bonds (distance) P-C4' energy: -48.006
flat angles C4'-P-C4' energy: -58.714
flat angles P-C4'-P energy: -41.311
tors. eta vs tors. theta energy: -92.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -917.214862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.214862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.214862 (E_RNA)
where:
Base-Base interactions energy: -616.660
where: short stacking energy: -270.298
Base-Backbone interact. energy: -2.571
local terms energy: -297.984145
where:
bonds (distance) C4'-P energy: -50.954
bonds (distance) P-C4' energy: -49.390
flat angles C4'-P-C4' energy: -57.305
flat angles P-C4'-P energy: -48.152
tors. eta vs tors. theta energy: -92.183
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: 283
Temperature: 1.050000
Total energy: -912.316872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.316872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.316872 (E_RNA)
where:
Base-Base interactions energy: -636.616
where: short stacking energy: -267.533
Base-Backbone interact. energy: -0.168
local terms energy: -275.532717
where:
bonds (distance) C4'-P energy: -50.471
bonds (distance) P-C4' energy: -47.091
flat angles C4'-P-C4' energy: -61.245
flat angles P-C4'-P energy: -36.425
tors. eta vs tors. theta energy: -80.301
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: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -762.389255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.389255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.389255 (E_RNA)
where:
Base-Base interactions energy: -504.502
where: short stacking energy: -225.146
Base-Backbone interact. energy: -1.427
local terms energy: -256.460416
where:
bonds (distance) C4'-P energy: -50.615
bonds (distance) P-C4' energy: -53.681
flat angles C4'-P-C4' energy: -50.668
flat angles P-C4'-P energy: -44.808
tors. eta vs tors. theta energy: -56.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -823.543687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.543687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.543687 (E_RNA)
where:
Base-Base interactions energy: -556.737
where: short stacking energy: -238.981
Base-Backbone interact. energy: -1.152
local terms energy: -265.654998
where:
bonds (distance) C4'-P energy: -50.976
bonds (distance) P-C4' energy: -57.053
flat angles C4'-P-C4' energy: -56.837
flat angles P-C4'-P energy: -33.019
tors. eta vs tors. theta energy: -67.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -696.692786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.692786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.692786 (E_RNA)
where:
Base-Base interactions energy: -435.112
where: short stacking energy: -189.873
Base-Backbone interact. energy: -0.333
local terms energy: -261.248357
where:
bonds (distance) C4'-P energy: -51.074
bonds (distance) P-C4' energy: -59.472
flat angles C4'-P-C4' energy: -61.880
flat angles P-C4'-P energy: -40.431
tors. eta vs tors. theta energy: -48.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -576.951962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.951962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.951962 (E_RNA)
where:
Base-Base interactions energy: -367.846
where: short stacking energy: -191.044
Base-Backbone interact. energy: 0.208
local terms energy: -209.313736
where:
bonds (distance) C4'-P energy: -42.059
bonds (distance) P-C4' energy: -53.694
flat angles C4'-P-C4' energy: -39.953
flat angles P-C4'-P energy: -21.158
tors. eta vs tors. theta energy: -52.449
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: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -502.860960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.860960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.860960 (E_RNA)
where:
Base-Base interactions energy: -300.402
where: short stacking energy: -145.571
Base-Backbone interact. energy: -1.577
local terms energy: -200.881786
where:
bonds (distance) C4'-P energy: -46.847
bonds (distance) P-C4' energy: -45.047
flat angles C4'-P-C4' energy: -57.900
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -36.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -249.115354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.115354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.115354 (E_RNA)
where:
Base-Base interactions energy: -104.807
where: short stacking energy: -70.232
Base-Backbone interact. energy: -2.260
local terms energy: -142.048201
where:
bonds (distance) C4'-P energy: -51.714
bonds (distance) P-C4' energy: -45.238
flat angles C4'-P-C4' energy: -29.045
flat angles P-C4'-P energy: -22.874
tors. eta vs tors. theta energy: 6.823
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: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1024.437035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.437035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.437035 (E_RNA)
where:
Base-Base interactions energy: -701.969
where: short stacking energy: -282.111
Base-Backbone interact. energy: -1.122
local terms energy: -321.345498
where:
bonds (distance) C4'-P energy: -61.171
bonds (distance) P-C4' energy: -64.024
flat angles C4'-P-C4' energy: -68.043
flat angles P-C4'-P energy: -39.112
tors. eta vs tors. theta energy: -88.995
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: 4
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -990.950702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.950702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.950702 (E_RNA)
where:
Base-Base interactions energy: -697.729
where: short stacking energy: -282.188
Base-Backbone interact. energy: 1.124
local terms energy: -294.345243
where:
bonds (distance) C4'-P energy: -52.121
bonds (distance) P-C4' energy: -47.025
flat angles C4'-P-C4' energy: -61.429
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -87.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -925.639434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.639434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.639434 (E_RNA)
where:
Base-Base interactions energy: -638.932
where: short stacking energy: -286.776
Base-Backbone interact. energy: -0.976
local terms energy: -285.731509
where:
bonds (distance) C4'-P energy: -56.060
bonds (distance) P-C4' energy: -47.430
flat angles C4'-P-C4' energy: -63.807
flat angles P-C4'-P energy: -34.926
tors. eta vs tors. theta energy: -83.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -898.803275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.803275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.803275 (E_RNA)
where:
Base-Base interactions energy: -628.510
where: short stacking energy: -272.416
Base-Backbone interact. energy: -0.861
local terms energy: -269.432828
where:
bonds (distance) C4'-P energy: -36.817
bonds (distance) P-C4' energy: -45.981
flat angles C4'-P-C4' energy: -65.953
flat angles P-C4'-P energy: -36.632
tors. eta vs tors. theta energy: -84.051
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: 284
Temperature: 1.100000
Total energy: -838.840449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.840449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.840449 (E_RNA)
where:
Base-Base interactions energy: -572.735
where: short stacking energy: -234.202
Base-Backbone interact. energy: -0.820
local terms energy: -265.286076
where:
bonds (distance) C4'-P energy: -49.128
bonds (distance) P-C4' energy: -52.247
flat angles C4'-P-C4' energy: -58.291
flat angles P-C4'-P energy: -39.478
tors. eta vs tors. theta energy: -66.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -739.837391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.837391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.837391 (E_RNA)
where:
Base-Base interactions energy: -498.912
where: short stacking energy: -212.154
Base-Backbone interact. energy: -0.771
local terms energy: -240.154560
where:
bonds (distance) C4'-P energy: -45.872
bonds (distance) P-C4' energy: -57.176
flat angles C4'-P-C4' energy: -48.802
flat angles P-C4'-P energy: -37.615
tors. eta vs tors. theta energy: -50.690
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: 10
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -695.430964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.430964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.430964 (E_RNA)
where:
Base-Base interactions energy: -482.644
where: short stacking energy: -198.198
Base-Backbone interact. energy: -0.554
local terms energy: -212.232339
where:
bonds (distance) C4'-P energy: -48.292
bonds (distance) P-C4' energy: -47.348
flat angles C4'-P-C4' energy: -49.529
flat angles P-C4'-P energy: -21.101
tors. eta vs tors. theta energy: -45.962
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: 9
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -544.098940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.098940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.098940 (E_RNA)
where:
Base-Base interactions energy: -352.602
where: short stacking energy: -172.040
Base-Backbone interact. energy: 2.251
local terms energy: -193.747437
where:
bonds (distance) C4'-P energy: -40.837
bonds (distance) P-C4' energy: -44.673
flat angles C4'-P-C4' energy: -49.722
flat angles P-C4'-P energy: -29.250
tors. eta vs tors. theta energy: -29.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -516.523369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -516.523369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -516.523369 (E_RNA)
where:
Base-Base interactions energy: -326.516
where: short stacking energy: -164.416
Base-Backbone interact. energy: -0.747
local terms energy: -189.259779
where:
bonds (distance) C4'-P energy: -48.673
bonds (distance) P-C4' energy: -37.133
flat angles C4'-P-C4' energy: -39.571
flat angles P-C4'-P energy: -27.282
tors. eta vs tors. theta energy: -36.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -267.452399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.452399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.452399 (E_RNA)
where:
Base-Base interactions energy: -100.839
where: short stacking energy: -87.874
Base-Backbone interact. energy: 1.068
local terms energy: -167.681526
where:
bonds (distance) C4'-P energy: -38.979
bonds (distance) P-C4' energy: -55.160
flat angles C4'-P-C4' energy: -29.439
flat angles P-C4'-P energy: -33.096
tors. eta vs tors. theta energy: -11.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1003.682910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.682910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.682910 (E_RNA)
where:
Base-Base interactions energy: -697.910
where: short stacking energy: -290.712
Base-Backbone interact. energy: -0.452
local terms energy: -305.320884
where:
bonds (distance) C4'-P energy: -54.064
bonds (distance) P-C4' energy: -57.801
flat angles C4'-P-C4' energy: -66.370
flat angles P-C4'-P energy: -40.700
tors. eta vs tors. theta energy: -86.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -992.844725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.844725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.844725 (E_RNA)
where:
Base-Base interactions energy: -695.121
where: short stacking energy: -291.428
Base-Backbone interact. energy: 0.096
local terms energy: -297.819570
where:
bonds (distance) C4'-P energy: -53.108
bonds (distance) P-C4' energy: -48.950
flat angles C4'-P-C4' energy: -68.392
flat angles P-C4'-P energy: -41.029
tors. eta vs tors. theta energy: -86.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -906.793340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.793340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.793340 (E_RNA)
where:
Base-Base interactions energy: -630.632
where: short stacking energy: -280.647
Base-Backbone interact. energy: -0.757
local terms energy: -275.404228
where:
bonds (distance) C4'-P energy: -54.759
bonds (distance) P-C4' energy: -52.857
flat angles C4'-P-C4' energy: -54.895
flat angles P-C4'-P energy: -37.989
tors. eta vs tors. theta energy: -74.904
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: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -906.855900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.855900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.855900 (E_RNA)
where:
Base-Base interactions energy: -627.247
where: short stacking energy: -257.788
Base-Backbone interact. energy: 0.852
local terms energy: -280.461329
where:
bonds (distance) C4'-P energy: -54.909
bonds (distance) P-C4' energy: -48.639
flat angles C4'-P-C4' energy: -60.609
flat angles P-C4'-P energy: -36.413
tors. eta vs tors. theta energy: -79.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -849.026375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.026375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.026375 (E_RNA)
where:
Base-Base interactions energy: -574.569
where: short stacking energy: -241.860
Base-Backbone interact. energy: -3.260
local terms energy: -271.197872
where:
bonds (distance) C4'-P energy: -45.774
bonds (distance) P-C4' energy: -56.367
flat angles C4'-P-C4' energy: -55.236
flat angles P-C4'-P energy: -39.550
tors. eta vs tors. theta energy: -74.272
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: 285
Temperature: 1.150000
Total energy: -785.936510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.936510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.936510 (E_RNA)
where:
Base-Base interactions energy: -531.877
where: short stacking energy: -229.748
Base-Backbone interact. energy: -2.647
local terms energy: -251.411631
where:
bonds (distance) C4'-P energy: -47.028
bonds (distance) P-C4' energy: -50.956
flat angles C4'-P-C4' energy: -49.759
flat angles P-C4'-P energy: -37.588
tors. eta vs tors. theta energy: -66.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -689.420885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -689.420885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -689.420885 (E_RNA)
where:
Base-Base interactions energy: -473.439
where: short stacking energy: -217.433
Base-Backbone interact. energy: -0.541
local terms energy: -215.441646
where:
bonds (distance) C4'-P energy: -40.767
bonds (distance) P-C4' energy: -46.810
flat angles C4'-P-C4' energy: -55.797
flat angles P-C4'-P energy: -20.362
tors. eta vs tors. theta energy: -51.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -588.339584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.339584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.339584 (E_RNA)
where:
Base-Base interactions energy: -374.110
where: short stacking energy: -168.504
Base-Backbone interact. energy: -2.809
local terms energy: -211.420956
where:
bonds (distance) C4'-P energy: -50.063
bonds (distance) P-C4' energy: -53.373
flat angles C4'-P-C4' energy: -45.400
flat angles P-C4'-P energy: -29.995
tors. eta vs tors. theta energy: -32.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -501.727466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.727466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.727466 (E_RNA)
where:
Base-Base interactions energy: -309.511
where: short stacking energy: -167.497
Base-Backbone interact. energy: 0.743
local terms energy: -192.959155
where:
bonds (distance) C4'-P energy: -46.803
bonds (distance) P-C4' energy: -44.101
flat angles C4'-P-C4' energy: -47.017
flat angles P-C4'-P energy: -22.709
tors. eta vs tors. theta energy: -32.328
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: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -253.463828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.463828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.463828 (E_RNA)
where:
Base-Base interactions energy: -110.770
where: short stacking energy: -76.315
Base-Backbone interact. energy: 1.547
local terms energy: -144.240366
where:
bonds (distance) C4'-P energy: -43.643
bonds (distance) P-C4' energy: -56.159
flat angles C4'-P-C4' energy: -30.413
flat angles P-C4'-P energy: -24.848
tors. eta vs tors. theta energy: 10.824
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: 4
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1027.730651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.730651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.730651 (E_RNA)
where:
Base-Base interactions energy: -723.131
where: short stacking energy: -292.580
Base-Backbone interact. energy: -1.484
local terms energy: -303.116128
where:
bonds (distance) C4'-P energy: -54.074
bonds (distance) P-C4' energy: -50.871
flat angles C4'-P-C4' energy: -64.857
flat angles P-C4'-P energy: -42.090
tors. eta vs tors. theta energy: -91.225
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: 286
Temperature: 0.950000
Total energy: -971.953380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.953380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.953380 (E_RNA)
where:
Base-Base interactions energy: -679.438
where: short stacking energy: -272.212
Base-Backbone interact. energy: -0.920
local terms energy: -291.595662
where:
bonds (distance) C4'-P energy: -50.303
bonds (distance) P-C4' energy: -50.474
flat angles C4'-P-C4' energy: -66.959
flat angles P-C4'-P energy: -40.269
tors. eta vs tors. theta energy: -83.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -906.767672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.767672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.767672 (E_RNA)
where:
Base-Base interactions energy: -619.978
where: short stacking energy: -281.589
Base-Backbone interact. energy: -0.278
local terms energy: -286.511610
where:
bonds (distance) C4'-P energy: -47.251
bonds (distance) P-C4' energy: -59.707
flat angles C4'-P-C4' energy: -59.057
flat angles P-C4'-P energy: -40.997
tors. eta vs tors. theta energy: -79.500
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: 4, replica: 2
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -904.011673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.011673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.011673 (E_RNA)
where:
Base-Base interactions energy: -616.423
where: short stacking energy: -266.885
Base-Backbone interact. energy: 0.376
local terms energy: -287.965080
where:
bonds (distance) C4'-P energy: -49.808
bonds (distance) P-C4' energy: -63.448
flat angles C4'-P-C4' energy: -54.284
flat angles P-C4'-P energy: -37.220
tors. eta vs tors. theta energy: -83.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -829.642883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.642883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.642883 (E_RNA)
where:
Base-Base interactions energy: -566.898
where: short stacking energy: -232.657
Base-Backbone interact. energy: -1.253
local terms energy: -261.492315
where:
bonds (distance) C4'-P energy: -47.762
bonds (distance) P-C4' energy: -43.896
flat angles C4'-P-C4' energy: -59.589
flat angles P-C4'-P energy: -34.331
tors. eta vs tors. theta energy: -75.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -792.870423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.870423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.870423 (E_RNA)
where:
Base-Base interactions energy: -543.642
where: short stacking energy: -230.896
Base-Backbone interact. energy: -0.266
local terms energy: -248.962088
where:
bonds (distance) C4'-P energy: -52.301
bonds (distance) P-C4' energy: -39.780
flat angles C4'-P-C4' energy: -60.608
flat angles P-C4'-P energy: -29.685
tors. eta vs tors. theta energy: -66.588
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: 10
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -688.656616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.656616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.656616 (E_RNA)
where:
Base-Base interactions energy: -444.080
where: short stacking energy: -208.777
Base-Backbone interact. energy: -1.518
local terms energy: -243.058491
where:
bonds (distance) C4'-P energy: -39.358
bonds (distance) P-C4' energy: -47.156
flat angles C4'-P-C4' energy: -62.902
flat angles P-C4'-P energy: -38.003
tors. eta vs tors. theta energy: -55.639
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: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -550.928928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.928928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.928928 (E_RNA)
where:
Base-Base interactions energy: -362.520
where: short stacking energy: -168.222
Base-Backbone interact. energy: 0.031
local terms energy: -188.440401
where:
bonds (distance) C4'-P energy: -44.725
bonds (distance) P-C4' energy: -45.906
flat angles C4'-P-C4' energy: -40.544
flat angles P-C4'-P energy: -33.938
tors. eta vs tors. theta energy: -23.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -512.307752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -512.307752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -512.307752 (E_RNA)
where:
Base-Base interactions energy: -316.325
where: short stacking energy: -148.348
Base-Backbone interact. energy: 0.523
local terms energy: -196.505445
where:
bonds (distance) C4'-P energy: -39.776
bonds (distance) P-C4' energy: -50.219
flat angles C4'-P-C4' energy: -50.761
flat angles P-C4'-P energy: -27.122
tors. eta vs tors. theta energy: -28.627
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: 286
Temperature: 1.350000
Total energy: -262.328750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.328750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.328750 (E_RNA)
where:
Base-Base interactions energy: -117.244
where: short stacking energy: -70.549
Base-Backbone interact. energy: 0.653
local terms energy: -145.737545
where:
bonds (distance) C4'-P energy: -46.265
bonds (distance) P-C4' energy: -44.607
flat angles C4'-P-C4' energy: -45.509
flat angles P-C4'-P energy: -26.332
tors. eta vs tors. theta energy: 16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -1030.476628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.476628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.476628 (E_RNA)
where:
Base-Base interactions energy: -728.258
where: short stacking energy: -295.849
Base-Backbone interact. energy: -0.587
local terms energy: -301.631437
where:
bonds (distance) C4'-P energy: -57.844
bonds (distance) P-C4' energy: -55.851
flat angles C4'-P-C4' energy: -54.447
flat angles P-C4'-P energy: -42.476
tors. eta vs tors. theta energy: -91.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -964.827369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.827369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.827369 (E_RNA)
where:
Base-Base interactions energy: -666.031
where: short stacking energy: -276.204
Base-Backbone interact. energy: -1.695
local terms energy: -297.100868
where:
bonds (distance) C4'-P energy: -53.242
bonds (distance) P-C4' energy: -49.625
flat angles C4'-P-C4' energy: -57.255
flat angles P-C4'-P energy: -46.922
tors. eta vs tors. theta energy: -90.056
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: 8
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -888.215450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.215450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.215450 (E_RNA)
where:
Base-Base interactions energy: -586.639
where: short stacking energy: -255.920
Base-Backbone interact. energy: -1.368
local terms energy: -300.208059
where:
bonds (distance) C4'-P energy: -53.547
bonds (distance) P-C4' energy: -63.272
flat angles C4'-P-C4' energy: -61.988
flat angles P-C4'-P energy: -44.689
tors. eta vs tors. theta energy: -76.712
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: 2
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -895.696381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.696381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.696381 (E_RNA)
where:
Base-Base interactions energy: -603.513
where: short stacking energy: -279.936
Base-Backbone interact. energy: -1.908
local terms energy: -290.275146
where:
bonds (distance) C4'-P energy: -50.924
bonds (distance) P-C4' energy: -54.548
flat angles C4'-P-C4' energy: -59.856
flat angles P-C4'-P energy: -38.839
tors. eta vs tors. theta energy: -86.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -824.308912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.308912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.308912 (E_RNA)
where:
Base-Base interactions energy: -559.708
where: short stacking energy: -243.289
Base-Backbone interact. energy: -2.657
local terms energy: -261.943702
where:
bonds (distance) C4'-P energy: -56.037
bonds (distance) P-C4' energy: -54.991
flat angles C4'-P-C4' energy: -51.344
flat angles P-C4'-P energy: -37.977
tors. eta vs tors. theta energy: -61.596
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: 1
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -752.734224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.734224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.734224 (E_RNA)
where:
Base-Base interactions energy: -490.595
where: short stacking energy: -208.605
Base-Backbone interact. energy: 0.019
local terms energy: -262.158496
where:
bonds (distance) C4'-P energy: -56.790
bonds (distance) P-C4' energy: -46.897
flat angles C4'-P-C4' energy: -64.310
flat angles P-C4'-P energy: -33.267
tors. eta vs tors. theta energy: -60.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -732.650728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.650728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.650728 (E_RNA)
where:
Base-Base interactions energy: -498.842
where: short stacking energy: -222.518
Base-Backbone interact. energy: -2.484
local terms energy: -231.325116
where:
bonds (distance) C4'-P energy: -33.945
bonds (distance) P-C4' energy: -46.150
flat angles C4'-P-C4' energy: -62.181
flat angles P-C4'-P energy: -32.526
tors. eta vs tors. theta energy: -56.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -571.556106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.556106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.556106 (E_RNA)
where:
Base-Base interactions energy: -371.905
where: short stacking energy: -169.444
Base-Backbone interact. energy: 0.223
local terms energy: -199.874360
where:
bonds (distance) C4'-P energy: -40.818
bonds (distance) P-C4' energy: -51.812
flat angles C4'-P-C4' energy: -39.305
flat angles P-C4'-P energy: -35.760
tors. eta vs tors. theta energy: -32.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -478.846071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.846071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.846071 (E_RNA)
where:
Base-Base interactions energy: -290.905
where: short stacking energy: -147.406
Base-Backbone interact. energy: -1.594
local terms energy: -186.347057
where:
bonds (distance) C4'-P energy: -46.187
bonds (distance) P-C4' energy: -47.965
flat angles C4'-P-C4' energy: -42.086
flat angles P-C4'-P energy: -37.355
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -327.316113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -327.316113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -327.316113 (E_RNA)
where:
Base-Base interactions energy: -173.488
where: short stacking energy: -105.551
Base-Backbone interact. energy: -1.754
local terms energy: -152.074574
where:
bonds (distance) C4'-P energy: -46.298
bonds (distance) P-C4' energy: -46.939
flat angles C4'-P-C4' energy: -38.144
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -2.779
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: 4
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1009.348084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.348084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.348084 (E_RNA)
where:
Base-Base interactions energy: -703.989
where: short stacking energy: -278.863
Base-Backbone interact. energy: -0.875
local terms energy: -304.484041
where:
bonds (distance) C4'-P energy: -52.634
bonds (distance) P-C4' energy: -55.357
flat angles C4'-P-C4' energy: -63.702
flat angles P-C4'-P energy: -45.105
tors. eta vs tors. theta energy: -87.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -976.299356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.299356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.299356 (E_RNA)
where:
Base-Base interactions energy: -672.069
where: short stacking energy: -285.251
Base-Backbone interact. energy: -0.205
local terms energy: -304.024938
where:
bonds (distance) C4'-P energy: -48.203
bonds (distance) P-C4' energy: -63.092
flat angles C4'-P-C4' energy: -64.829
flat angles P-C4'-P energy: -41.703
tors. eta vs tors. theta energy: -86.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -910.269521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.269521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.269521 (E_RNA)
where:
Base-Base interactions energy: -613.276
where: short stacking energy: -274.722
Base-Backbone interact. energy: -0.463
local terms energy: -296.530648
where:
bonds (distance) C4'-P energy: -50.579
bonds (distance) P-C4' energy: -56.964
flat angles C4'-P-C4' energy: -62.237
flat angles P-C4'-P energy: -45.945
tors. eta vs tors. theta energy: -80.806
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: 2
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -888.332068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.332068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.332068 (E_RNA)
where:
Base-Base interactions energy: -615.235
where: short stacking energy: -271.771
Base-Backbone interact. energy: -0.923
local terms energy: -272.174164
where:
bonds (distance) C4'-P energy: -40.545
bonds (distance) P-C4' energy: -57.107
flat angles C4'-P-C4' energy: -60.779
flat angles P-C4'-P energy: -36.333
tors. eta vs tors. theta energy: -77.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -826.569160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.569160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.569160 (E_RNA)
where:
Base-Base interactions energy: -551.398
where: short stacking energy: -242.084
Base-Backbone interact. energy: -1.766
local terms energy: -273.405223
where:
bonds (distance) C4'-P energy: -47.712
bonds (distance) P-C4' energy: -59.548
flat angles C4'-P-C4' energy: -51.129
flat angles P-C4'-P energy: -35.613
tors. eta vs tors. theta energy: -79.403
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: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -749.947043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.947043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.947043 (E_RNA)
where:
Base-Base interactions energy: -519.743
where: short stacking energy: -214.617
Base-Backbone interact. energy: 0.556
local terms energy: -230.759965
where:
bonds (distance) C4'-P energy: -48.383
bonds (distance) P-C4' energy: -51.185
flat angles C4'-P-C4' energy: -49.223
flat angles P-C4'-P energy: -29.650
tors. eta vs tors. theta energy: -52.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -704.080386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.080386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.080386 (E_RNA)
where:
Base-Base interactions energy: -472.856
where: short stacking energy: -204.808
Base-Backbone interact. energy: 0.506
local terms energy: -231.730844
where:
bonds (distance) C4'-P energy: -54.843
bonds (distance) P-C4' energy: -52.773
flat angles C4'-P-C4' energy: -44.419
flat angles P-C4'-P energy: -28.955
tors. eta vs tors. theta energy: -50.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -550.026303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.026303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.026303 (E_RNA)
where:
Base-Base interactions energy: -343.183
where: short stacking energy: -158.353
Base-Backbone interact. energy: -1.185
local terms energy: -205.658743
where:
bonds (distance) C4'-P energy: -39.605
bonds (distance) P-C4' energy: -48.549
flat angles C4'-P-C4' energy: -43.815
flat angles P-C4'-P energy: -41.636
tors. eta vs tors. theta energy: -32.053
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: 9, replica: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -435.543749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.543749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.543749 (E_RNA)
where:
Base-Base interactions energy: -254.693
where: short stacking energy: -121.220
Base-Backbone interact. energy: -0.232
local terms energy: -180.618761
where:
bonds (distance) C4'-P energy: -50.850
bonds (distance) P-C4' energy: -44.161
flat angles C4'-P-C4' energy: -40.185
flat angles P-C4'-P energy: -26.275
tors. eta vs tors. theta energy: -19.147
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: 10, replica: 3
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -315.914343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -315.914343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -315.914343 (E_RNA)
where:
Base-Base interactions energy: -162.116
where: short stacking energy: -88.809
Base-Backbone interact. energy: 2.664
local terms energy: -156.462733
where:
bonds (distance) C4'-P energy: -40.009
bonds (distance) P-C4' energy: -43.631
flat angles C4'-P-C4' energy: -37.743
flat angles P-C4'-P energy: -32.786
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1032.758116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.758116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.758116 (E_RNA)
where:
Base-Base interactions energy: -721.509
where: short stacking energy: -321.378
Base-Backbone interact. energy: -0.858
local terms energy: -310.391526
where:
bonds (distance) C4'-P energy: -49.448
bonds (distance) P-C4' energy: -57.937
flat angles C4'-P-C4' energy: -62.389
flat angles P-C4'-P energy: -43.524
tors. eta vs tors. theta energy: -97.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -978.076201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.076201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.076201 (E_RNA)
where:
Base-Base interactions energy: -683.034
where: short stacking energy: -295.923
Base-Backbone interact. energy: -0.534
local terms energy: -294.508201
where:
bonds (distance) C4'-P energy: -50.636
bonds (distance) P-C4' energy: -45.760
flat angles C4'-P-C4' energy: -66.884
flat angles P-C4'-P energy: -41.112
tors. eta vs tors. theta energy: -90.117
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: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -897.177564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.177564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.177564 (E_RNA)
where:
Base-Base interactions energy: -610.031
where: short stacking energy: -278.716
Base-Backbone interact. energy: 2.466
local terms energy: -289.611995
where:
bonds (distance) C4'-P energy: -49.601
bonds (distance) P-C4' energy: -56.241
flat angles C4'-P-C4' energy: -60.598
flat angles P-C4'-P energy: -43.246
tors. eta vs tors. theta energy: -79.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -899.281883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.281883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.281883 (E_RNA)
where:
Base-Base interactions energy: -612.159
where: short stacking energy: -286.203
Base-Backbone interact. energy: 1.518
local terms energy: -288.640161
where:
bonds (distance) C4'-P energy: -42.716
bonds (distance) P-C4' energy: -50.426
flat angles C4'-P-C4' energy: -63.639
flat angles P-C4'-P energy: -41.657
tors. eta vs tors. theta energy: -90.202
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: 289
Temperature: 1.100000
Total energy: -825.503440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.503440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.503440 (E_RNA)
where:
Base-Base interactions energy: -557.277
where: short stacking energy: -237.646
Base-Backbone interact. energy: -2.630
local terms energy: -265.596725
where:
bonds (distance) C4'-P energy: -47.150
bonds (distance) P-C4' energy: -50.995
flat angles C4'-P-C4' energy: -57.583
flat angles P-C4'-P energy: -37.205
tors. eta vs tors. theta energy: -72.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -750.201610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.201610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.201610 (E_RNA)
where:
Base-Base interactions energy: -493.356
where: short stacking energy: -220.458
Base-Backbone interact. energy: 0.345
local terms energy: -257.189936
where:
bonds (distance) C4'-P energy: -58.153
bonds (distance) P-C4' energy: -56.067
flat angles C4'-P-C4' energy: -46.758
flat angles P-C4'-P energy: -35.803
tors. eta vs tors. theta energy: -60.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -755.700403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.700403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.700403 (E_RNA)
where:
Base-Base interactions energy: -490.989
where: short stacking energy: -208.774
Base-Backbone interact. energy: 0.149
local terms energy: -264.860774
where:
bonds (distance) C4'-P energy: -61.822
bonds (distance) P-C4' energy: -52.084
flat angles C4'-P-C4' energy: -58.092
flat angles P-C4'-P energy: -32.145
tors. eta vs tors. theta energy: -60.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -545.804252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.804252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.804252 (E_RNA)
where:
Base-Base interactions energy: -360.485
where: short stacking energy: -157.316
Base-Backbone interact. energy: -1.985
local terms energy: -183.333981
where:
bonds (distance) C4'-P energy: -47.653
bonds (distance) P-C4' energy: -37.571
flat angles C4'-P-C4' energy: -38.700
flat angles P-C4'-P energy: -28.727
tors. eta vs tors. theta energy: -30.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -455.772790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.772790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.772790 (E_RNA)
where:
Base-Base interactions energy: -271.029
where: short stacking energy: -123.160
Base-Backbone interact. energy: -1.497
local terms energy: -183.245968
where:
bonds (distance) C4'-P energy: -48.810
bonds (distance) P-C4' energy: -48.439
flat angles C4'-P-C4' energy: -44.695
flat angles P-C4'-P energy: -24.467
tors. eta vs tors. theta energy: -16.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -304.398019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.398019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.398019 (E_RNA)
where:
Base-Base interactions energy: -147.675
where: short stacking energy: -89.906
Base-Backbone interact. energy: 0.774
local terms energy: -157.497240
where:
bonds (distance) C4'-P energy: -51.750
bonds (distance) P-C4' energy: -53.583
flat angles C4'-P-C4' energy: -36.455
flat angles P-C4'-P energy: -15.984
tors. eta vs tors. theta energy: 0.275
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: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1045.169374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.169374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.169374 (E_RNA)
where:
Base-Base interactions energy: -727.634
where: short stacking energy: -302.683
Base-Backbone interact. energy: -2.070
local terms energy: -315.465521
where:
bonds (distance) C4'-P energy: -57.239
bonds (distance) P-C4' energy: -59.767
flat angles C4'-P-C4' energy: -62.766
flat angles P-C4'-P energy: -44.390
tors. eta vs tors. theta energy: -91.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -971.277214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.277214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.277214 (E_RNA)
where:
Base-Base interactions energy: -673.896
where: short stacking energy: -278.281
Base-Backbone interact. energy: -0.170
local terms energy: -297.210715
where:
bonds (distance) C4'-P energy: -52.602
bonds (distance) P-C4' energy: -56.543
flat angles C4'-P-C4' energy: -59.509
flat angles P-C4'-P energy: -41.365
tors. eta vs tors. theta energy: -87.192
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: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -890.975234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.975234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.975234 (E_RNA)
where:
Base-Base interactions energy: -601.832
where: short stacking energy: -272.179
Base-Backbone interact. energy: -2.773
local terms energy: -286.369956
where:
bonds (distance) C4'-P energy: -54.548
bonds (distance) P-C4' energy: -59.829
flat angles C4'-P-C4' energy: -53.669
flat angles P-C4'-P energy: -35.688
tors. eta vs tors. theta energy: -82.635
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: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -892.867807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.867807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.867807 (E_RNA)
where:
Base-Base interactions energy: -617.993
where: short stacking energy: -273.448
Base-Backbone interact. energy: -0.516
local terms energy: -274.358533
where:
bonds (distance) C4'-P energy: -46.452
bonds (distance) P-C4' energy: -45.602
flat angles C4'-P-C4' energy: -61.103
flat angles P-C4'-P energy: -43.631
tors. eta vs tors. theta energy: -77.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -831.145799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.145799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.145799 (E_RNA)
where:
Base-Base interactions energy: -554.066
where: short stacking energy: -236.777
Base-Backbone interact. energy: -0.645
local terms energy: -276.434556
where:
bonds (distance) C4'-P energy: -53.836
bonds (distance) P-C4' energy: -43.727
flat angles C4'-P-C4' energy: -64.049
flat angles P-C4'-P energy: -42.723
tors. eta vs tors. theta energy: -72.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -776.572274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.572274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.572274 (E_RNA)
where:
Base-Base interactions energy: -515.119
where: short stacking energy: -217.256
Base-Backbone interact. energy: -0.371
local terms energy: -261.082592
where:
bonds (distance) C4'-P energy: -43.031
bonds (distance) P-C4' energy: -53.973
flat angles C4'-P-C4' energy: -57.638
flat angles P-C4'-P energy: -47.619
tors. eta vs tors. theta energy: -58.822
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: 290
Temperature: 1.200000
Total energy: -698.757695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.757695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.757695 (E_RNA)
where:
Base-Base interactions energy: -467.070
where: short stacking energy: -209.786
Base-Backbone interact. energy: -1.803
local terms energy: -229.884469
where:
bonds (distance) C4'-P energy: -45.668
bonds (distance) P-C4' energy: -50.973
flat angles C4'-P-C4' energy: -45.623
flat angles P-C4'-P energy: -33.177
tors. eta vs tors. theta energy: -54.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -551.399513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.399513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.399513 (E_RNA)
where:
Base-Base interactions energy: -339.030
where: short stacking energy: -153.624
Base-Backbone interact. energy: -1.817
local terms energy: -210.552650
where:
bonds (distance) C4'-P energy: -43.546
bonds (distance) P-C4' energy: -46.206
flat angles C4'-P-C4' energy: -54.906
flat angles P-C4'-P energy: -32.006
tors. eta vs tors. theta energy: -33.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -467.695333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.695333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.695333 (E_RNA)
where:
Base-Base interactions energy: -282.672
where: short stacking energy: -154.604
Base-Backbone interact. energy: -1.173
local terms energy: -183.850175
where:
bonds (distance) C4'-P energy: -46.467
bonds (distance) P-C4' energy: -58.610
flat angles C4'-P-C4' energy: -34.474
flat angles P-C4'-P energy: -21.309
tors. eta vs tors. theta energy: -22.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -278.261563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.261563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.261563 (E_RNA)
where:
Base-Base interactions energy: -119.469
where: short stacking energy: -90.804
Base-Backbone interact. energy: -0.994
local terms energy: -157.798010
where:
bonds (distance) C4'-P energy: -46.591
bonds (distance) P-C4' energy: -47.009
flat angles C4'-P-C4' energy: -34.617
flat angles P-C4'-P energy: -23.788
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1031.834013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.834013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.834013 (E_RNA)
where:
Base-Base interactions energy: -723.833
where: short stacking energy: -307.217
Base-Backbone interact. energy: -2.485
local terms energy: -305.515754
where:
bonds (distance) C4'-P energy: -58.918
bonds (distance) P-C4' energy: -43.240
flat angles C4'-P-C4' energy: -68.374
flat angles P-C4'-P energy: -42.128
tors. eta vs tors. theta energy: -92.856
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: 7
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -971.946089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.946089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.946089 (E_RNA)
where:
Base-Base interactions energy: -680.788
where: short stacking energy: -289.096
Base-Backbone interact. energy: -0.076
local terms energy: -291.081579
where:
bonds (distance) C4'-P energy: -56.505
bonds (distance) P-C4' energy: -39.135
flat angles C4'-P-C4' energy: -69.439
flat angles P-C4'-P energy: -36.876
tors. eta vs tors. theta energy: -89.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -920.570679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.570679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.570679 (E_RNA)
where:
Base-Base interactions energy: -616.401
where: short stacking energy: -272.943
Base-Backbone interact. energy: -0.860
local terms energy: -303.308919
where:
bonds (distance) C4'-P energy: -48.740
bonds (distance) P-C4' energy: -58.084
flat angles C4'-P-C4' energy: -58.047
flat angles P-C4'-P energy: -50.278
tors. eta vs tors. theta energy: -88.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -845.477198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.477198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.477198 (E_RNA)
where:
Base-Base interactions energy: -579.058
where: short stacking energy: -261.605
Base-Backbone interact. energy: -0.535
local terms energy: -265.883731
where:
bonds (distance) C4'-P energy: -52.401
bonds (distance) P-C4' energy: -46.993
flat angles C4'-P-C4' energy: -53.999
flat angles P-C4'-P energy: -37.091
tors. eta vs tors. theta energy: -75.400
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: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -814.680514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.680514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.680514 (E_RNA)
where:
Base-Base interactions energy: -543.001
where: short stacking energy: -245.204
Base-Backbone interact. energy: -0.802
local terms energy: -270.877174
where:
bonds (distance) C4'-P energy: -50.088
bonds (distance) P-C4' energy: -51.232
flat angles C4'-P-C4' energy: -66.608
flat angles P-C4'-P energy: -33.094
tors. eta vs tors. theta energy: -69.855
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: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -726.073141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.073141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.073141 (E_RNA)
where:
Base-Base interactions energy: -496.047
where: short stacking energy: -217.525
Base-Backbone interact. energy: -0.807
local terms energy: -229.219812
where:
bonds (distance) C4'-P energy: -49.309
bonds (distance) P-C4' energy: -47.726
flat angles C4'-P-C4' energy: -48.106
flat angles P-C4'-P energy: -27.054
tors. eta vs tors. theta energy: -57.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -726.202900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.202900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.202900 (E_RNA)
where:
Base-Base interactions energy: -488.615
where: short stacking energy: -205.257
Base-Backbone interact. energy: 0.777
local terms energy: -238.364713
where:
bonds (distance) C4'-P energy: -50.261
bonds (distance) P-C4' energy: -52.793
flat angles C4'-P-C4' energy: -46.306
flat angles P-C4'-P energy: -34.560
tors. eta vs tors. theta energy: -54.445
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: 8, replica: 9
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -557.917946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.917946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.917946 (E_RNA)
where:
Base-Base interactions energy: -357.490
where: short stacking energy: -171.982
Base-Backbone interact. energy: -0.329
local terms energy: -200.099034
where:
bonds (distance) C4'-P energy: -40.025
bonds (distance) P-C4' energy: -46.981
flat angles C4'-P-C4' energy: -52.491
flat angles P-C4'-P energy: -33.820
tors. eta vs tors. theta energy: -26.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -487.665136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.665136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.665136 (E_RNA)
where:
Base-Base interactions energy: -292.397
where: short stacking energy: -160.820
Base-Backbone interact. energy: -0.942
local terms energy: -194.325525
where:
bonds (distance) C4'-P energy: -49.538
bonds (distance) P-C4' energy: -39.479
flat angles C4'-P-C4' energy: -39.626
flat angles P-C4'-P energy: -38.530
tors. eta vs tors. theta energy: -27.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -262.123255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.123255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.123255 (E_RNA)
where:
Base-Base interactions energy: -93.074
where: short stacking energy: -73.161
Base-Backbone interact. energy: -0.688
local terms energy: -168.361570
where:
bonds (distance) C4'-P energy: -43.805
bonds (distance) P-C4' energy: -52.781
flat angles C4'-P-C4' energy: -44.800
flat angles P-C4'-P energy: -33.030
tors. eta vs tors. theta energy: 6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1033.623925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.623925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.623925 (E_RNA)
where:
Base-Base interactions energy: -713.138
where: short stacking energy: -286.634
Base-Backbone interact. energy: -1.192
local terms energy: -319.294125
where:
bonds (distance) C4'-P energy: -57.969
bonds (distance) P-C4' energy: -59.125
flat angles C4'-P-C4' energy: -65.605
flat angles P-C4'-P energy: -44.571
tors. eta vs tors. theta energy: -92.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -962.739470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -962.739470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -962.739470 (E_RNA)
where:
Base-Base interactions energy: -676.214
where: short stacking energy: -285.466
Base-Backbone interact. energy: -0.302
local terms energy: -286.223315
where:
bonds (distance) C4'-P energy: -54.371
bonds (distance) P-C4' energy: -54.557
flat angles C4'-P-C4' energy: -59.486
flat angles P-C4'-P energy: -32.444
tors. eta vs tors. theta energy: -85.366
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: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -935.849784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -935.849784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -935.849784 (E_RNA)
where:
Base-Base interactions energy: -621.565
where: short stacking energy: -266.575
Base-Backbone interact. energy: -1.203
local terms energy: -313.082224
where:
bonds (distance) C4'-P energy: -54.277
bonds (distance) P-C4' energy: -56.124
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -51.170
tors. eta vs tors. theta energy: -88.049
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: 4, replica: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -858.217180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.217180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.217180 (E_RNA)
where:
Base-Base interactions energy: -583.835
where: short stacking energy: -260.749
Base-Backbone interact. energy: 0.752
local terms energy: -275.133694
where:
bonds (distance) C4'-P energy: -42.581
bonds (distance) P-C4' energy: -60.422
flat angles C4'-P-C4' energy: -57.567
flat angles P-C4'-P energy: -42.872
tors. eta vs tors. theta energy: -71.692
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: 5
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -826.348958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.348958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.348958 (E_RNA)
where:
Base-Base interactions energy: -565.041
where: short stacking energy: -249.789
Base-Backbone interact. energy: -1.273
local terms energy: -260.035251
where:
bonds (distance) C4'-P energy: -43.633
bonds (distance) P-C4' energy: -49.394
flat angles C4'-P-C4' energy: -60.630
flat angles P-C4'-P energy: -36.362
tors. eta vs tors. theta energy: -70.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -740.513306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.513306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.513306 (E_RNA)
where:
Base-Base interactions energy: -503.139
where: short stacking energy: -222.426
Base-Backbone interact. energy: 1.192
local terms energy: -238.565505
where:
bonds (distance) C4'-P energy: -48.666
bonds (distance) P-C4' energy: -52.881
flat angles C4'-P-C4' energy: -41.694
flat angles P-C4'-P energy: -38.131
tors. eta vs tors. theta energy: -57.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -726.138723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.138723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.138723 (E_RNA)
where:
Base-Base interactions energy: -489.995
where: short stacking energy: -218.329
Base-Backbone interact. energy: -1.712
local terms energy: -234.432478
where:
bonds (distance) C4'-P energy: -46.448
bonds (distance) P-C4' energy: -47.750
flat angles C4'-P-C4' energy: -53.026
flat angles P-C4'-P energy: -24.323
tors. eta vs tors. theta energy: -62.886
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: 9
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -555.612384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -555.612384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -555.612384 (E_RNA)
where:
Base-Base interactions energy: -334.611
where: short stacking energy: -154.121
Base-Backbone interact. energy: -1.373
local terms energy: -219.628593
where:
bonds (distance) C4'-P energy: -52.100
bonds (distance) P-C4' energy: -50.047
flat angles C4'-P-C4' energy: -52.996
flat angles P-C4'-P energy: -38.877
tors. eta vs tors. theta energy: -25.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -437.587156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.587156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.587156 (E_RNA)
where:
Base-Base interactions energy: -252.016
where: short stacking energy: -130.418
Base-Backbone interact. energy: -0.054
local terms energy: -185.517353
where:
bonds (distance) C4'-P energy: -45.924
bonds (distance) P-C4' energy: -46.057
flat angles C4'-P-C4' energy: -41.242
flat angles P-C4'-P energy: -32.777
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -253.125201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.125201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.125201 (E_RNA)
where:
Base-Base interactions energy: -100.604
where: short stacking energy: -85.234
Base-Backbone interact. energy: 2.892
local terms energy: -155.413231
where:
bonds (distance) C4'-P energy: -41.973
bonds (distance) P-C4' energy: -44.840
flat angles C4'-P-C4' energy: -33.320
flat angles P-C4'-P energy: -28.506
tors. eta vs tors. theta energy: -6.775
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: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1035.827707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.827707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.827707 (E_RNA)
where:
Base-Base interactions energy: -718.912
where: short stacking energy: -309.314
Base-Backbone interact. energy: -0.301
local terms energy: -316.614256
where:
bonds (distance) C4'-P energy: -57.355
bonds (distance) P-C4' energy: -55.643
flat angles C4'-P-C4' energy: -66.171
flat angles P-C4'-P energy: -47.339
tors. eta vs tors. theta energy: -90.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -953.760525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.760525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.760525 (E_RNA)
where:
Base-Base interactions energy: -653.735
where: short stacking energy: -279.726
Base-Backbone interact. energy: -1.489
local terms energy: -298.536277
where:
bonds (distance) C4'-P energy: -57.540
bonds (distance) P-C4' energy: -56.108
flat angles C4'-P-C4' energy: -64.701
flat angles P-C4'-P energy: -36.469
tors. eta vs tors. theta energy: -83.718
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: 293
Temperature: 1.000000
Total energy: -929.261681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.261681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.261681 (E_RNA)
where:
Base-Base interactions energy: -638.217
where: short stacking energy: -294.556
Base-Backbone interact. energy: -0.472
local terms energy: -290.573043
where:
bonds (distance) C4'-P energy: -45.108
bonds (distance) P-C4' energy: -52.765
flat angles C4'-P-C4' energy: -63.030
flat angles P-C4'-P energy: -38.596
tors. eta vs tors. theta energy: -91.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -905.707299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.707299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.707299 (E_RNA)
where:
Base-Base interactions energy: -619.858
where: short stacking energy: -290.494
Base-Backbone interact. energy: 0.695
local terms energy: -286.544723
where:
bonds (distance) C4'-P energy: -51.784
bonds (distance) P-C4' energy: -44.087
flat angles C4'-P-C4' energy: -60.804
flat angles P-C4'-P energy: -40.947
tors. eta vs tors. theta energy: -88.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -867.375270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.375270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.375270 (E_RNA)
where:
Base-Base interactions energy: -580.221
where: short stacking energy: -261.116
Base-Backbone interact. energy: -0.791
local terms energy: -286.363321
where:
bonds (distance) C4'-P energy: -50.508
bonds (distance) P-C4' energy: -51.095
flat angles C4'-P-C4' energy: -59.164
flat angles P-C4'-P energy: -47.357
tors. eta vs tors. theta energy: -78.239
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: 293
Temperature: 1.150000
Total energy: -768.736396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.736396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.736396 (E_RNA)
where:
Base-Base interactions energy: -513.492
where: short stacking energy: -231.972
Base-Backbone interact. energy: 0.955
local terms energy: -256.200236
where:
bonds (distance) C4'-P energy: -51.222
bonds (distance) P-C4' energy: -51.094
flat angles C4'-P-C4' energy: -58.020
flat angles P-C4'-P energy: -33.708
tors. eta vs tors. theta energy: -62.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -715.659442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.659442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.659442 (E_RNA)
where:
Base-Base interactions energy: -480.084
where: short stacking energy: -189.847
Base-Backbone interact. energy: -1.368
local terms energy: -234.207283
where:
bonds (distance) C4'-P energy: -51.514
bonds (distance) P-C4' energy: -50.993
flat angles C4'-P-C4' energy: -46.384
flat angles P-C4'-P energy: -40.294
tors. eta vs tors. theta energy: -45.022
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: 9
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -569.150534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -569.150534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -569.150534 (E_RNA)
where:
Base-Base interactions energy: -357.041
where: short stacking energy: -161.868
Base-Backbone interact. energy: -1.079
local terms energy: -211.030853
where:
bonds (distance) C4'-P energy: -55.903
bonds (distance) P-C4' energy: -51.971
flat angles C4'-P-C4' energy: -33.015
flat angles P-C4'-P energy: -29.857
tors. eta vs tors. theta energy: -40.284
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: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -458.645164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.645164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.645164 (E_RNA)
where:
Base-Base interactions energy: -266.940
where: short stacking energy: -132.514
Base-Backbone interact. energy: 2.460
local terms energy: -194.165599
where:
bonds (distance) C4'-P energy: -52.118
bonds (distance) P-C4' energy: -52.435
flat angles C4'-P-C4' energy: -38.982
flat angles P-C4'-P energy: -30.631
tors. eta vs tors. theta energy: -19.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -290.030552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.030552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.030552 (E_RNA)
where:
Base-Base interactions energy: -136.473
where: short stacking energy: -94.087
Base-Backbone interact. energy: -0.517
local terms energy: -153.039569
where:
bonds (distance) C4'-P energy: -44.683
bonds (distance) P-C4' energy: -43.947
flat angles C4'-P-C4' energy: -36.084
flat angles P-C4'-P energy: -32.949
tors. eta vs tors. theta energy: 4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1022.692998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.692998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.692998 (E_RNA)
where:
Base-Base interactions energy: -697.813
where: short stacking energy: -289.578
Base-Backbone interact. energy: -3.388
local terms energy: -321.491428
where:
bonds (distance) C4'-P energy: -55.179
bonds (distance) P-C4' energy: -63.028
flat angles C4'-P-C4' energy: -68.015
flat angles P-C4'-P energy: -47.323
tors. eta vs tors. theta energy: -87.946
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: 7
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -975.082661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.082661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.082661 (E_RNA)
where:
Base-Base interactions energy: -673.928
where: short stacking energy: -289.992
Base-Backbone interact. energy: -0.221
local terms energy: -300.934270
where:
bonds (distance) C4'-P energy: -56.205
bonds (distance) P-C4' energy: -65.472
flat angles C4'-P-C4' energy: -54.968
flat angles P-C4'-P energy: -39.683
tors. eta vs tors. theta energy: -84.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -928.034915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -928.034915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -928.034915 (E_RNA)
where:
Base-Base interactions energy: -644.313
where: short stacking energy: -286.556
Base-Backbone interact. energy: 1.044
local terms energy: -284.765403
where:
bonds (distance) C4'-P energy: -54.437
bonds (distance) P-C4' energy: -52.256
flat angles C4'-P-C4' energy: -54.441
flat angles P-C4'-P energy: -35.354
tors. eta vs tors. theta energy: -88.277
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: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -902.215422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.215422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.215422 (E_RNA)
where:
Base-Base interactions energy: -608.279
where: short stacking energy: -266.227
Base-Backbone interact. energy: -0.784
local terms energy: -293.151967
where:
bonds (distance) C4'-P energy: -49.316
bonds (distance) P-C4' energy: -62.800
flat angles C4'-P-C4' energy: -60.150
flat angles P-C4'-P energy: -38.841
tors. eta vs tors. theta energy: -82.046
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: 5
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -837.678051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.678051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.678051 (E_RNA)
where:
Base-Base interactions energy: -575.682
where: short stacking energy: -255.392
Base-Backbone interact. energy: 0.316
local terms energy: -262.312073
where:
bonds (distance) C4'-P energy: -56.084
bonds (distance) P-C4' energy: -37.799
flat angles C4'-P-C4' energy: -61.207
flat angles P-C4'-P energy: -30.707
tors. eta vs tors. theta energy: -76.514
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: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -767.529070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.529070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.529070 (E_RNA)
where:
Base-Base interactions energy: -499.554
where: short stacking energy: -231.237
Base-Backbone interact. energy: -0.297
local terms energy: -267.678026
where:
bonds (distance) C4'-P energy: -51.930
bonds (distance) P-C4' energy: -53.314
flat angles C4'-P-C4' energy: -63.620
flat angles P-C4'-P energy: -34.812
tors. eta vs tors. theta energy: -64.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -722.523162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.523162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.523162 (E_RNA)
where:
Base-Base interactions energy: -489.981
where: short stacking energy: -221.416
Base-Backbone interact. energy: -0.759
local terms energy: -231.783859
where:
bonds (distance) C4'-P energy: -47.730
bonds (distance) P-C4' energy: -49.226
flat angles C4'-P-C4' energy: -50.475
flat angles P-C4'-P energy: -33.432
tors. eta vs tors. theta energy: -50.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -564.261515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.261515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.261515 (E_RNA)
where:
Base-Base interactions energy: -373.381
where: short stacking energy: -171.193
Base-Backbone interact. energy: -0.970
local terms energy: -189.910095
where:
bonds (distance) C4'-P energy: -34.590
bonds (distance) P-C4' energy: -37.387
flat angles C4'-P-C4' energy: -49.445
flat angles P-C4'-P energy: -22.305
tors. eta vs tors. theta energy: -46.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -329.783930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.783930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.783930 (E_RNA)
where:
Base-Base interactions energy: -162.522
where: short stacking energy: -76.278
Base-Backbone interact. energy: -0.643
local terms energy: -166.618481
where:
bonds (distance) C4'-P energy: -46.555
bonds (distance) P-C4' energy: -56.606
flat angles C4'-P-C4' energy: -46.489
flat angles P-C4'-P energy: -22.639
tors. eta vs tors. theta energy: 5.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -451.922601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.922601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.922601 (E_RNA)
where:
Base-Base interactions energy: -252.030
where: short stacking energy: -121.173
Base-Backbone interact. energy: -2.035
local terms energy: -197.857168
where:
bonds (distance) C4'-P energy: -50.270
bonds (distance) P-C4' energy: -61.450
flat angles C4'-P-C4' energy: -49.456
flat angles P-C4'-P energy: -23.312
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1025.427905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.427905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.427905 (E_RNA)
where:
Base-Base interactions energy: -707.390
where: short stacking energy: -304.330
Base-Backbone interact. energy: -1.659
local terms energy: -316.379586
where:
bonds (distance) C4'-P energy: -56.464
bonds (distance) P-C4' energy: -60.166
flat angles C4'-P-C4' energy: -67.452
flat angles P-C4'-P energy: -41.358
tors. eta vs tors. theta energy: -90.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -971.199649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.199649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.199649 (E_RNA)
where:
Base-Base interactions energy: -655.580
where: short stacking energy: -287.046
Base-Backbone interact. energy: -1.801
local terms energy: -313.818025
where:
bonds (distance) C4'-P energy: -50.413
bonds (distance) P-C4' energy: -57.307
flat angles C4'-P-C4' energy: -67.257
flat angles P-C4'-P energy: -46.137
tors. eta vs tors. theta energy: -92.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -963.809239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.809239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.809239 (E_RNA)
where:
Base-Base interactions energy: -652.021
where: short stacking energy: -289.545
Base-Backbone interact. energy: 0.021
local terms energy: -311.808788
where:
bonds (distance) C4'-P energy: -46.413
bonds (distance) P-C4' energy: -61.854
flat angles C4'-P-C4' energy: -67.232
flat angles P-C4'-P energy: -47.615
tors. eta vs tors. theta energy: -88.695
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: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -899.115352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.115352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.115352 (E_RNA)
where:
Base-Base interactions energy: -618.718
where: short stacking energy: -282.987
Base-Backbone interact. energy: -1.017
local terms energy: -279.380396
where:
bonds (distance) C4'-P energy: -50.057
bonds (distance) P-C4' energy: -45.539
flat angles C4'-P-C4' energy: -63.749
flat angles P-C4'-P energy: -33.810
tors. eta vs tors. theta energy: -86.225
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: 295
Temperature: 1.100000
Total energy: -814.617333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.617333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.617333 (E_RNA)
where:
Base-Base interactions energy: -558.036
where: short stacking energy: -238.522
Base-Backbone interact. energy: -1.302
local terms energy: -255.279526
where:
bonds (distance) C4'-P energy: -34.127
bonds (distance) P-C4' energy: -58.534
flat angles C4'-P-C4' energy: -55.911
flat angles P-C4'-P energy: -32.822
tors. eta vs tors. theta energy: -73.885
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: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -756.390257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.390257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.390257 (E_RNA)
where:
Base-Base interactions energy: -504.704
where: short stacking energy: -232.805
Base-Backbone interact. energy: -0.664
local terms energy: -251.022791
where:
bonds (distance) C4'-P energy: -50.491
bonds (distance) P-C4' energy: -45.414
flat angles C4'-P-C4' energy: -51.977
flat angles P-C4'-P energy: -41.067
tors. eta vs tors. theta energy: -62.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -702.497908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.497908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.497908 (E_RNA)
where:
Base-Base interactions energy: -458.427
where: short stacking energy: -204.805
Base-Backbone interact. energy: -0.996
local terms energy: -243.074141
where:
bonds (distance) C4'-P energy: -56.359
bonds (distance) P-C4' energy: -52.186
flat angles C4'-P-C4' energy: -52.433
flat angles P-C4'-P energy: -28.288
tors. eta vs tors. theta energy: -53.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -591.792545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.792545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.792545 (E_RNA)
where:
Base-Base interactions energy: -382.767
where: short stacking energy: -187.000
Base-Backbone interact. energy: 0.736
local terms energy: -209.761259
where:
bonds (distance) C4'-P energy: -34.943
bonds (distance) P-C4' energy: -53.970
flat angles C4'-P-C4' energy: -43.912
flat angles P-C4'-P energy: -31.146
tors. eta vs tors. theta energy: -45.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -338.757028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -338.757028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -338.757028 (E_RNA)
where:
Base-Base interactions energy: -181.546
where: short stacking energy: -92.560
Base-Backbone interact. energy: -1.740
local terms energy: -155.471350
where:
bonds (distance) C4'-P energy: -37.421
bonds (distance) P-C4' energy: -53.656
flat angles C4'-P-C4' energy: -40.364
flat angles P-C4'-P energy: -21.944
tors. eta vs tors. theta energy: -2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -422.845070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -422.845070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -422.845070 (E_RNA)
where:
Base-Base interactions energy: -242.631
where: short stacking energy: -127.666
Base-Backbone interact. energy: -1.216
local terms energy: -178.997791
where:
bonds (distance) C4'-P energy: -45.204
bonds (distance) P-C4' energy: -46.430
flat angles C4'-P-C4' energy: -41.364
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -22.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1042.741622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.741622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.741622 (E_RNA)
where:
Base-Base interactions energy: -731.281
where: short stacking energy: -308.633
Base-Backbone interact. energy: -2.945
local terms energy: -308.515488
where:
bonds (distance) C4'-P energy: -55.820
bonds (distance) P-C4' energy: -52.996
flat angles C4'-P-C4' energy: -67.691
flat angles P-C4'-P energy: -43.807
tors. eta vs tors. theta energy: -88.202
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: 7
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -973.652119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.652119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.652119 (E_RNA)
where:
Base-Base interactions energy: -681.343
where: short stacking energy: -280.984
Base-Backbone interact. energy: 0.100
local terms energy: -292.409108
where:
bonds (distance) C4'-P energy: -54.471
bonds (distance) P-C4' energy: -52.052
flat angles C4'-P-C4' energy: -58.989
flat angles P-C4'-P energy: -41.386
tors. eta vs tors. theta energy: -85.511
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: 8
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -915.267155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.267155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.267155 (E_RNA)
where:
Base-Base interactions energy: -616.030
where: short stacking energy: -278.179
Base-Backbone interact. energy: -0.346
local terms energy: -298.890665
where:
bonds (distance) C4'-P energy: -57.375
bonds (distance) P-C4' energy: -60.781
flat angles C4'-P-C4' energy: -57.041
flat angles P-C4'-P energy: -41.044
tors. eta vs tors. theta energy: -82.649
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: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -900.448611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.448611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.448611 (E_RNA)
where:
Base-Base interactions energy: -611.838
where: short stacking energy: -286.104
Base-Backbone interact. energy: -0.471
local terms energy: -288.139020
where:
bonds (distance) C4'-P energy: -53.168
bonds (distance) P-C4' energy: -52.906
flat angles C4'-P-C4' energy: -54.514
flat angles P-C4'-P energy: -40.595
tors. eta vs tors. theta energy: -86.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -773.217612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.217612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.217612 (E_RNA)
where:
Base-Base interactions energy: -507.705
where: short stacking energy: -222.573
Base-Backbone interact. energy: -1.549
local terms energy: -263.963420
where:
bonds (distance) C4'-P energy: -54.620
bonds (distance) P-C4' energy: -53.819
flat angles C4'-P-C4' energy: -58.433
flat angles P-C4'-P energy: -34.548
tors. eta vs tors. theta energy: -62.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -817.666750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.666750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.666750 (E_RNA)
where:
Base-Base interactions energy: -543.264
where: short stacking energy: -234.066
Base-Backbone interact. energy: -1.125
local terms energy: -273.278092
where:
bonds (distance) C4'-P energy: -51.803
bonds (distance) P-C4' energy: -48.520
flat angles C4'-P-C4' energy: -61.899
flat angles P-C4'-P energy: -42.715
tors. eta vs tors. theta energy: -68.341
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: 10
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -703.274338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.274338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.274338 (E_RNA)
where:
Base-Base interactions energy: -456.789
where: short stacking energy: -185.584
Base-Backbone interact. energy: -2.020
local terms energy: -244.464800
where:
bonds (distance) C4'-P energy: -45.593
bonds (distance) P-C4' energy: -56.303
flat angles C4'-P-C4' energy: -60.428
flat angles P-C4'-P energy: -35.646
tors. eta vs tors. theta energy: -46.494
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: 9
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -612.298377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.298377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.298377 (E_RNA)
where:
Base-Base interactions energy: -400.571
where: short stacking energy: -183.921
Base-Backbone interact. energy: -0.785
local terms energy: -210.942992
where:
bonds (distance) C4'-P energy: -44.884
bonds (distance) P-C4' energy: -44.461
flat angles C4'-P-C4' energy: -41.510
flat angles P-C4'-P energy: -38.862
tors. eta vs tors. theta energy: -41.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -448.366768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.366768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.366768 (E_RNA)
where:
Base-Base interactions energy: -272.457
where: short stacking energy: -144.399
Base-Backbone interact. energy: 0.765
local terms energy: -176.674640
where:
bonds (distance) C4'-P energy: -41.575
bonds (distance) P-C4' energy: -50.383
flat angles C4'-P-C4' energy: -49.886
flat angles P-C4'-P energy: -23.228
tors. eta vs tors. theta energy: -11.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -320.956180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.956180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.956180 (E_RNA)
where:
Base-Base interactions energy: -162.065
where: short stacking energy: -91.713
Base-Backbone interact. energy: 1.754
local terms energy: -160.645352
where:
bonds (distance) C4'-P energy: -52.963
bonds (distance) P-C4' energy: -50.340
flat angles C4'-P-C4' energy: -43.442
flat angles P-C4'-P energy: -19.659
tors. eta vs tors. theta energy: 5.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1028.247191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.247191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.247191 (E_RNA)
where:
Base-Base interactions energy: -727.464
where: short stacking energy: -309.602
Base-Backbone interact. energy: -2.561
local terms energy: -298.222101
where:
bonds (distance) C4'-P energy: -48.270
bonds (distance) P-C4' energy: -61.727
flat angles C4'-P-C4' energy: -63.407
flat angles P-C4'-P energy: -32.988
tors. eta vs tors. theta energy: -91.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -984.342039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.342039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.342039 (E_RNA)
where:
Base-Base interactions energy: -687.313
where: short stacking energy: -295.329
Base-Backbone interact. energy: -1.338
local terms energy: -295.691625
where:
bonds (distance) C4'-P energy: -46.470
bonds (distance) P-C4' energy: -54.537
flat angles C4'-P-C4' energy: -65.946
flat angles P-C4'-P energy: -39.156
tors. eta vs tors. theta energy: -89.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -912.009882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.009882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.009882 (E_RNA)
where:
Base-Base interactions energy: -633.240
where: short stacking energy: -251.518
Base-Backbone interact. energy: -1.885
local terms energy: -276.884864
where:
bonds (distance) C4'-P energy: -56.277
bonds (distance) P-C4' energy: -50.957
flat angles C4'-P-C4' energy: -60.284
flat angles P-C4'-P energy: -38.032
tors. eta vs tors. theta energy: -71.334
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: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -810.850015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.850015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.850015 (E_RNA)
where:
Base-Base interactions energy: -529.111
where: short stacking energy: -252.567
Base-Backbone interact. energy: -1.095
local terms energy: -280.644622
where:
bonds (distance) C4'-P energy: -51.306
bonds (distance) P-C4' energy: -53.491
flat angles C4'-P-C4' energy: -59.578
flat angles P-C4'-P energy: -36.980
tors. eta vs tors. theta energy: -79.290
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: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -884.472936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.472936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.472936 (E_RNA)
where:
Base-Base interactions energy: -599.859
where: short stacking energy: -272.059
Base-Backbone interact. energy: 1.328
local terms energy: -285.942498
where:
bonds (distance) C4'-P energy: -49.662
bonds (distance) P-C4' energy: -57.050
flat angles C4'-P-C4' energy: -64.735
flat angles P-C4'-P energy: -31.504
tors. eta vs tors. theta energy: -82.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -790.857904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.857904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.857904 (E_RNA)
where:
Base-Base interactions energy: -532.554
where: short stacking energy: -242.327
Base-Backbone interact. energy: -2.249
local terms energy: -256.055271
where:
bonds (distance) C4'-P energy: -47.288
bonds (distance) P-C4' energy: -43.713
flat angles C4'-P-C4' energy: -60.027
flat angles P-C4'-P energy: -34.458
tors. eta vs tors. theta energy: -70.570
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: 10
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -729.399132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.399132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.399132 (E_RNA)
where:
Base-Base interactions energy: -476.352
where: short stacking energy: -201.012
Base-Backbone interact. energy: -0.744
local terms energy: -252.302294
where:
bonds (distance) C4'-P energy: -54.581
bonds (distance) P-C4' energy: -52.099
flat angles C4'-P-C4' energy: -62.886
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: -51.508
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: 9
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -619.077884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.077884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.077884 (E_RNA)
where:
Base-Base interactions energy: -394.183
where: short stacking energy: -177.825
Base-Backbone interact. energy: -0.581
local terms energy: -224.313620
where:
bonds (distance) C4'-P energy: -51.447
bonds (distance) P-C4' energy: -48.609
flat angles C4'-P-C4' energy: -46.343
flat angles P-C4'-P energy: -32.735
tors. eta vs tors. theta energy: -45.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -461.385144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.385144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.385144 (E_RNA)
where:
Base-Base interactions energy: -270.804
where: short stacking energy: -144.144
Base-Backbone interact. energy: -0.325
local terms energy: -190.255876
where:
bonds (distance) C4'-P energy: -54.093
bonds (distance) P-C4' energy: -43.799
flat angles C4'-P-C4' energy: -39.938
flat angles P-C4'-P energy: -31.569
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -329.552416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.552416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.552416 (E_RNA)
where:
Base-Base interactions energy: -177.611
where: short stacking energy: -94.828
Base-Backbone interact. energy: -2.621
local terms energy: -149.319626
where:
bonds (distance) C4'-P energy: -45.805
bonds (distance) P-C4' energy: -43.473
flat angles C4'-P-C4' energy: -43.972
flat angles P-C4'-P energy: -16.311
tors. eta vs tors. theta energy: 0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1035.588351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.588351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.588351 (E_RNA)
where:
Base-Base interactions energy: -708.130
where: short stacking energy: -306.292
Base-Backbone interact. energy: -0.211
local terms energy: -327.247421
where:
bonds (distance) C4'-P energy: -59.179
bonds (distance) P-C4' energy: -63.206
flat angles C4'-P-C4' energy: -63.155
flat angles P-C4'-P energy: -49.861
tors. eta vs tors. theta energy: -91.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -984.215930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.215930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.215930 (E_RNA)
where:
Base-Base interactions energy: -684.121
where: short stacking energy: -296.028
Base-Backbone interact. energy: -0.675
local terms energy: -299.420601
where:
bonds (distance) C4'-P energy: -48.224
bonds (distance) P-C4' energy: -55.524
flat angles C4'-P-C4' energy: -65.949
flat angles P-C4'-P energy: -43.257
tors. eta vs tors. theta energy: -86.467
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: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -918.406135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.406135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.406135 (E_RNA)
where:
Base-Base interactions energy: -612.338
where: short stacking energy: -276.531
Base-Backbone interact. energy: -1.177
local terms energy: -304.891192
where:
bonds (distance) C4'-P energy: -59.578
bonds (distance) P-C4' energy: -54.516
flat angles C4'-P-C4' energy: -65.354
flat angles P-C4'-P energy: -40.683
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: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -792.538073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.538073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.538073 (E_RNA)
where:
Base-Base interactions energy: -528.940
where: short stacking energy: -245.469
Base-Backbone interact. energy: -0.798
local terms energy: -262.799639
where:
bonds (distance) C4'-P energy: -43.394
bonds (distance) P-C4' energy: -58.934
flat angles C4'-P-C4' energy: -56.889
flat angles P-C4'-P energy: -33.364
tors. eta vs tors. theta energy: -70.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -862.020391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.020391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.020391 (E_RNA)
where:
Base-Base interactions energy: -590.163
where: short stacking energy: -261.172
Base-Backbone interact. energy: -0.834
local terms energy: -271.023807
where:
bonds (distance) C4'-P energy: -42.924
bonds (distance) P-C4' energy: -49.624
flat angles C4'-P-C4' energy: -56.895
flat angles P-C4'-P energy: -36.744
tors. eta vs tors. theta energy: -84.836
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: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -756.776941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.776941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.776941 (E_RNA)
where:
Base-Base interactions energy: -506.631
where: short stacking energy: -233.582
Base-Backbone interact. energy: -0.797
local terms energy: -249.349413
where:
bonds (distance) C4'-P energy: -49.825
bonds (distance) P-C4' energy: -47.664
flat angles C4'-P-C4' energy: -51.779
flat angles P-C4'-P energy: -38.031
tors. eta vs tors. theta energy: -62.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -721.124724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.124724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.124724 (E_RNA)
where:
Base-Base interactions energy: -504.128
where: short stacking energy: -216.784
Base-Backbone interact. energy: -0.490
local terms energy: -216.506518
where:
bonds (distance) C4'-P energy: -47.151
bonds (distance) P-C4' energy: -44.565
flat angles C4'-P-C4' energy: -41.408
flat angles P-C4'-P energy: -25.518
tors. eta vs tors. theta energy: -57.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -601.278954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.278954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.278954 (E_RNA)
where:
Base-Base interactions energy: -399.403
where: short stacking energy: -177.597
Base-Backbone interact. energy: -0.442
local terms energy: -201.433445
where:
bonds (distance) C4'-P energy: -56.310
bonds (distance) P-C4' energy: -36.259
flat angles C4'-P-C4' energy: -41.231
flat angles P-C4'-P energy: -29.833
tors. eta vs tors. theta energy: -37.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -475.297709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.297709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.297709 (E_RNA)
where:
Base-Base interactions energy: -275.790
where: short stacking energy: -142.424
Base-Backbone interact. energy: -0.382
local terms energy: -199.125775
where:
bonds (distance) C4'-P energy: -48.844
bonds (distance) P-C4' energy: -39.350
flat angles C4'-P-C4' energy: -49.197
flat angles P-C4'-P energy: -25.223
tors. eta vs tors. theta energy: -36.512
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: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -328.180431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -328.180431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -328.180431 (E_RNA)
where:
Base-Base interactions energy: -162.441
where: short stacking energy: -95.819
Base-Backbone interact. energy: -1.319
local terms energy: -164.420179
where:
bonds (distance) C4'-P energy: -38.578
bonds (distance) P-C4' energy: -51.327
flat angles C4'-P-C4' energy: -40.198
flat angles P-C4'-P energy: -28.479
tors. eta vs tors. theta energy: -5.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1055.161704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.161704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.161704 (E_RNA)
where:
Base-Base interactions energy: -743.634
where: short stacking energy: -301.322
Base-Backbone interact. energy: -2.073
local terms energy: -309.454999
where:
bonds (distance) C4'-P energy: -53.247
bonds (distance) P-C4' energy: -53.022
flat angles C4'-P-C4' energy: -75.127
flat angles P-C4'-P energy: -36.603
tors. eta vs tors. theta energy: -91.456
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: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1001.140124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.140124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.140124 (E_RNA)
where:
Base-Base interactions energy: -684.330
where: short stacking energy: -281.292
Base-Backbone interact. energy: -0.567
local terms energy: -316.243126
where:
bonds (distance) C4'-P energy: -55.296
bonds (distance) P-C4' energy: -51.548
flat angles C4'-P-C4' energy: -67.067
flat angles P-C4'-P energy: -44.727
tors. eta vs tors. theta energy: -97.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -916.376040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.376040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.376040 (E_RNA)
where:
Base-Base interactions energy: -639.819
where: short stacking energy: -274.222
Base-Backbone interact. energy: -0.811
local terms energy: -275.746023
where:
bonds (distance) C4'-P energy: -37.344
bonds (distance) P-C4' energy: -47.756
flat angles C4'-P-C4' energy: -63.416
flat angles P-C4'-P energy: -45.452
tors. eta vs tors. theta energy: -81.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -871.172628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.172628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.172628 (E_RNA)
where:
Base-Base interactions energy: -587.074
where: short stacking energy: -262.987
Base-Backbone interact. energy: -1.194
local terms energy: -282.904214
where:
bonds (distance) C4'-P energy: -54.322
bonds (distance) P-C4' energy: -58.103
flat angles C4'-P-C4' energy: -56.900
flat angles P-C4'-P energy: -33.739
tors. eta vs tors. theta energy: -79.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -778.923428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.923428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.923428 (E_RNA)
where:
Base-Base interactions energy: -546.646
where: short stacking energy: -256.090
Base-Backbone interact. energy: -0.259
local terms energy: -232.017881
where:
bonds (distance) C4'-P energy: -39.656
bonds (distance) P-C4' energy: -42.148
flat angles C4'-P-C4' energy: -52.128
flat angles P-C4'-P energy: -34.220
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: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -721.158218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.158218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.158218 (E_RNA)
where:
Base-Base interactions energy: -496.057
where: short stacking energy: -224.146
Base-Backbone interact. energy: 1.408
local terms energy: -226.509032
where:
bonds (distance) C4'-P energy: -46.420
bonds (distance) P-C4' energy: -50.760
flat angles C4'-P-C4' energy: -48.985
flat angles P-C4'-P energy: -30.343
tors. eta vs tors. theta energy: -50.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -724.278330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.278330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.278330 (E_RNA)
where:
Base-Base interactions energy: -490.234
where: short stacking energy: -198.767
Base-Backbone interact. energy: -0.623
local terms energy: -233.421853
where:
bonds (distance) C4'-P energy: -45.927
bonds (distance) P-C4' energy: -47.090
flat angles C4'-P-C4' energy: -58.594
flat angles P-C4'-P energy: -29.975
tors. eta vs tors. theta energy: -51.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -591.399605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.399605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.399605 (E_RNA)
where:
Base-Base interactions energy: -377.285
where: short stacking energy: -165.440
Base-Backbone interact. energy: 0.878
local terms energy: -214.992299
where:
bonds (distance) C4'-P energy: -44.016
bonds (distance) P-C4' energy: -43.969
flat angles C4'-P-C4' energy: -48.237
flat angles P-C4'-P energy: -42.988
tors. eta vs tors. theta energy: -35.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -501.243665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -501.243665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -501.243665 (E_RNA)
where:
Base-Base interactions energy: -285.361
where: short stacking energy: -141.095
Base-Backbone interact. energy: -0.951
local terms energy: -214.932201
where:
bonds (distance) C4'-P energy: -53.464
bonds (distance) P-C4' energy: -49.535
flat angles C4'-P-C4' energy: -48.793
flat angles P-C4'-P energy: -39.249
tors. eta vs tors. theta energy: -23.891
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: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -392.945851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -392.945851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -392.945851 (E_RNA)
where:
Base-Base interactions energy: -236.559
where: short stacking energy: -116.946
Base-Backbone interact. energy: -1.219
local terms energy: -155.167835
where:
bonds (distance) C4'-P energy: -49.087
bonds (distance) P-C4' energy: -48.613
flat angles C4'-P-C4' energy: -31.103
flat angles P-C4'-P energy: -15.870
tors. eta vs tors. theta energy: -10.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -1023.224579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.224579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.224579 (E_RNA)
where:
Base-Base interactions energy: -715.113
where: short stacking energy: -296.569
Base-Backbone interact. energy: -0.928
local terms energy: -307.183693
where:
bonds (distance) C4'-P energy: -47.268
bonds (distance) P-C4' energy: -59.994
flat angles C4'-P-C4' energy: -62.182
flat angles P-C4'-P energy: -44.749
tors. eta vs tors. theta energy: -92.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -981.283882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.283882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.283882 (E_RNA)
where:
Base-Base interactions energy: -686.524
where: short stacking energy: -278.602
Base-Backbone interact. energy: -0.610
local terms energy: -294.149771
where:
bonds (distance) C4'-P energy: -49.496
bonds (distance) P-C4' energy: -55.099
flat angles C4'-P-C4' energy: -60.304
flat angles P-C4'-P energy: -41.135
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: 3, replica: 8
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -901.491350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.491350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.491350 (E_RNA)
where:
Base-Base interactions energy: -614.785
where: short stacking energy: -272.471
Base-Backbone interact. energy: 0.256
local terms energy: -286.962880
where:
bonds (distance) C4'-P energy: -50.893
bonds (distance) P-C4' energy: -54.753
flat angles C4'-P-C4' energy: -60.216
flat angles P-C4'-P energy: -37.313
tors. eta vs tors. theta energy: -83.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -862.066199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.066199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.066199 (E_RNA)
where:
Base-Base interactions energy: -596.548
where: short stacking energy: -266.522
Base-Backbone interact. energy: -0.279
local terms energy: -265.238859
where:
bonds (distance) C4'-P energy: -50.498
bonds (distance) P-C4' energy: -47.546
flat angles C4'-P-C4' energy: -56.361
flat angles P-C4'-P energy: -36.218
tors. eta vs tors. theta energy: -74.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -786.060475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.060475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.060475 (E_RNA)
where:
Base-Base interactions energy: -510.380
where: short stacking energy: -226.226
Base-Backbone interact. energy: 0.468
local terms energy: -276.148255
where:
bonds (distance) C4'-P energy: -55.289
bonds (distance) P-C4' energy: -60.123
flat angles C4'-P-C4' energy: -54.369
flat angles P-C4'-P energy: -41.131
tors. eta vs tors. theta energy: -65.235
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: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -789.480089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.480089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.480089 (E_RNA)
where:
Base-Base interactions energy: -531.117
where: short stacking energy: -235.039
Base-Backbone interact. energy: -0.218
local terms energy: -258.145104
where:
bonds (distance) C4'-P energy: -50.296
bonds (distance) P-C4' energy: -51.497
flat angles C4'-P-C4' energy: -58.215
flat angles P-C4'-P energy: -26.615
tors. eta vs tors. theta energy: -71.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -706.308547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.308547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.308547 (E_RNA)
where:
Base-Base interactions energy: -483.460
where: short stacking energy: -213.631
Base-Backbone interact. energy: -0.214
local terms energy: -222.634914
where:
bonds (distance) C4'-P energy: -51.923
bonds (distance) P-C4' energy: -46.165
flat angles C4'-P-C4' energy: -45.488
flat angles P-C4'-P energy: -34.646
tors. eta vs tors. theta energy: -44.413
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: 8, replica: 9
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -620.180261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.180261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.180261 (E_RNA)
where:
Base-Base interactions energy: -410.872
where: short stacking energy: -194.115
Base-Backbone interact. energy: -0.157
local terms energy: -209.150642
where:
bonds (distance) C4'-P energy: -46.263
bonds (distance) P-C4' energy: -40.016
flat angles C4'-P-C4' energy: -40.970
flat angles P-C4'-P energy: -32.309
tors. eta vs tors. theta energy: -49.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -482.776372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -482.776372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -482.776372 (E_RNA)
where:
Base-Base interactions energy: -277.992
where: short stacking energy: -125.223
Base-Backbone interact. energy: 2.908
local terms energy: -207.692443
where:
bonds (distance) C4'-P energy: -50.908
bonds (distance) P-C4' energy: -56.557
flat angles C4'-P-C4' energy: -48.889
flat angles P-C4'-P energy: -28.888
tors. eta vs tors. theta energy: -22.450
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: 3
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -358.450290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.450290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.450290 (E_RNA)
where:
Base-Base interactions energy: -192.160
where: short stacking energy: -102.812
Base-Backbone interact. energy: 0.089
local terms energy: -166.379697
where:
bonds (distance) C4'-P energy: -43.503
bonds (distance) P-C4' energy: -44.962
flat angles C4'-P-C4' energy: -38.387
flat angles P-C4'-P energy: -29.598
tors. eta vs tors. theta energy: -9.930
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: 1, replica: 4
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1038.548314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.548314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.548314 (E_RNA)
where:
Base-Base interactions energy: -730.535
where: short stacking energy: -292.253
Base-Backbone interact. energy: -1.116
local terms energy: -306.897457
where:
bonds (distance) C4'-P energy: -53.296
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -67.213
flat angles P-C4'-P energy: -45.397
tors. eta vs tors. theta energy: -87.744
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: 2, replica: 8
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -931.863346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.863346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.863346 (E_RNA)
where:
Base-Base interactions energy: -630.874
where: short stacking energy: -277.396
Base-Backbone interact. energy: -1.268
local terms energy: -299.721751
where:
bonds (distance) C4'-P energy: -55.509
bonds (distance) P-C4' energy: -54.624
flat angles C4'-P-C4' energy: -63.876
flat angles P-C4'-P energy: -47.251
tors. eta vs tors. theta energy: -78.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -961.172278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.172278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.172278 (E_RNA)
where:
Base-Base interactions energy: -665.241
where: short stacking energy: -277.386
Base-Backbone interact. energy: -1.421
local terms energy: -294.510422
where:
bonds (distance) C4'-P energy: -49.157
bonds (distance) P-C4' energy: -53.474
flat angles C4'-P-C4' energy: -60.346
flat angles P-C4'-P energy: -39.977
tors. eta vs tors. theta energy: -91.556
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: 2
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -898.162938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.162938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.162938 (E_RNA)
where:
Base-Base interactions energy: -603.739
where: short stacking energy: -269.689
Base-Backbone interact. energy: -2.094
local terms energy: -292.330107
where:
bonds (distance) C4'-P energy: -49.830
bonds (distance) P-C4' energy: -53.480
flat angles C4'-P-C4' energy: -62.135
flat angles P-C4'-P energy: -41.721
tors. eta vs tors. theta energy: -85.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -788.689886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.689886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.689886 (E_RNA)
where:
Base-Base interactions energy: -529.833
where: short stacking energy: -229.261
Base-Backbone interact. energy: -1.245
local terms energy: -257.612786
where:
bonds (distance) C4'-P energy: -57.274
bonds (distance) P-C4' energy: -41.447
flat angles C4'-P-C4' energy: -64.124
flat angles P-C4'-P energy: -35.448
tors. eta vs tors. theta energy: -59.319
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: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -830.506823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.506823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.506823 (E_RNA)
where:
Base-Base interactions energy: -561.432
where: short stacking energy: -240.537
Base-Backbone interact. energy: -1.435
local terms energy: -267.640331
where:
bonds (distance) C4'-P energy: -44.868
bonds (distance) P-C4' energy: -57.059
flat angles C4'-P-C4' energy: -48.379
flat angles P-C4'-P energy: -45.740
tors. eta vs tors. theta energy: -71.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -697.773493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.773493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.773493 (E_RNA)
where:
Base-Base interactions energy: -469.082
where: short stacking energy: -209.154
Base-Backbone interact. energy: -1.663
local terms energy: -227.028780
where:
bonds (distance) C4'-P energy: -45.331
bonds (distance) P-C4' energy: -30.773
flat angles C4'-P-C4' energy: -57.839
flat angles P-C4'-P energy: -35.709
tors. eta vs tors. theta energy: -57.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -636.150070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.150070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.150070 (E_RNA)
where:
Base-Base interactions energy: -411.785
where: short stacking energy: -189.977
Base-Backbone interact. energy: -0.555
local terms energy: -223.809294
where:
bonds (distance) C4'-P energy: -44.406
bonds (distance) P-C4' energy: -44.171
flat angles C4'-P-C4' energy: -53.455
flat angles P-C4'-P energy: -32.031
tors. eta vs tors. theta energy: -49.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -492.464005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.464005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.464005 (E_RNA)
where:
Base-Base interactions energy: -295.877
where: short stacking energy: -153.332
Base-Backbone interact. energy: -0.667
local terms energy: -195.920923
where:
bonds (distance) C4'-P energy: -45.234
bonds (distance) P-C4' energy: -50.362
flat angles C4'-P-C4' energy: -46.783
flat angles P-C4'-P energy: -27.287
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -345.647909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.647909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.647909 (E_RNA)
where:
Base-Base interactions energy: -188.312
where: short stacking energy: -97.405
Base-Backbone interact. energy: -1.140
local terms energy: -156.195753
where:
bonds (distance) C4'-P energy: -41.387
bonds (distance) P-C4' energy: -43.747
flat angles C4'-P-C4' energy: -37.930
flat angles P-C4'-P energy: -31.580
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1024.493750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.493750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.493750 (E_RNA)
where:
Base-Base interactions energy: -718.580
where: short stacking energy: -304.389
Base-Backbone interact. energy: 0.899
local terms energy: -306.812298
where:
bonds (distance) C4'-P energy: -53.948
bonds (distance) P-C4' energy: -50.273
flat angles C4'-P-C4' energy: -65.170
flat angles P-C4'-P energy: -46.615
tors. eta vs tors. theta energy: -90.806
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: 302
Temperature: 0.950000
Total energy: -941.605166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.605166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.605166 (E_RNA)
where:
Base-Base interactions energy: -654.665
where: short stacking energy: -278.188
Base-Backbone interact. energy: -2.693
local terms energy: -284.247320
where:
bonds (distance) C4'-P energy: -45.381
bonds (distance) P-C4' energy: -60.613
flat angles C4'-P-C4' energy: -56.645
flat angles P-C4'-P energy: -39.436
tors. eta vs tors. theta energy: -82.173
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: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -953.272040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.272040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.272040 (E_RNA)
where:
Base-Base interactions energy: -663.359
where: short stacking energy: -287.337
Base-Backbone interact. energy: 1.019
local terms energy: -290.932082
where:
bonds (distance) C4'-P energy: -55.940
bonds (distance) P-C4' energy: -54.984
flat angles C4'-P-C4' energy: -55.250
flat angles P-C4'-P energy: -41.056
tors. eta vs tors. theta energy: -83.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -866.130251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.130251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.130251 (E_RNA)
where:
Base-Base interactions energy: -603.054
where: short stacking energy: -279.295
Base-Backbone interact. energy: -0.553
local terms energy: -262.522905
where:
bonds (distance) C4'-P energy: -43.989
bonds (distance) P-C4' energy: -42.782
flat angles C4'-P-C4' energy: -51.219
flat angles P-C4'-P energy: -40.682
tors. eta vs tors. theta energy: -83.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -841.251663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.251663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.251663 (E_RNA)
where:
Base-Base interactions energy: -581.686
where: short stacking energy: -252.603
Base-Backbone interact. energy: 3.619
local terms energy: -263.184383
where:
bonds (distance) C4'-P energy: -34.826
bonds (distance) P-C4' energy: -52.092
flat angles C4'-P-C4' energy: -60.524
flat angles P-C4'-P energy: -33.329
tors. eta vs tors. theta energy: -82.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -756.272767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.272767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.272767 (E_RNA)
where:
Base-Base interactions energy: -510.733
where: short stacking energy: -211.656
Base-Backbone interact. energy: 5.145
local terms energy: -250.685289
where:
bonds (distance) C4'-P energy: -45.721
bonds (distance) P-C4' energy: -59.335
flat angles C4'-P-C4' energy: -55.912
flat angles P-C4'-P energy: -29.774
tors. eta vs tors. theta energy: -59.943
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: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -654.846740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.846740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.846740 (E_RNA)
where:
Base-Base interactions energy: -420.499
where: short stacking energy: -200.462
Base-Backbone interact. energy: -1.260
local terms energy: -233.086995
where:
bonds (distance) C4'-P energy: -48.758
bonds (distance) P-C4' energy: -55.359
flat angles C4'-P-C4' energy: -53.939
flat angles P-C4'-P energy: -31.321
tors. eta vs tors. theta energy: -43.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -635.823129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -635.823129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -635.823129 (E_RNA)
where:
Base-Base interactions energy: -416.164
where: short stacking energy: -211.080
Base-Backbone interact. energy: 5.758
local terms energy: -225.417338
where:
bonds (distance) C4'-P energy: -50.021
bonds (distance) P-C4' energy: -48.045
flat angles C4'-P-C4' energy: -54.249
flat angles P-C4'-P energy: -23.136
tors. eta vs tors. theta energy: -49.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -476.714735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.714735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.714735 (E_RNA)
where:
Base-Base interactions energy: -280.999
where: short stacking energy: -147.577
Base-Backbone interact. energy: -0.136
local terms energy: -195.579219
where:
bonds (distance) C4'-P energy: -56.016
bonds (distance) P-C4' energy: -48.460
flat angles C4'-P-C4' energy: -41.690
flat angles P-C4'-P energy: -24.316
tors. eta vs tors. theta energy: -25.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -344.236733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.236733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.236733 (E_RNA)
where:
Base-Base interactions energy: -169.268
where: short stacking energy: -87.533
Base-Backbone interact. energy: 0.258
local terms energy: -175.226870
where:
bonds (distance) C4'-P energy: -46.348
bonds (distance) P-C4' energy: -53.000
flat angles C4'-P-C4' energy: -42.698
flat angles P-C4'-P energy: -21.106
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1010.875135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.875135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.875135 (E_RNA)
where:
Base-Base interactions energy: -693.078
where: short stacking energy: -305.206
Base-Backbone interact. energy: -1.573
local terms energy: -316.223563
where:
bonds (distance) C4'-P energy: -62.953
bonds (distance) P-C4' energy: -47.697
flat angles C4'-P-C4' energy: -64.232
flat angles P-C4'-P energy: -49.871
tors. eta vs tors. theta energy: -91.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -952.213299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.213299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.213299 (E_RNA)
where:
Base-Base interactions energy: -640.398
where: short stacking energy: -294.112
Base-Backbone interact. energy: 1.321
local terms energy: -313.136430
where:
bonds (distance) C4'-P energy: -53.974
bonds (distance) P-C4' energy: -53.857
flat angles C4'-P-C4' energy: -70.635
flat angles P-C4'-P energy: -47.898
tors. eta vs tors. theta energy: -86.773
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: 7
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -953.397038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.397038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.397038 (E_RNA)
where:
Base-Base interactions energy: -655.091
where: short stacking energy: -280.141
Base-Backbone interact. energy: -1.358
local terms energy: -296.947244
where:
bonds (distance) C4'-P energy: -50.189
bonds (distance) P-C4' energy: -56.316
flat angles C4'-P-C4' energy: -65.879
flat angles P-C4'-P energy: -46.876
tors. eta vs tors. theta energy: -77.688
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: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -854.278719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.278719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.278719 (E_RNA)
where:
Base-Base interactions energy: -568.383
where: short stacking energy: -254.888
Base-Backbone interact. energy: 0.628
local terms energy: -286.522966
where:
bonds (distance) C4'-P energy: -51.515
bonds (distance) P-C4' energy: -45.642
flat angles C4'-P-C4' energy: -64.749
flat angles P-C4'-P energy: -43.926
tors. eta vs tors. theta energy: -80.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -803.019656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.019656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.019656 (E_RNA)
where:
Base-Base interactions energy: -548.769
where: short stacking energy: -241.097
Base-Backbone interact. energy: -0.591
local terms energy: -253.660534
where:
bonds (distance) C4'-P energy: -49.774
bonds (distance) P-C4' energy: -48.853
flat angles C4'-P-C4' energy: -59.481
flat angles P-C4'-P energy: -30.191
tors. eta vs tors. theta energy: -65.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -774.115122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.115122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.115122 (E_RNA)
where:
Base-Base interactions energy: -523.696
where: short stacking energy: -229.563
Base-Backbone interact. energy: -1.212
local terms energy: -249.207110
where:
bonds (distance) C4'-P energy: -49.116
bonds (distance) P-C4' energy: -50.699
flat angles C4'-P-C4' energy: -55.660
flat angles P-C4'-P energy: -27.020
tors. eta vs tors. theta energy: -66.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -664.803724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.803724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.803724 (E_RNA)
where:
Base-Base interactions energy: -442.238
where: short stacking energy: -196.830
Base-Backbone interact. energy: -1.429
local terms energy: -221.136930
where:
bonds (distance) C4'-P energy: -43.710
bonds (distance) P-C4' energy: -48.092
flat angles C4'-P-C4' energy: -44.036
flat angles P-C4'-P energy: -41.461
tors. eta vs tors. theta energy: -43.839
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: 9
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -600.992764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.992764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.992764 (E_RNA)
where:
Base-Base interactions energy: -387.451
where: short stacking energy: -180.630
Base-Backbone interact. energy: -0.537
local terms energy: -213.004802
where:
bonds (distance) C4'-P energy: -39.723
bonds (distance) P-C4' energy: -47.176
flat angles C4'-P-C4' energy: -59.587
flat angles P-C4'-P energy: -32.384
tors. eta vs tors. theta energy: -34.135
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: 9, replica: 6
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -478.654070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.654070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.654070 (E_RNA)
where:
Base-Base interactions energy: -308.974
where: short stacking energy: -146.116
Base-Backbone interact. energy: 1.531
local terms energy: -171.212022
where:
bonds (distance) C4'-P energy: -38.691
bonds (distance) P-C4' energy: -38.465
flat angles C4'-P-C4' energy: -57.905
flat angles P-C4'-P energy: -17.720
tors. eta vs tors. theta energy: -18.431
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: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -337.573478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.573478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.573478 (E_RNA)
where:
Base-Base interactions energy: -175.971
where: short stacking energy: -110.302
Base-Backbone interact. energy: -1.016
local terms energy: -160.586047
where:
bonds (distance) C4'-P energy: -43.205
bonds (distance) P-C4' energy: -36.023
flat angles C4'-P-C4' energy: -53.585
flat angles P-C4'-P energy: -16.886
tors. eta vs tors. theta energy: -10.886
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: 1, replica: 4
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1029.937803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.937803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.937803 (E_RNA)
where:
Base-Base interactions energy: -712.565
where: short stacking energy: -304.064
Base-Backbone interact. energy: -0.866
local terms energy: -316.506993
where:
bonds (distance) C4'-P energy: -55.280
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -72.459
flat angles P-C4'-P energy: -42.659
tors. eta vs tors. theta energy: -95.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -945.147543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.147543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.147543 (E_RNA)
where:
Base-Base interactions energy: -641.027
where: short stacking energy: -272.580
Base-Backbone interact. energy: -1.527
local terms energy: -302.593647
where:
bonds (distance) C4'-P energy: -56.453
bonds (distance) P-C4' energy: -59.504
flat angles C4'-P-C4' energy: -62.720
flat angles P-C4'-P energy: -38.761
tors. eta vs tors. theta energy: -85.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -978.445906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.445906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.445906 (E_RNA)
where:
Base-Base interactions energy: -679.658
where: short stacking energy: -285.159
Base-Backbone interact. energy: -2.519
local terms energy: -296.268494
where:
bonds (distance) C4'-P energy: -50.659
bonds (distance) P-C4' energy: -55.647
flat angles C4'-P-C4' energy: -59.879
flat angles P-C4'-P energy: -43.019
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: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -860.232600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.232600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.232600 (E_RNA)
where:
Base-Base interactions energy: -581.884
where: short stacking energy: -252.321
Base-Backbone interact. energy: -1.039
local terms energy: -277.309179
where:
bonds (distance) C4'-P energy: -55.715
bonds (distance) P-C4' energy: -47.195
flat angles C4'-P-C4' energy: -60.741
flat angles P-C4'-P energy: -38.011
tors. eta vs tors. theta energy: -75.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -833.750226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.750226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.750226 (E_RNA)
where:
Base-Base interactions energy: -565.260
where: short stacking energy: -248.639
Base-Backbone interact. energy: -0.186
local terms energy: -268.304380
where:
bonds (distance) C4'-P energy: -47.953
bonds (distance) P-C4' energy: -47.468
flat angles C4'-P-C4' energy: -64.011
flat angles P-C4'-P energy: -37.949
tors. eta vs tors. theta energy: -70.925
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: 304
Temperature: 1.150000
Total energy: -751.944128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.944128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.944128 (E_RNA)
where:
Base-Base interactions energy: -503.006
where: short stacking energy: -234.316
Base-Backbone interact. energy: -1.013
local terms energy: -247.925579
where:
bonds (distance) C4'-P energy: -42.172
bonds (distance) P-C4' energy: -45.641
flat angles C4'-P-C4' energy: -57.130
flat angles P-C4'-P energy: -34.897
tors. eta vs tors. theta energy: -68.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -690.699283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.699283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.699283 (E_RNA)
where:
Base-Base interactions energy: -444.118
where: short stacking energy: -213.840
Base-Backbone interact. energy: -0.385
local terms energy: -246.196409
where:
bonds (distance) C4'-P energy: -46.918
bonds (distance) P-C4' energy: -46.240
flat angles C4'-P-C4' energy: -55.238
flat angles P-C4'-P energy: -36.772
tors. eta vs tors. theta energy: -61.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -599.841769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.841769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.841769 (E_RNA)
where:
Base-Base interactions energy: -398.222
where: short stacking energy: -169.687
Base-Backbone interact. energy: 4.441
local terms energy: -206.061645
where:
bonds (distance) C4'-P energy: -50.381
bonds (distance) P-C4' energy: -46.406
flat angles C4'-P-C4' energy: -44.739
flat angles P-C4'-P energy: -34.590
tors. eta vs tors. theta energy: -29.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -487.466323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.466323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.466323 (E_RNA)
where:
Base-Base interactions energy: -294.000
where: short stacking energy: -140.701
Base-Backbone interact. energy: 1.414
local terms energy: -194.879829
where:
bonds (distance) C4'-P energy: -54.778
bonds (distance) P-C4' energy: -45.862
flat angles C4'-P-C4' energy: -53.321
flat angles P-C4'-P energy: -18.242
tors. eta vs tors. theta energy: -22.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -330.624541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.624541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.624541 (E_RNA)
where:
Base-Base interactions energy: -157.799
where: short stacking energy: -97.391
Base-Backbone interact. energy: -0.770
local terms energy: -172.054969
where:
bonds (distance) C4'-P energy: -41.365
bonds (distance) P-C4' energy: -56.202
flat angles C4'-P-C4' energy: -47.086
flat angles P-C4'-P energy: -22.937
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -1037.233518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.233518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.233518 (E_RNA)
where:
Base-Base interactions energy: -719.057
where: short stacking energy: -291.698
Base-Backbone interact. energy: -3.423
local terms energy: -314.753820
where:
bonds (distance) C4'-P energy: -52.694
bonds (distance) P-C4' energy: -56.152
flat angles C4'-P-C4' energy: -62.807
flat angles P-C4'-P energy: -50.290
tors. eta vs tors. theta energy: -92.810
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: 7
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -991.341614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.341614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.341614 (E_RNA)
where:
Base-Base interactions energy: -704.439
where: short stacking energy: -298.765
Base-Backbone interact. energy: 1.121
local terms energy: -288.023124
where:
bonds (distance) C4'-P energy: -52.619
bonds (distance) P-C4' energy: -57.627
flat angles C4'-P-C4' energy: -59.611
flat angles P-C4'-P energy: -34.125
tors. eta vs tors. theta energy: -84.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -923.458730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.458730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.458730 (E_RNA)
where:
Base-Base interactions energy: -636.005
where: short stacking energy: -279.379
Base-Backbone interact. energy: 2.336
local terms energy: -289.789333
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -52.419
flat angles C4'-P-C4' energy: -59.064
flat angles P-C4'-P energy: -37.171
tors. eta vs tors. theta energy: -86.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -861.921220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.921220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.921220 (E_RNA)
where:
Base-Base interactions energy: -599.418
where: short stacking energy: -264.310
Base-Backbone interact. energy: -1.251
local terms energy: -261.252248
where:
bonds (distance) C4'-P energy: -42.456
bonds (distance) P-C4' energy: -49.687
flat angles C4'-P-C4' energy: -57.709
flat angles P-C4'-P energy: -40.527
tors. eta vs tors. theta energy: -70.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -819.682169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.682169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.682169 (E_RNA)
where:
Base-Base interactions energy: -557.378
where: short stacking energy: -241.266
Base-Backbone interact. energy: -2.825
local terms energy: -259.479315
where:
bonds (distance) C4'-P energy: -44.922
bonds (distance) P-C4' energy: -52.118
flat angles C4'-P-C4' energy: -54.249
flat angles P-C4'-P energy: -41.665
tors. eta vs tors. theta energy: -66.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -773.261065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.261065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.261065 (E_RNA)
where:
Base-Base interactions energy: -524.348
where: short stacking energy: -238.151
Base-Backbone interact. energy: -0.970
local terms energy: -247.943591
where:
bonds (distance) C4'-P energy: -48.122
bonds (distance) P-C4' energy: -43.397
flat angles C4'-P-C4' energy: -54.643
flat angles P-C4'-P energy: -30.867
tors. eta vs tors. theta energy: -70.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -686.256647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.256647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.256647 (E_RNA)
where:
Base-Base interactions energy: -451.035
where: short stacking energy: -212.224
Base-Backbone interact. energy: -1.336
local terms energy: -233.885570
where:
bonds (distance) C4'-P energy: -46.142
bonds (distance) P-C4' energy: -46.505
flat angles C4'-P-C4' energy: -54.347
flat angles P-C4'-P energy: -36.762
tors. eta vs tors. theta energy: -50.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -617.316090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.316090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.316090 (E_RNA)
where:
Base-Base interactions energy: -382.684
where: short stacking energy: -169.264
Base-Backbone interact. energy: -0.734
local terms energy: -233.898334
where:
bonds (distance) C4'-P energy: -51.786
bonds (distance) P-C4' energy: -49.097
flat angles C4'-P-C4' energy: -52.436
flat angles P-C4'-P energy: -38.979
tors. eta vs tors. theta energy: -41.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -467.826845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.826845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.826845 (E_RNA)
where:
Base-Base interactions energy: -266.426
where: short stacking energy: -119.108
Base-Backbone interact. energy: -0.659
local terms energy: -200.741776
where:
bonds (distance) C4'-P energy: -49.423
bonds (distance) P-C4' energy: -50.159
flat angles C4'-P-C4' energy: -49.526
flat angles P-C4'-P energy: -37.308
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -336.489055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.489055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.489055 (E_RNA)
where:
Base-Base interactions energy: -176.161
where: short stacking energy: -93.597
Base-Backbone interact. energy: 1.452
local terms energy: -161.780352
where:
bonds (distance) C4'-P energy: -46.683
bonds (distance) P-C4' energy: -44.567
flat angles C4'-P-C4' energy: -39.223
flat angles P-C4'-P energy: -25.392
tors. eta vs tors. theta energy: -5.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1028.124395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.124395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.124395 (E_RNA)
where:
Base-Base interactions energy: -708.746
where: short stacking energy: -293.739
Base-Backbone interact. energy: -2.757
local terms energy: -316.621173
where:
bonds (distance) C4'-P energy: -57.386
bonds (distance) P-C4' energy: -56.027
flat angles C4'-P-C4' energy: -67.016
flat angles P-C4'-P energy: -43.333
tors. eta vs tors. theta energy: -92.859
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: 7
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -978.028157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.028157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.028157 (E_RNA)
where:
Base-Base interactions energy: -679.422
where: short stacking energy: -288.591
Base-Backbone interact. energy: -0.172
local terms energy: -298.433478
where:
bonds (distance) C4'-P energy: -42.031
bonds (distance) P-C4' energy: -58.821
flat angles C4'-P-C4' energy: -68.380
flat angles P-C4'-P energy: -42.444
tors. eta vs tors. theta energy: -86.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -901.033213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.033213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.033213 (E_RNA)
where:
Base-Base interactions energy: -620.871
where: short stacking energy: -268.569
Base-Backbone interact. energy: 0.233
local terms energy: -280.395413
where:
bonds (distance) C4'-P energy: -51.856
bonds (distance) P-C4' energy: -54.398
flat angles C4'-P-C4' energy: -58.571
flat angles P-C4'-P energy: -33.304
tors. eta vs tors. theta energy: -82.265
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: 5
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -860.136939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.136939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.136939 (E_RNA)
where:
Base-Base interactions energy: -595.650
where: short stacking energy: -265.626
Base-Backbone interact. energy: -0.127
local terms energy: -264.360107
where:
bonds (distance) C4'-P energy: -46.981
bonds (distance) P-C4' energy: -50.919
flat angles C4'-P-C4' energy: -56.811
flat angles P-C4'-P energy: -30.438
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: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -862.376581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.376581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.376581 (E_RNA)
where:
Base-Base interactions energy: -610.358
where: short stacking energy: -267.150
Base-Backbone interact. energy: -1.498
local terms energy: -250.520949
where:
bonds (distance) C4'-P energy: -51.533
bonds (distance) P-C4' energy: -46.811
flat angles C4'-P-C4' energy: -59.542
flat angles P-C4'-P energy: -21.896
tors. eta vs tors. theta energy: -70.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -755.084544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.084544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.084544 (E_RNA)
where:
Base-Base interactions energy: -507.678
where: short stacking energy: -228.699
Base-Backbone interact. energy: -0.805
local terms energy: -246.600903
where:
bonds (distance) C4'-P energy: -42.517
bonds (distance) P-C4' energy: -45.939
flat angles C4'-P-C4' energy: -53.934
flat angles P-C4'-P energy: -31.991
tors. eta vs tors. theta energy: -72.220
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: 10
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -681.840424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.840424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.840424 (E_RNA)
where:
Base-Base interactions energy: -439.378
where: short stacking energy: -208.708
Base-Backbone interact. energy: -0.148
local terms energy: -242.314419
where:
bonds (distance) C4'-P energy: -38.052
bonds (distance) P-C4' energy: -42.538
flat angles C4'-P-C4' energy: -55.426
flat angles P-C4'-P energy: -39.285
tors. eta vs tors. theta energy: -67.014
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: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -595.164969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -595.164969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -595.164969 (E_RNA)
where:
Base-Base interactions energy: -377.193
where: short stacking energy: -174.084
Base-Backbone interact. energy: -1.727
local terms energy: -216.245311
where:
bonds (distance) C4'-P energy: -40.261
bonds (distance) P-C4' energy: -51.913
flat angles C4'-P-C4' energy: -49.770
flat angles P-C4'-P energy: -31.425
tors. eta vs tors. theta energy: -42.876
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: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -456.896785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.896785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.896785 (E_RNA)
where:
Base-Base interactions energy: -261.588
where: short stacking energy: -135.323
Base-Backbone interact. energy: -1.091
local terms energy: -194.217685
where:
bonds (distance) C4'-P energy: -37.565
bonds (distance) P-C4' energy: -53.623
flat angles C4'-P-C4' energy: -47.647
flat angles P-C4'-P energy: -30.382
tors. eta vs tors. theta energy: -25.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -359.244387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.244387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.244387 (E_RNA)
where:
Base-Base interactions energy: -188.243
where: short stacking energy: -114.330
Base-Backbone interact. energy: -0.974
local terms energy: -170.027825
where:
bonds (distance) C4'-P energy: -44.160
bonds (distance) P-C4' energy: -47.520
flat angles C4'-P-C4' energy: -40.263
flat angles P-C4'-P energy: -24.692
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1022.476988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.476988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.476988 (E_RNA)
where:
Base-Base interactions energy: -694.071
where: short stacking energy: -297.250
Base-Backbone interact. energy: -1.969
local terms energy: -326.436914
where:
bonds (distance) C4'-P energy: -62.743
bonds (distance) P-C4' energy: -60.825
flat angles C4'-P-C4' energy: -63.465
flat angles P-C4'-P energy: -45.077
tors. eta vs tors. theta energy: -94.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1011.883309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.883309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.883309 (E_RNA)
where:
Base-Base interactions energy: -708.019
where: short stacking energy: -301.799
Base-Backbone interact. energy: -0.693
local terms energy: -303.171823
where:
bonds (distance) C4'-P energy: -48.346
bonds (distance) P-C4' energy: -53.750
flat angles C4'-P-C4' energy: -65.245
flat angles P-C4'-P energy: -48.085
tors. eta vs tors. theta energy: -87.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -882.317550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.317550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.317550 (E_RNA)
where:
Base-Base interactions energy: -590.389
where: short stacking energy: -267.542
Base-Backbone interact. energy: -1.031
local terms energy: -290.898245
where:
bonds (distance) C4'-P energy: -46.773
bonds (distance) P-C4' energy: -50.225
flat angles C4'-P-C4' energy: -69.876
flat angles P-C4'-P energy: -45.091
tors. eta vs tors. theta energy: -78.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -859.494602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.494602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.494602 (E_RNA)
where:
Base-Base interactions energy: -583.613
where: short stacking energy: -252.005
Base-Backbone interact. energy: -0.456
local terms energy: -275.425694
where:
bonds (distance) C4'-P energy: -56.332
bonds (distance) P-C4' energy: -46.471
flat angles C4'-P-C4' energy: -57.201
flat angles P-C4'-P energy: -41.936
tors. eta vs tors. theta energy: -73.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -848.339342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.339342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.339342 (E_RNA)
where:
Base-Base interactions energy: -579.167
where: short stacking energy: -254.181
Base-Backbone interact. energy: -1.746
local terms energy: -267.426144
where:
bonds (distance) C4'-P energy: -59.568
bonds (distance) P-C4' energy: -57.317
flat angles C4'-P-C4' energy: -56.928
flat angles P-C4'-P energy: -27.189
tors. eta vs tors. theta energy: -66.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -758.729407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.729407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.729407 (E_RNA)
where:
Base-Base interactions energy: -505.017
where: short stacking energy: -225.265
Base-Backbone interact. energy: -1.497
local terms energy: -252.214952
where:
bonds (distance) C4'-P energy: -61.646
bonds (distance) P-C4' energy: -45.879
flat angles C4'-P-C4' energy: -51.446
flat angles P-C4'-P energy: -34.106
tors. eta vs tors. theta energy: -59.138
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: 10
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -667.855324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.855324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.855324 (E_RNA)
where:
Base-Base interactions energy: -439.694
where: short stacking energy: -197.912
Base-Backbone interact. energy: -0.665
local terms energy: -227.496103
where:
bonds (distance) C4'-P energy: -41.751
bonds (distance) P-C4' energy: -52.184
flat angles C4'-P-C4' energy: -47.694
flat angles P-C4'-P energy: -38.498
tors. eta vs tors. theta energy: -47.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -599.440862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.440862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.440862 (E_RNA)
where:
Base-Base interactions energy: -386.342
where: short stacking energy: -189.454
Base-Backbone interact. energy: -0.989
local terms energy: -212.110023
where:
bonds (distance) C4'-P energy: -45.680
bonds (distance) P-C4' energy: -47.788
flat angles C4'-P-C4' energy: -48.705
flat angles P-C4'-P energy: -24.507
tors. eta vs tors. theta energy: -45.430
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: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -458.705384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.705384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.705384 (E_RNA)
where:
Base-Base interactions energy: -257.094
where: short stacking energy: -135.858
Base-Backbone interact. energy: -0.699
local terms energy: -200.912365
where:
bonds (distance) C4'-P energy: -43.480
bonds (distance) P-C4' energy: -54.772
flat angles C4'-P-C4' energy: -49.238
flat angles P-C4'-P energy: -31.260
tors. eta vs tors. theta energy: -22.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -360.413093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.413093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.413093 (E_RNA)
where:
Base-Base interactions energy: -202.855
where: short stacking energy: -100.222
Base-Backbone interact. energy: -3.722
local terms energy: -153.836287
where:
bonds (distance) C4'-P energy: -37.053
bonds (distance) P-C4' energy: -54.196
flat angles C4'-P-C4' energy: -30.159
flat angles P-C4'-P energy: -31.451
tors. eta vs tors. theta energy: -0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1018.286298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.286298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.286298 (E_RNA)
where:
Base-Base interactions energy: -715.917
where: short stacking energy: -296.468
Base-Backbone interact. energy: -0.370
local terms energy: -301.998912
where:
bonds (distance) C4'-P energy: -51.431
bonds (distance) P-C4' energy: -56.953
flat angles C4'-P-C4' energy: -60.956
flat angles P-C4'-P energy: -40.297
tors. eta vs tors. theta energy: -92.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1006.206659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.206659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.206659 (E_RNA)
where:
Base-Base interactions energy: -708.895
where: short stacking energy: -312.436
Base-Backbone interact. energy: -1.894
local terms energy: -295.417810
where:
bonds (distance) C4'-P energy: -48.680
bonds (distance) P-C4' energy: -45.295
flat angles C4'-P-C4' energy: -65.842
flat angles P-C4'-P energy: -34.626
tors. eta vs tors. theta energy: -100.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -891.115841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.115841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.115841 (E_RNA)
where:
Base-Base interactions energy: -599.857
where: short stacking energy: -271.016
Base-Backbone interact. energy: 1.163
local terms energy: -292.421140
where:
bonds (distance) C4'-P energy: -52.792
bonds (distance) P-C4' energy: -50.003
flat angles C4'-P-C4' energy: -61.428
flat angles P-C4'-P energy: -43.034
tors. eta vs tors. theta energy: -85.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -874.973131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.973131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.973131 (E_RNA)
where:
Base-Base interactions energy: -597.069
where: short stacking energy: -259.560
Base-Backbone interact. energy: -1.508
local terms energy: -276.396662
where:
bonds (distance) C4'-P energy: -54.687
bonds (distance) P-C4' energy: -41.585
flat angles C4'-P-C4' energy: -57.293
flat angles P-C4'-P energy: -42.691
tors. eta vs tors. theta energy: -80.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -829.689994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.689994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.689994 (E_RNA)
where:
Base-Base interactions energy: -555.894
where: short stacking energy: -256.271
Base-Backbone interact. energy: -0.809
local terms energy: -272.987190
where:
bonds (distance) C4'-P energy: -42.414
bonds (distance) P-C4' energy: -53.923
flat angles C4'-P-C4' energy: -51.246
flat angles P-C4'-P energy: -45.960
tors. eta vs tors. theta energy: -79.444
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: 308
Temperature: 1.150000
Total energy: -759.384133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.384133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.384133 (E_RNA)
where:
Base-Base interactions energy: -513.680
where: short stacking energy: -229.394
Base-Backbone interact. energy: 0.744
local terms energy: -246.448017
where:
bonds (distance) C4'-P energy: -33.121
bonds (distance) P-C4' energy: -50.012
flat angles C4'-P-C4' energy: -51.132
flat angles P-C4'-P energy: -39.390
tors. eta vs tors. theta energy: -72.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -675.066267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.066267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.066267 (E_RNA)
where:
Base-Base interactions energy: -450.696
where: short stacking energy: -193.123
Base-Backbone interact. energy: -0.657
local terms energy: -223.713045
where:
bonds (distance) C4'-P energy: -43.994
bonds (distance) P-C4' energy: -57.566
flat angles C4'-P-C4' energy: -48.662
flat angles P-C4'-P energy: -24.904
tors. eta vs tors. theta energy: -48.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -575.661125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.661125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.661125 (E_RNA)
where:
Base-Base interactions energy: -354.553
where: short stacking energy: -150.168
Base-Backbone interact. energy: -1.714
local terms energy: -219.394311
where:
bonds (distance) C4'-P energy: -50.334
bonds (distance) P-C4' energy: -60.620
flat angles C4'-P-C4' energy: -47.347
flat angles P-C4'-P energy: -31.058
tors. eta vs tors. theta energy: -30.035
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: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -460.263141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.263141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.263141 (E_RNA)
where:
Base-Base interactions energy: -264.261
where: short stacking energy: -113.656
Base-Backbone interact. energy: -1.795
local terms energy: -194.206625
where:
bonds (distance) C4'-P energy: -41.143
bonds (distance) P-C4' energy: -49.442
flat angles C4'-P-C4' energy: -53.235
flat angles P-C4'-P energy: -30.473
tors. eta vs tors. theta energy: -19.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -349.532549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.532549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.532549 (E_RNA)
where:
Base-Base interactions energy: -185.766
where: short stacking energy: -111.325
Base-Backbone interact. energy: -2.442
local terms energy: -161.323930
where:
bonds (distance) C4'-P energy: -43.575
bonds (distance) P-C4' energy: -41.841
flat angles C4'-P-C4' energy: -37.780
flat angles P-C4'-P energy: -25.496
tors. eta vs tors. theta energy: -12.631
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: 309
Temperature: 0.900000
Total energy: -1040.387336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.387336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.387336 (E_RNA)
where:
Base-Base interactions energy: -721.337
where: short stacking energy: -312.113
Base-Backbone interact. energy: -1.593
local terms energy: -317.457095
where:
bonds (distance) C4'-P energy: -58.748
bonds (distance) P-C4' energy: -54.665
flat angles C4'-P-C4' energy: -65.723
flat angles P-C4'-P energy: -44.251
tors. eta vs tors. theta energy: -94.070
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: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1001.737222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.737222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.737222 (E_RNA)
where:
Base-Base interactions energy: -692.878
where: short stacking energy: -297.754
Base-Backbone interact. energy: -0.743
local terms energy: -308.115787
where:
bonds (distance) C4'-P energy: -56.240
bonds (distance) P-C4' energy: -53.081
flat angles C4'-P-C4' energy: -62.496
flat angles P-C4'-P energy: -48.532
tors. eta vs tors. theta energy: -87.767
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: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -916.735144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.735144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.735144 (E_RNA)
where:
Base-Base interactions energy: -615.138
where: short stacking energy: -271.677
Base-Backbone interact. energy: 0.152
local terms energy: -301.749466
where:
bonds (distance) C4'-P energy: -51.517
bonds (distance) P-C4' energy: -62.115
flat angles C4'-P-C4' energy: -58.134
flat angles P-C4'-P energy: -49.942
tors. eta vs tors. theta energy: -80.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -877.200144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.200144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.200144 (E_RNA)
where:
Base-Base interactions energy: -592.512
where: short stacking energy: -272.265
Base-Backbone interact. energy: -1.115
local terms energy: -283.573426
where:
bonds (distance) C4'-P energy: -55.676
bonds (distance) P-C4' energy: -55.844
flat angles C4'-P-C4' energy: -59.645
flat angles P-C4'-P energy: -35.659
tors. eta vs tors. theta energy: -76.750
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: 2
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -825.761735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.761735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.761735 (E_RNA)
where:
Base-Base interactions energy: -561.280
where: short stacking energy: -241.196
Base-Backbone interact. energy: -1.088
local terms energy: -263.393461
where:
bonds (distance) C4'-P energy: -53.379
bonds (distance) P-C4' energy: -55.519
flat angles C4'-P-C4' energy: -53.047
flat angles P-C4'-P energy: -32.341
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: 6, replica: 1
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -772.974507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.974507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.974507 (E_RNA)
where:
Base-Base interactions energy: -518.953
where: short stacking energy: -234.189
Base-Backbone interact. energy: 0.250
local terms energy: -254.271647
where:
bonds (distance) C4'-P energy: -46.944
bonds (distance) P-C4' energy: -43.482
flat angles C4'-P-C4' energy: -57.208
flat angles P-C4'-P energy: -39.308
tors. eta vs tors. theta energy: -67.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -672.508518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.508518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.508518 (E_RNA)
where:
Base-Base interactions energy: -455.913
where: short stacking energy: -200.365
Base-Backbone interact. energy: -1.053
local terms energy: -215.542913
where:
bonds (distance) C4'-P energy: -40.788
bonds (distance) P-C4' energy: -45.750
flat angles C4'-P-C4' energy: -48.773
flat angles P-C4'-P energy: -33.271
tors. eta vs tors. theta energy: -46.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -547.885610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.885610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.885610 (E_RNA)
where:
Base-Base interactions energy: -347.389
where: short stacking energy: -157.135
Base-Backbone interact. energy: -1.677
local terms energy: -198.819505
where:
bonds (distance) C4'-P energy: -50.373
bonds (distance) P-C4' energy: -42.017
flat angles C4'-P-C4' energy: -49.731
flat angles P-C4'-P energy: -29.450
tors. eta vs tors. theta energy: -27.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -462.475633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -462.475633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -462.475633 (E_RNA)
where:
Base-Base interactions energy: -264.763
where: short stacking energy: -130.497
Base-Backbone interact. energy: -1.431
local terms energy: -196.281268
where:
bonds (distance) C4'-P energy: -52.263
bonds (distance) P-C4' energy: -38.143
flat angles C4'-P-C4' energy: -46.859
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -25.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -341.553539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.553539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.553539 (E_RNA)
where:
Base-Base interactions energy: -175.269
where: short stacking energy: -88.056
Base-Backbone interact. energy: 3.018
local terms energy: -169.302565
where:
bonds (distance) C4'-P energy: -45.839
bonds (distance) P-C4' energy: -48.776
flat angles C4'-P-C4' energy: -47.082
flat angles P-C4'-P energy: -27.996
tors. eta vs tors. theta energy: 0.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1041.021748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.021748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.021748 (E_RNA)
where:
Base-Base interactions energy: -731.140
where: short stacking energy: -298.770
Base-Backbone interact. energy: -1.592
local terms energy: -308.289744
where:
bonds (distance) C4'-P energy: -56.466
bonds (distance) P-C4' energy: -52.133
flat angles C4'-P-C4' energy: -62.623
flat angles P-C4'-P energy: -45.697
tors. eta vs tors. theta energy: -91.371
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: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1003.872276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.872276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.872276 (E_RNA)
where:
Base-Base interactions energy: -691.600
where: short stacking energy: -298.785
Base-Backbone interact. energy: -0.563
local terms energy: -311.709682
where:
bonds (distance) C4'-P energy: -53.972
bonds (distance) P-C4' energy: -60.935
flat angles C4'-P-C4' energy: -62.015
flat angles P-C4'-P energy: -45.845
tors. eta vs tors. theta energy: -88.942
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: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -950.713578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.713578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.713578 (E_RNA)
where:
Base-Base interactions energy: -650.314
where: short stacking energy: -286.321
Base-Backbone interact. energy: -0.761
local terms energy: -299.638585
where:
bonds (distance) C4'-P energy: -54.386
bonds (distance) P-C4' energy: -52.695
flat angles C4'-P-C4' energy: -63.253
flat angles P-C4'-P energy: -44.284
tors. eta vs tors. theta energy: -85.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -893.658144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.658144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.658144 (E_RNA)
where:
Base-Base interactions energy: -611.191
where: short stacking energy: -277.293
Base-Backbone interact. energy: -0.736
local terms energy: -281.731464
where:
bonds (distance) C4'-P energy: -56.291
bonds (distance) P-C4' energy: -46.426
flat angles C4'-P-C4' energy: -59.585
flat angles P-C4'-P energy: -35.723
tors. eta vs tors. theta energy: -83.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -803.379598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.379598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.379598 (E_RNA)
where:
Base-Base interactions energy: -539.652
where: short stacking energy: -243.242
Base-Backbone interact. energy: -0.227
local terms energy: -263.500681
where:
bonds (distance) C4'-P energy: -49.459
bonds (distance) P-C4' energy: -58.260
flat angles C4'-P-C4' energy: -56.928
flat angles P-C4'-P energy: -34.869
tors. eta vs tors. theta energy: -63.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -790.986845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.986845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.986845 (E_RNA)
where:
Base-Base interactions energy: -534.027
where: short stacking energy: -225.814
Base-Backbone interact. energy: -2.810
local terms energy: -254.150071
where:
bonds (distance) C4'-P energy: -50.036
bonds (distance) P-C4' energy: -58.676
flat angles C4'-P-C4' energy: -58.506
flat angles P-C4'-P energy: -26.346
tors. eta vs tors. theta energy: -60.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -725.347050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.347050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.347050 (E_RNA)
where:
Base-Base interactions energy: -475.833
where: short stacking energy: -212.959
Base-Backbone interact. energy: -1.500
local terms energy: -248.014174
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -56.399
flat angles C4'-P-C4' energy: -51.910
flat angles P-C4'-P energy: -37.205
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: 8, replica: 9
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -616.959428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -616.959428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -616.959428 (E_RNA)
where:
Base-Base interactions energy: -411.743
where: short stacking energy: -188.934
Base-Backbone interact. energy: -0.931
local terms energy: -204.285742
where:
bonds (distance) C4'-P energy: -47.053
bonds (distance) P-C4' energy: -52.369
flat angles C4'-P-C4' energy: -31.698
flat angles P-C4'-P energy: -27.776
tors. eta vs tors. theta energy: -45.390
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: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -442.635147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.635147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.635147 (E_RNA)
where:
Base-Base interactions energy: -257.530
where: short stacking energy: -150.424
Base-Backbone interact. energy: -1.307
local terms energy: -183.797508
where:
bonds (distance) C4'-P energy: -43.986
bonds (distance) P-C4' energy: -45.517
flat angles C4'-P-C4' energy: -41.327
flat angles P-C4'-P energy: -23.655
tors. eta vs tors. theta energy: -29.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -342.767648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.767648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.767648 (E_RNA)
where:
Base-Base interactions energy: -161.184
where: short stacking energy: -83.360
Base-Backbone interact. energy: 0.134
local terms energy: -181.718260
where:
bonds (distance) C4'-P energy: -52.892
bonds (distance) P-C4' energy: -52.266
flat angles C4'-P-C4' energy: -38.643
flat angles P-C4'-P energy: -30.433
tors. eta vs tors. theta energy: -7.484
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: 7
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1036.010402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.010402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.010402 (E_RNA)
where:
Base-Base interactions energy: -727.808
where: short stacking energy: -309.314
Base-Backbone interact. energy: -2.102
local terms energy: -306.099822
where:
bonds (distance) C4'-P energy: -51.692
bonds (distance) P-C4' energy: -55.411
flat angles C4'-P-C4' energy: -65.762
flat angles P-C4'-P energy: -42.607
tors. eta vs tors. theta energy: -90.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -996.531785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.531785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.531785 (E_RNA)
where:
Base-Base interactions energy: -706.600
where: short stacking energy: -309.982
Base-Backbone interact. energy: -1.011
local terms energy: -288.920488
where:
bonds (distance) C4'-P energy: -39.914
bonds (distance) P-C4' energy: -53.287
flat angles C4'-P-C4' energy: -67.964
flat angles P-C4'-P energy: -32.515
tors. eta vs tors. theta energy: -95.240
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: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -914.230605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.230605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.230605 (E_RNA)
where:
Base-Base interactions energy: -616.984
where: short stacking energy: -266.939
Base-Backbone interact. energy: -0.981
local terms energy: -296.265525
where:
bonds (distance) C4'-P energy: -51.299
bonds (distance) P-C4' energy: -54.228
flat angles C4'-P-C4' energy: -66.446
flat angles P-C4'-P energy: -46.913
tors. eta vs tors. theta energy: -77.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -807.387113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.387113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.387113 (E_RNA)
where:
Base-Base interactions energy: -540.384
where: short stacking energy: -258.069
Base-Backbone interact. energy: 0.550
local terms energy: -267.553039
where:
bonds (distance) C4'-P energy: -42.721
bonds (distance) P-C4' energy: -55.737
flat angles C4'-P-C4' energy: -61.919
flat angles P-C4'-P energy: -36.570
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: 5, replica: 5
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -824.314385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.314385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.314385 (E_RNA)
where:
Base-Base interactions energy: -569.161
where: short stacking energy: -242.230
Base-Backbone interact. energy: 0.499
local terms energy: -255.652755
where:
bonds (distance) C4'-P energy: -52.894
bonds (distance) P-C4' energy: -47.074
flat angles C4'-P-C4' energy: -53.132
flat angles P-C4'-P energy: -33.939
tors. eta vs tors. theta energy: -68.614
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: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -734.815462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.815462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.815462 (E_RNA)
where:
Base-Base interactions energy: -487.671
where: short stacking energy: -202.981
Base-Backbone interact. energy: -0.997
local terms energy: -246.147222
where:
bonds (distance) C4'-P energy: -47.628
bonds (distance) P-C4' energy: -53.319
flat angles C4'-P-C4' energy: -51.397
flat angles P-C4'-P energy: -40.791
tors. eta vs tors. theta energy: -53.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -755.104011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.104011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.104011 (E_RNA)
where:
Base-Base interactions energy: -514.628
where: short stacking energy: -233.148
Base-Backbone interact. energy: -3.461
local terms energy: -237.014990
where:
bonds (distance) C4'-P energy: -45.470
bonds (distance) P-C4' energy: -54.580
flat angles C4'-P-C4' energy: -59.676
flat angles P-C4'-P energy: -22.512
tors. eta vs tors. theta energy: -54.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -597.319809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.319809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.319809 (E_RNA)
where:
Base-Base interactions energy: -382.685
where: short stacking energy: -181.044
Base-Backbone interact. energy: -0.786
local terms energy: -213.849327
where:
bonds (distance) C4'-P energy: -47.771
bonds (distance) P-C4' energy: -51.966
flat angles C4'-P-C4' energy: -45.256
flat angles P-C4'-P energy: -27.459
tors. eta vs tors. theta energy: -41.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -470.421633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.421633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.421633 (E_RNA)
where:
Base-Base interactions energy: -286.490
where: short stacking energy: -145.433
Base-Backbone interact. energy: 0.385
local terms energy: -184.316623
where:
bonds (distance) C4'-P energy: -37.538
bonds (distance) P-C4' energy: -49.161
flat angles C4'-P-C4' energy: -47.029
flat angles P-C4'-P energy: -31.866
tors. eta vs tors. theta energy: -18.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -389.878170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.878170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.878170 (E_RNA)
where:
Base-Base interactions energy: -213.812
where: short stacking energy: -126.832
Base-Backbone interact. energy: -1.766
local terms energy: -174.300785
where:
bonds (distance) C4'-P energy: -41.703
bonds (distance) P-C4' energy: -47.862
flat angles C4'-P-C4' energy: -46.773
flat angles P-C4'-P energy: -22.627
tors. eta vs tors. theta energy: -15.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1035.220038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.220038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.220038 (E_RNA)
where:
Base-Base interactions energy: -715.160
where: short stacking energy: -289.430
Base-Backbone interact. energy: -1.587
local terms energy: -318.473082
where:
bonds (distance) C4'-P energy: -51.707
bonds (distance) P-C4' energy: -63.802
flat angles C4'-P-C4' energy: -61.566
flat angles P-C4'-P energy: -45.292
tors. eta vs tors. theta energy: -96.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1001.498270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.498270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.498270 (E_RNA)
where:
Base-Base interactions energy: -695.595
where: short stacking energy: -279.131
Base-Backbone interact. energy: -1.793
local terms energy: -304.110619
where:
bonds (distance) C4'-P energy: -55.031
bonds (distance) P-C4' energy: -54.316
flat angles C4'-P-C4' energy: -61.110
flat angles P-C4'-P energy: -46.505
tors. eta vs tors. theta energy: -87.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -920.683623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.683623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.683623 (E_RNA)
where:
Base-Base interactions energy: -617.279
where: short stacking energy: -276.424
Base-Backbone interact. energy: -0.483
local terms energy: -302.921665
where:
bonds (distance) C4'-P energy: -58.669
bonds (distance) P-C4' energy: -54.706
flat angles C4'-P-C4' energy: -64.384
flat angles P-C4'-P energy: -42.776
tors. eta vs tors. theta energy: -82.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -787.133909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.133909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.133909 (E_RNA)
where:
Base-Base interactions energy: -526.801
where: short stacking energy: -236.433
Base-Backbone interact. energy: -1.104
local terms energy: -259.228538
where:
bonds (distance) C4'-P energy: -49.492
bonds (distance) P-C4' energy: -48.379
flat angles C4'-P-C4' energy: -56.053
flat angles P-C4'-P energy: -43.854
tors. eta vs tors. theta energy: -61.451
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: 5, replica: 5
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -840.159317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.159317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.159317 (E_RNA)
where:
Base-Base interactions energy: -567.162
where: short stacking energy: -247.404
Base-Backbone interact. energy: -1.104
local terms energy: -271.893321
where:
bonds (distance) C4'-P energy: -44.824
bonds (distance) P-C4' energy: -54.665
flat angles C4'-P-C4' energy: -54.780
flat angles P-C4'-P energy: -42.515
tors. eta vs tors. theta energy: -75.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -762.790273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.790273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.790273 (E_RNA)
where:
Base-Base interactions energy: -531.663
where: short stacking energy: -219.497
Base-Backbone interact. energy: -0.695
local terms energy: -230.432091
where:
bonds (distance) C4'-P energy: -46.844
bonds (distance) P-C4' energy: -42.197
flat angles C4'-P-C4' energy: -48.171
flat angles P-C4'-P energy: -37.213
tors. eta vs tors. theta energy: -56.007
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: 2
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -741.834811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.834811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.834811 (E_RNA)
where:
Base-Base interactions energy: -485.664
where: short stacking energy: -215.843
Base-Backbone interact. energy: -1.354
local terms energy: -254.817037
where:
bonds (distance) C4'-P energy: -49.524
bonds (distance) P-C4' energy: -52.936
flat angles C4'-P-C4' energy: -55.287
flat angles P-C4'-P energy: -40.164
tors. eta vs tors. theta energy: -56.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -560.353100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.353100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.353100 (E_RNA)
where:
Base-Base interactions energy: -364.183
where: short stacking energy: -167.273
Base-Backbone interact. energy: 5.027
local terms energy: -201.197273
where:
bonds (distance) C4'-P energy: -44.926
bonds (distance) P-C4' energy: -49.802
flat angles C4'-P-C4' energy: -51.333
flat angles P-C4'-P energy: -19.561
tors. eta vs tors. theta energy: -35.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -445.581022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.581022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.581022 (E_RNA)
where:
Base-Base interactions energy: -258.000
where: short stacking energy: -130.621
Base-Backbone interact. energy: -1.821
local terms energy: -185.759890
where:
bonds (distance) C4'-P energy: -37.522
bonds (distance) P-C4' energy: -55.708
flat angles C4'-P-C4' energy: -45.264
flat angles P-C4'-P energy: -33.571
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: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -359.493222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.493222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.493222 (E_RNA)
where:
Base-Base interactions energy: -198.311
where: short stacking energy: -101.653
Base-Backbone interact. energy: -0.607
local terms energy: -160.575079
where:
bonds (distance) C4'-P energy: -35.319
bonds (distance) P-C4' energy: -57.594
flat angles C4'-P-C4' energy: -32.091
flat angles P-C4'-P energy: -26.228
tors. eta vs tors. theta energy: -9.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1047.351743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.351743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.351743 (E_RNA)
where:
Base-Base interactions energy: -743.096
where: short stacking energy: -290.192
Base-Backbone interact. energy: -4.698
local terms energy: -299.557236
where:
bonds (distance) C4'-P energy: -51.333
bonds (distance) P-C4' energy: -53.847
flat angles C4'-P-C4' energy: -65.009
flat angles P-C4'-P energy: -40.520
tors. eta vs tors. theta energy: -88.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -998.147697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.147697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.147697 (E_RNA)
where:
Base-Base interactions energy: -702.867
where: short stacking energy: -295.008
Base-Backbone interact. energy: -0.508
local terms energy: -294.772437
where:
bonds (distance) C4'-P energy: -53.702
bonds (distance) P-C4' energy: -53.372
flat angles C4'-P-C4' energy: -58.052
flat angles P-C4'-P energy: -44.711
tors. eta vs tors. theta energy: -84.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -915.697999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.697999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.697999 (E_RNA)
where:
Base-Base interactions energy: -612.929
where: short stacking energy: -271.322
Base-Backbone interact. energy: -1.195
local terms energy: -301.574240
where:
bonds (distance) C4'-P energy: -50.455
bonds (distance) P-C4' energy: -56.862
flat angles C4'-P-C4' energy: -71.680
flat angles P-C4'-P energy: -33.485
tors. eta vs tors. theta energy: -89.092
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: 5
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -862.743632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.743632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.743632 (E_RNA)
where:
Base-Base interactions energy: -575.087
where: short stacking energy: -270.513
Base-Backbone interact. energy: 1.520
local terms energy: -289.177020
where:
bonds (distance) C4'-P energy: -56.130
bonds (distance) P-C4' energy: -45.222
flat angles C4'-P-C4' energy: -65.721
flat angles P-C4'-P energy: -39.910
tors. eta vs tors. theta energy: -82.194
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: 313
Temperature: 1.100000
Total energy: -762.214252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.214252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.214252 (E_RNA)
where:
Base-Base interactions energy: -510.699
where: short stacking energy: -228.670
Base-Backbone interact. energy: -1.457
local terms energy: -250.057998
where:
bonds (distance) C4'-P energy: -43.727
bonds (distance) P-C4' energy: -56.150
flat angles C4'-P-C4' energy: -58.488
flat angles P-C4'-P energy: -31.955
tors. eta vs tors. theta energy: -59.738
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: 6, replica: 2
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -796.036348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.036348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.036348 (E_RNA)
where:
Base-Base interactions energy: -529.230
where: short stacking energy: -248.829
Base-Backbone interact. energy: -0.726
local terms energy: -266.080827
where:
bonds (distance) C4'-P energy: -49.615
bonds (distance) P-C4' energy: -54.199
flat angles C4'-P-C4' energy: -61.477
flat angles P-C4'-P energy: -32.597
tors. eta vs tors. theta energy: -68.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -725.837161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.837161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.837161 (E_RNA)
where:
Base-Base interactions energy: -480.003
where: short stacking energy: -208.285
Base-Backbone interact. energy: -1.410
local terms energy: -244.424295
where:
bonds (distance) C4'-P energy: -43.632
bonds (distance) P-C4' energy: -44.523
flat angles C4'-P-C4' energy: -54.858
flat angles P-C4'-P energy: -42.646
tors. eta vs tors. theta energy: -58.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -588.631110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.631110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.631110 (E_RNA)
where:
Base-Base interactions energy: -378.019
where: short stacking energy: -184.373
Base-Backbone interact. energy: -0.625
local terms energy: -209.986796
where:
bonds (distance) C4'-P energy: -51.591
bonds (distance) P-C4' energy: -41.572
flat angles C4'-P-C4' energy: -46.462
flat angles P-C4'-P energy: -35.469
tors. eta vs tors. theta energy: -34.893
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: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -476.974297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.974297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.974297 (E_RNA)
where:
Base-Base interactions energy: -275.979
where: short stacking energy: -144.113
Base-Backbone interact. energy: 1.277
local terms energy: -202.272442
where:
bonds (distance) C4'-P energy: -39.129
bonds (distance) P-C4' energy: -49.953
flat angles C4'-P-C4' energy: -52.856
flat angles P-C4'-P energy: -25.864
tors. eta vs tors. theta energy: -34.470
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: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -344.369275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.369275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.369275 (E_RNA)
where:
Base-Base interactions energy: -174.809
where: short stacking energy: -104.277
Base-Backbone interact. energy: 0.199
local terms energy: -169.759592
where:
bonds (distance) C4'-P energy: -43.739
bonds (distance) P-C4' energy: -53.389
flat angles C4'-P-C4' energy: -51.296
flat angles P-C4'-P energy: -25.367
tors. eta vs tors. theta energy: 4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1050.885147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.885147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.885147 (E_RNA)
where:
Base-Base interactions energy: -744.421
where: short stacking energy: -300.547
Base-Backbone interact. energy: -3.952
local terms energy: -302.511879
where:
bonds (distance) C4'-P energy: -59.266
bonds (distance) P-C4' energy: -47.835
flat angles C4'-P-C4' energy: -63.233
flat angles P-C4'-P energy: -40.078
tors. eta vs tors. theta energy: -92.099
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: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -994.138788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.138788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.138788 (E_RNA)
where:
Base-Base interactions energy: -680.469
where: short stacking energy: -288.586
Base-Backbone interact. energy: -1.681
local terms energy: -311.989465
where:
bonds (distance) C4'-P energy: -54.901
bonds (distance) P-C4' energy: -61.638
flat angles C4'-P-C4' energy: -60.405
flat angles P-C4'-P energy: -50.760
tors. eta vs tors. theta energy: -84.285
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: 8
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -919.285776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.285776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.285776 (E_RNA)
where:
Base-Base interactions energy: -639.703
where: short stacking energy: -289.997
Base-Backbone interact. energy: -0.599
local terms energy: -278.983706
where:
bonds (distance) C4'-P energy: -39.574
bonds (distance) P-C4' energy: -45.507
flat angles C4'-P-C4' energy: -62.861
flat angles P-C4'-P energy: -44.185
tors. eta vs tors. theta energy: -86.857
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: 5
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -838.065565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.065565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.065565 (E_RNA)
where:
Base-Base interactions energy: -575.058
where: short stacking energy: -252.569
Base-Backbone interact. energy: -2.305
local terms energy: -260.701959
where:
bonds (distance) C4'-P energy: -49.710
bonds (distance) P-C4' energy: -47.733
flat angles C4'-P-C4' energy: -47.386
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: -75.223
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: 2
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -783.789298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.789298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.789298 (E_RNA)
where:
Base-Base interactions energy: -524.631
where: short stacking energy: -234.358
Base-Backbone interact. energy: 2.859
local terms energy: -262.017676
where:
bonds (distance) C4'-P energy: -48.835
bonds (distance) P-C4' energy: -43.094
flat angles C4'-P-C4' energy: -60.648
flat angles P-C4'-P energy: -44.157
tors. eta vs tors. theta energy: -65.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -717.847966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.847966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.847966 (E_RNA)
where:
Base-Base interactions energy: -479.666
where: short stacking energy: -212.899
Base-Backbone interact. energy: -0.950
local terms energy: -237.232201
where:
bonds (distance) C4'-P energy: -43.667
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -54.567
flat angles P-C4'-P energy: -39.083
tors. eta vs tors. theta energy: -49.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -737.097770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.097770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.097770 (E_RNA)
where:
Base-Base interactions energy: -484.901
where: short stacking energy: -204.758
Base-Backbone interact. energy: -2.999
local terms energy: -249.196893
where:
bonds (distance) C4'-P energy: -56.392
bonds (distance) P-C4' energy: -47.430
flat angles C4'-P-C4' energy: -54.613
flat angles P-C4'-P energy: -34.917
tors. eta vs tors. theta energy: -55.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -576.239685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.239685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.239685 (E_RNA)
where:
Base-Base interactions energy: -366.802
where: short stacking energy: -168.181
Base-Backbone interact. energy: -2.126
local terms energy: -207.311997
where:
bonds (distance) C4'-P energy: -53.354
bonds (distance) P-C4' energy: -48.130
flat angles C4'-P-C4' energy: -44.320
flat angles P-C4'-P energy: -34.547
tors. eta vs tors. theta energy: -26.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -488.470981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.470981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.470981 (E_RNA)
where:
Base-Base interactions energy: -274.237
where: short stacking energy: -126.499
Base-Backbone interact. energy: -1.522
local terms energy: -212.711995
where:
bonds (distance) C4'-P energy: -58.394
bonds (distance) P-C4' energy: -49.628
flat angles C4'-P-C4' energy: -53.262
flat angles P-C4'-P energy: -27.656
tors. eta vs tors. theta energy: -23.772
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: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -361.131373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.131373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.131373 (E_RNA)
where:
Base-Base interactions energy: -195.054
where: short stacking energy: -102.319
Base-Backbone interact. energy: -0.789
local terms energy: -165.288231
where:
bonds (distance) C4'-P energy: -48.301
bonds (distance) P-C4' energy: -50.742
flat angles C4'-P-C4' energy: -38.070
flat angles P-C4'-P energy: -26.145
tors. eta vs tors. theta energy: -2.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1039.686023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.686023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.686023 (E_RNA)
where:
Base-Base interactions energy: -736.171
where: short stacking energy: -306.621
Base-Backbone interact. energy: -0.609
local terms energy: -302.906083
where:
bonds (distance) C4'-P energy: -52.791
bonds (distance) P-C4' energy: -52.806
flat angles C4'-P-C4' energy: -64.683
flat angles P-C4'-P energy: -41.666
tors. eta vs tors. theta energy: -90.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1020.194553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.194553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.194553 (E_RNA)
where:
Base-Base interactions energy: -713.297
where: short stacking energy: -307.214
Base-Backbone interact. energy: -1.576
local terms energy: -305.321181
where:
bonds (distance) C4'-P energy: -56.767
bonds (distance) P-C4' energy: -43.718
flat angles C4'-P-C4' energy: -68.142
flat angles P-C4'-P energy: -43.153
tors. eta vs tors. theta energy: -93.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -916.754731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.754731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.754731 (E_RNA)
where:
Base-Base interactions energy: -625.440
where: short stacking energy: -286.209
Base-Backbone interact. energy: -1.945
local terms energy: -289.369269
where:
bonds (distance) C4'-P energy: -55.742
bonds (distance) P-C4' energy: -56.280
flat angles C4'-P-C4' energy: -53.352
flat angles P-C4'-P energy: -42.636
tors. eta vs tors. theta energy: -81.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -834.660000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.660000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.660000 (E_RNA)
where:
Base-Base interactions energy: -568.787
where: short stacking energy: -251.067
Base-Backbone interact. energy: 0.253
local terms energy: -266.125939
where:
bonds (distance) C4'-P energy: -42.825
bonds (distance) P-C4' energy: -52.837
flat angles C4'-P-C4' energy: -55.694
flat angles P-C4'-P energy: -43.649
tors. eta vs tors. theta energy: -71.121
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: 2
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -795.874052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.874052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.874052 (E_RNA)
where:
Base-Base interactions energy: -532.789
where: short stacking energy: -246.372
Base-Backbone interact. energy: -0.683
local terms energy: -262.401815
where:
bonds (distance) C4'-P energy: -51.802
bonds (distance) P-C4' energy: -54.724
flat angles C4'-P-C4' energy: -53.196
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -73.559
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: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -750.846288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.846288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.846288 (E_RNA)
where:
Base-Base interactions energy: -529.267
where: short stacking energy: -225.660
Base-Backbone interact. energy: -0.721
local terms energy: -220.858795
where:
bonds (distance) C4'-P energy: -56.357
bonds (distance) P-C4' energy: -33.019
flat angles C4'-P-C4' energy: -48.754
flat angles P-C4'-P energy: -31.741
tors. eta vs tors. theta energy: -50.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -678.591873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.591873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.591873 (E_RNA)
where:
Base-Base interactions energy: -457.611
where: short stacking energy: -200.293
Base-Backbone interact. energy: 0.110
local terms energy: -221.090910
where:
bonds (distance) C4'-P energy: -39.033
bonds (distance) P-C4' energy: -50.230
flat angles C4'-P-C4' energy: -53.816
flat angles P-C4'-P energy: -35.044
tors. eta vs tors. theta energy: -42.967
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: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -568.813409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.813409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.813409 (E_RNA)
where:
Base-Base interactions energy: -366.745
where: short stacking energy: -163.493
Base-Backbone interact. energy: -0.010
local terms energy: -202.059142
where:
bonds (distance) C4'-P energy: -41.980
bonds (distance) P-C4' energy: -43.271
flat angles C4'-P-C4' energy: -54.117
flat angles P-C4'-P energy: -29.889
tors. eta vs tors. theta energy: -32.802
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: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -448.301395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.301395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.301395 (E_RNA)
where:
Base-Base interactions energy: -271.502
where: short stacking energy: -130.205
Base-Backbone interact. energy: 1.031
local terms energy: -177.829807
where:
bonds (distance) C4'-P energy: -43.203
bonds (distance) P-C4' energy: -47.135
flat angles C4'-P-C4' energy: -42.637
flat angles P-C4'-P energy: -22.719
tors. eta vs tors. theta energy: -22.135
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: 10, replica: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -352.070779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.070779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.070779 (E_RNA)
where:
Base-Base interactions energy: -177.903
where: short stacking energy: -94.533
Base-Backbone interact. energy: 2.053
local terms energy: -176.221494
where:
bonds (distance) C4'-P energy: -51.859
bonds (distance) P-C4' energy: -61.427
flat angles C4'-P-C4' energy: -41.324
flat angles P-C4'-P energy: -26.058
tors. eta vs tors. theta energy: 4.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1027.253674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.253674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.253674 (E_RNA)
where:
Base-Base interactions energy: -710.716
where: short stacking energy: -296.271
Base-Backbone interact. energy: -1.795
local terms energy: -314.743316
where:
bonds (distance) C4'-P energy: -53.815
bonds (distance) P-C4' energy: -61.772
flat angles C4'-P-C4' energy: -64.650
flat angles P-C4'-P energy: -41.828
tors. eta vs tors. theta energy: -92.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1030.299088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.299088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.299088 (E_RNA)
where:
Base-Base interactions energy: -710.685
where: short stacking energy: -297.901
Base-Backbone interact. energy: -0.663
local terms energy: -318.951432
where:
bonds (distance) C4'-P energy: -64.342
bonds (distance) P-C4' energy: -58.211
flat angles C4'-P-C4' energy: -66.246
flat angles P-C4'-P energy: -37.843
tors. eta vs tors. theta energy: -92.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -922.344645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.344645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.344645 (E_RNA)
where:
Base-Base interactions energy: -633.337
where: short stacking energy: -285.491
Base-Backbone interact. energy: -0.645
local terms energy: -288.362475
where:
bonds (distance) C4'-P energy: -50.726
bonds (distance) P-C4' energy: -52.634
flat angles C4'-P-C4' energy: -65.723
flat angles P-C4'-P energy: -35.792
tors. eta vs tors. theta energy: -83.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -859.434647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.434647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.434647 (E_RNA)
where:
Base-Base interactions energy: -569.719
where: short stacking energy: -260.923
Base-Backbone interact. energy: -0.961
local terms energy: -288.754957
where:
bonds (distance) C4'-P energy: -33.339
bonds (distance) P-C4' energy: -61.055
flat angles C4'-P-C4' energy: -65.647
flat angles P-C4'-P energy: -52.579
tors. eta vs tors. theta energy: -76.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -743.094037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.094037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.094037 (E_RNA)
where:
Base-Base interactions energy: -508.730
where: short stacking energy: -236.639
Base-Backbone interact. energy: -0.179
local terms energy: -234.184564
where:
bonds (distance) C4'-P energy: -42.046
bonds (distance) P-C4' energy: -49.222
flat angles C4'-P-C4' energy: -48.761
flat angles P-C4'-P energy: -40.477
tors. eta vs tors. theta energy: -53.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -766.103205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.103205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.103205 (E_RNA)
where:
Base-Base interactions energy: -508.632
where: short stacking energy: -223.765
Base-Backbone interact. energy: -2.301
local terms energy: -255.170760
where:
bonds (distance) C4'-P energy: -48.283
bonds (distance) P-C4' energy: -53.255
flat angles C4'-P-C4' energy: -45.354
flat angles P-C4'-P energy: -37.104
tors. eta vs tors. theta energy: -71.174
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: 316
Temperature: 1.200000
Total energy: -714.966013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.966013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.966013 (E_RNA)
where:
Base-Base interactions energy: -475.138
where: short stacking energy: -221.235
Base-Backbone interact. energy: -0.916
local terms energy: -238.912064
where:
bonds (distance) C4'-P energy: -53.246
bonds (distance) P-C4' energy: -48.787
flat angles C4'-P-C4' energy: -42.992
flat angles P-C4'-P energy: -37.765
tors. eta vs tors. theta energy: -56.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -592.144574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.144574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.144574 (E_RNA)
where:
Base-Base interactions energy: -385.776
where: short stacking energy: -183.989
Base-Backbone interact. energy: -0.787
local terms energy: -205.581074
where:
bonds (distance) C4'-P energy: -40.862
bonds (distance) P-C4' energy: -50.473
flat angles C4'-P-C4' energy: -41.240
flat angles P-C4'-P energy: -28.530
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: 9, replica: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -375.738444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.738444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.738444 (E_RNA)
where:
Base-Base interactions energy: -197.279
where: short stacking energy: -108.773
Base-Backbone interact. energy: -4.519
local terms energy: -173.940657
where:
bonds (distance) C4'-P energy: -49.971
bonds (distance) P-C4' energy: -44.799
flat angles C4'-P-C4' energy: -44.722
flat angles P-C4'-P energy: -36.836
tors. eta vs tors. theta energy: 2.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -455.003106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.003106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.003106 (E_RNA)
where:
Base-Base interactions energy: -271.595
where: short stacking energy: -134.496
Base-Backbone interact. energy: -1.336
local terms energy: -182.072013
where:
bonds (distance) C4'-P energy: -43.805
bonds (distance) P-C4' energy: -47.911
flat angles C4'-P-C4' energy: -44.906
flat angles P-C4'-P energy: -22.140
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1012.676527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.676527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.676527 (E_RNA)
where:
Base-Base interactions energy: -688.889
where: short stacking energy: -288.831
Base-Backbone interact. energy: -0.129
local terms energy: -323.657839
where:
bonds (distance) C4'-P energy: -63.129
bonds (distance) P-C4' energy: -62.324
flat angles C4'-P-C4' energy: -66.889
flat angles P-C4'-P energy: -42.232
tors. eta vs tors. theta energy: -89.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1016.901097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.901097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.901097 (E_RNA)
where:
Base-Base interactions energy: -700.245
where: short stacking energy: -284.138
Base-Backbone interact. energy: -1.855
local terms energy: -314.801433
where:
bonds (distance) C4'-P energy: -52.406
bonds (distance) P-C4' energy: -61.479
flat angles C4'-P-C4' energy: -71.508
flat angles P-C4'-P energy: -41.990
tors. eta vs tors. theta energy: -87.418
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: 8
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -937.760429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.760429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.760429 (E_RNA)
where:
Base-Base interactions energy: -640.212
where: short stacking energy: -278.174
Base-Backbone interact. energy: -0.407
local terms energy: -297.141808
where:
bonds (distance) C4'-P energy: -47.912
bonds (distance) P-C4' energy: -61.001
flat angles C4'-P-C4' energy: -59.109
flat angles P-C4'-P energy: -36.930
tors. eta vs tors. theta energy: -92.190
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: 317
Temperature: 1.050000
Total energy: -848.549953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.549953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.549953 (E_RNA)
where:
Base-Base interactions energy: -571.466
where: short stacking energy: -247.734
Base-Backbone interact. energy: -0.673
local terms energy: -276.410940
where:
bonds (distance) C4'-P energy: -48.070
bonds (distance) P-C4' energy: -55.295
flat angles C4'-P-C4' energy: -58.989
flat angles P-C4'-P energy: -36.205
tors. eta vs tors. theta energy: -77.853
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: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -728.890284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.890284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.890284 (E_RNA)
where:
Base-Base interactions energy: -489.830
where: short stacking energy: -206.228
Base-Backbone interact. energy: 0.193
local terms energy: -239.254215
where:
bonds (distance) C4'-P energy: -45.713
bonds (distance) P-C4' energy: -51.011
flat angles C4'-P-C4' energy: -58.448
flat angles P-C4'-P energy: -31.411
tors. eta vs tors. theta energy: -52.671
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: 2
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -773.093631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.093631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.093631 (E_RNA)
where:
Base-Base interactions energy: -504.421
where: short stacking energy: -234.209
Base-Backbone interact. energy: 0.233
local terms energy: -268.905143
where:
bonds (distance) C4'-P energy: -48.835
bonds (distance) P-C4' energy: -50.569
flat angles C4'-P-C4' energy: -68.860
flat angles P-C4'-P energy: -36.465
tors. eta vs tors. theta energy: -64.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -730.205099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.205099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.205099 (E_RNA)
where:
Base-Base interactions energy: -490.032
where: short stacking energy: -227.597
Base-Backbone interact. energy: -0.466
local terms energy: -239.707747
where:
bonds (distance) C4'-P energy: -39.299
bonds (distance) P-C4' energy: -48.661
flat angles C4'-P-C4' energy: -55.104
flat angles P-C4'-P energy: -42.493
tors. eta vs tors. theta energy: -54.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -658.079745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.079745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.079745 (E_RNA)
where:
Base-Base interactions energy: -428.401
where: short stacking energy: -185.221
Base-Backbone interact. energy: -0.022
local terms energy: -229.656319
where:
bonds (distance) C4'-P energy: -49.169
bonds (distance) P-C4' energy: -54.445
flat angles C4'-P-C4' energy: -48.643
flat angles P-C4'-P energy: -29.579
tors. eta vs tors. theta energy: -47.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -361.602821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.602821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.602821 (E_RNA)
where:
Base-Base interactions energy: -188.163
where: short stacking energy: -118.668
Base-Backbone interact. energy: 3.985
local terms energy: -177.424561
where:
bonds (distance) C4'-P energy: -42.656
bonds (distance) P-C4' energy: -49.090
flat angles C4'-P-C4' energy: -41.511
flat angles P-C4'-P energy: -33.249
tors. eta vs tors. theta energy: -10.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -415.762080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -415.762080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -415.762080 (E_RNA)
where:
Base-Base interactions energy: -232.003
where: short stacking energy: -114.024
Base-Backbone interact. energy: -2.553
local terms energy: -181.205808
where:
bonds (distance) C4'-P energy: -38.745
bonds (distance) P-C4' energy: -45.438
flat angles C4'-P-C4' energy: -50.286
flat angles P-C4'-P energy: -35.756
tors. eta vs tors. theta energy: -10.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1025.841323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.841323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.841323 (E_RNA)
where:
Base-Base interactions energy: -712.337
where: short stacking energy: -291.579
Base-Backbone interact. energy: -1.586
local terms energy: -311.919197
where:
bonds (distance) C4'-P energy: -53.077
bonds (distance) P-C4' energy: -57.374
flat angles C4'-P-C4' energy: -68.398
flat angles P-C4'-P energy: -36.182
tors. eta vs tors. theta energy: -96.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -991.287037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.287037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.287037 (E_RNA)
where:
Base-Base interactions energy: -687.100
where: short stacking energy: -296.665
Base-Backbone interact. energy: -1.189
local terms energy: -302.998149
where:
bonds (distance) C4'-P energy: -59.191
bonds (distance) P-C4' energy: -62.147
flat angles C4'-P-C4' energy: -59.664
flat angles P-C4'-P energy: -31.563
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: 3, replica: 8
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -936.596465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.596465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.596465 (E_RNA)
where:
Base-Base interactions energy: -640.204
where: short stacking energy: -275.236
Base-Backbone interact. energy: -1.219
local terms energy: -295.173567
where:
bonds (distance) C4'-P energy: -58.038
bonds (distance) P-C4' energy: -60.538
flat angles C4'-P-C4' energy: -55.398
flat angles P-C4'-P energy: -40.707
tors. eta vs tors. theta energy: -80.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -850.284775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.284775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.284775 (E_RNA)
where:
Base-Base interactions energy: -579.948
where: short stacking energy: -250.536
Base-Backbone interact. energy: -0.761
local terms energy: -269.575682
where:
bonds (distance) C4'-P energy: -55.707
bonds (distance) P-C4' energy: -51.793
flat angles C4'-P-C4' energy: -62.613
flat angles P-C4'-P energy: -30.515
tors. eta vs tors. theta energy: -68.948
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: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -774.937240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.937240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.937240 (E_RNA)
where:
Base-Base interactions energy: -535.026
where: short stacking energy: -247.661
Base-Backbone interact. energy: -0.350
local terms energy: -239.561409
where:
bonds (distance) C4'-P energy: -40.676
bonds (distance) P-C4' energy: -54.137
flat angles C4'-P-C4' energy: -43.418
flat angles P-C4'-P energy: -37.304
tors. eta vs tors. theta energy: -64.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -798.083383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.083383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.083383 (E_RNA)
where:
Base-Base interactions energy: -535.833
where: short stacking energy: -242.963
Base-Backbone interact. energy: -3.279
local terms energy: -258.971617
where:
bonds (distance) C4'-P energy: -57.983
bonds (distance) P-C4' energy: -52.886
flat angles C4'-P-C4' energy: -52.742
flat angles P-C4'-P energy: -35.128
tors. eta vs tors. theta energy: -60.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -749.006801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.006801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.006801 (E_RNA)
where:
Base-Base interactions energy: -511.090
where: short stacking energy: -209.350
Base-Backbone interact. energy: -1.933
local terms energy: -235.984344
where:
bonds (distance) C4'-P energy: -47.688
bonds (distance) P-C4' energy: -44.869
flat angles C4'-P-C4' energy: -56.520
flat angles P-C4'-P energy: -32.375
tors. eta vs tors. theta energy: -54.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -624.100729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.100729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.100729 (E_RNA)
where:
Base-Base interactions energy: -403.266
where: short stacking energy: -191.733
Base-Backbone interact. energy: -1.041
local terms energy: -219.793004
where:
bonds (distance) C4'-P energy: -52.012
bonds (distance) P-C4' energy: -51.517
flat angles C4'-P-C4' energy: -53.651
flat angles P-C4'-P energy: -26.793
tors. eta vs tors. theta energy: -35.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -455.814003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.814003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.814003 (E_RNA)
where:
Base-Base interactions energy: -269.241
where: short stacking energy: -128.979
Base-Backbone interact. energy: 0.794
local terms energy: -187.367099
where:
bonds (distance) C4'-P energy: -52.016
bonds (distance) P-C4' energy: -35.851
flat angles C4'-P-C4' energy: -46.065
flat angles P-C4'-P energy: -28.401
tors. eta vs tors. theta energy: -25.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -345.850150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.850150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.850150 (E_RNA)
where:
Base-Base interactions energy: -178.590
where: short stacking energy: -100.028
Base-Backbone interact. energy: -1.690
local terms energy: -165.570521
where:
bonds (distance) C4'-P energy: -48.747
bonds (distance) P-C4' energy: -44.375
flat angles C4'-P-C4' energy: -41.025
flat angles P-C4'-P energy: -28.736
tors. eta vs tors. theta energy: -2.688
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: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1050.131861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.131861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.131861 (E_RNA)
where:
Base-Base interactions energy: -738.266
where: short stacking energy: -299.381
Base-Backbone interact. energy: -0.636
local terms energy: -311.230197
where:
bonds (distance) C4'-P energy: -50.672
bonds (distance) P-C4' energy: -51.961
flat angles C4'-P-C4' energy: -66.834
flat angles P-C4'-P energy: -43.700
tors. eta vs tors. theta energy: -98.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -995.203490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.203490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.203490 (E_RNA)
where:
Base-Base interactions energy: -692.407
where: short stacking energy: -295.709
Base-Backbone interact. energy: -1.370
local terms energy: -301.426945
where:
bonds (distance) C4'-P energy: -54.004
bonds (distance) P-C4' energy: -53.050
flat angles C4'-P-C4' energy: -60.776
flat angles P-C4'-P energy: -43.376
tors. eta vs tors. theta energy: -90.220
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: 8
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -923.509705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.509705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.509705 (E_RNA)
where:
Base-Base interactions energy: -621.358
where: short stacking energy: -269.299
Base-Backbone interact. energy: -2.142
local terms energy: -300.008873
where:
bonds (distance) C4'-P energy: -54.614
bonds (distance) P-C4' energy: -54.086
flat angles C4'-P-C4' energy: -64.132
flat angles P-C4'-P energy: -43.903
tors. eta vs tors. theta energy: -83.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -851.233598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.233598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.233598 (E_RNA)
where:
Base-Base interactions energy: -584.416
where: short stacking energy: -239.615
Base-Backbone interact. energy: -0.580
local terms energy: -266.237770
where:
bonds (distance) C4'-P energy: -47.272
bonds (distance) P-C4' energy: -46.991
flat angles C4'-P-C4' energy: -59.724
flat angles P-C4'-P energy: -42.789
tors. eta vs tors. theta energy: -69.461
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: 10
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -761.224085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.224085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.224085 (E_RNA)
where:
Base-Base interactions energy: -512.491
where: short stacking energy: -218.063
Base-Backbone interact. energy: -3.499
local terms energy: -245.234146
where:
bonds (distance) C4'-P energy: -57.678
bonds (distance) P-C4' energy: -45.950
flat angles C4'-P-C4' energy: -52.508
flat angles P-C4'-P energy: -31.093
tors. eta vs tors. theta energy: -58.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -778.239014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.239014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.239014 (E_RNA)
where:
Base-Base interactions energy: -511.009
where: short stacking energy: -231.915
Base-Backbone interact. energy: -1.427
local terms energy: -265.803013
where:
bonds (distance) C4'-P energy: -53.690
bonds (distance) P-C4' energy: -59.257
flat angles C4'-P-C4' energy: -57.504
flat angles P-C4'-P energy: -28.872
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: 7, replica: 1
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -747.243096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.243096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.243096 (E_RNA)
where:
Base-Base interactions energy: -493.989
where: short stacking energy: -231.845
Base-Backbone interact. energy: 0.624
local terms energy: -253.877429
where:
bonds (distance) C4'-P energy: -48.837
bonds (distance) P-C4' energy: -54.802
flat angles C4'-P-C4' energy: -55.447
flat angles P-C4'-P energy: -31.844
tors. eta vs tors. theta energy: -62.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -626.696665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.696665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.696665 (E_RNA)
where:
Base-Base interactions energy: -396.921
where: short stacking energy: -190.447
Base-Backbone interact. energy: 0.327
local terms energy: -230.102189
where:
bonds (distance) C4'-P energy: -37.299
bonds (distance) P-C4' energy: -54.806
flat angles C4'-P-C4' energy: -53.900
flat angles P-C4'-P energy: -39.560
tors. eta vs tors. theta energy: -44.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -472.170047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.170047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.170047 (E_RNA)
where:
Base-Base interactions energy: -283.835
where: short stacking energy: -134.811
Base-Backbone interact. energy: -0.715
local terms energy: -187.620262
where:
bonds (distance) C4'-P energy: -45.266
bonds (distance) P-C4' energy: -54.419
flat angles C4'-P-C4' energy: -40.554
flat angles P-C4'-P energy: -28.590
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -367.434846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.434846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.434846 (E_RNA)
where:
Base-Base interactions energy: -188.824
where: short stacking energy: -106.758
Base-Backbone interact. energy: -0.046
local terms energy: -178.565328
where:
bonds (distance) C4'-P energy: -57.350
bonds (distance) P-C4' energy: -45.930
flat angles C4'-P-C4' energy: -38.224
flat angles P-C4'-P energy: -34.022
tors. eta vs tors. theta energy: -3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1040.177067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.177067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.177067 (E_RNA)
where:
Base-Base interactions energy: -720.294
where: short stacking energy: -301.273
Base-Backbone interact. energy: -1.700
local terms energy: -318.182937
where:
bonds (distance) C4'-P energy: -56.194
bonds (distance) P-C4' energy: -59.491
flat angles C4'-P-C4' energy: -63.183
flat angles P-C4'-P energy: -43.581
tors. eta vs tors. theta energy: -95.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1000.294665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.294665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.294665 (E_RNA)
where:
Base-Base interactions energy: -681.913
where: short stacking energy: -289.241
Base-Backbone interact. energy: -1.489
local terms energy: -316.892489
where:
bonds (distance) C4'-P energy: -61.457
bonds (distance) P-C4' energy: -57.223
flat angles C4'-P-C4' energy: -61.662
flat angles P-C4'-P energy: -50.181
tors. eta vs tors. theta energy: -86.369
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: 8
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -945.112091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.112091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.112091 (E_RNA)
where:
Base-Base interactions energy: -646.588
where: short stacking energy: -267.369
Base-Backbone interact. energy: -2.345
local terms energy: -296.179308
where:
bonds (distance) C4'-P energy: -48.785
bonds (distance) P-C4' energy: -52.824
flat angles C4'-P-C4' energy: -60.758
flat angles P-C4'-P energy: -43.551
tors. eta vs tors. theta energy: -90.262
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: 5
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -859.325607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.325607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.325607 (E_RNA)
where:
Base-Base interactions energy: -580.082
where: short stacking energy: -255.049
Base-Backbone interact. energy: 0.610
local terms energy: -279.854028
where:
bonds (distance) C4'-P energy: -44.391
bonds (distance) P-C4' energy: -62.193
flat angles C4'-P-C4' energy: -61.602
flat angles P-C4'-P energy: -40.576
tors. eta vs tors. theta energy: -71.093
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: 2
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -782.714757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.714757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.714757 (E_RNA)
where:
Base-Base interactions energy: -526.729
where: short stacking energy: -255.486
Base-Backbone interact. energy: 0.039
local terms energy: -256.024864
where:
bonds (distance) C4'-P energy: -51.284
bonds (distance) P-C4' energy: -47.057
flat angles C4'-P-C4' energy: -57.217
flat angles P-C4'-P energy: -34.048
tors. eta vs tors. theta energy: -66.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -749.314049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.314049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.314049 (E_RNA)
where:
Base-Base interactions energy: -514.642
where: short stacking energy: -229.722
Base-Backbone interact. energy: -0.499
local terms energy: -234.172959
where:
bonds (distance) C4'-P energy: -44.798
bonds (distance) P-C4' energy: -50.111
flat angles C4'-P-C4' energy: -51.657
flat angles P-C4'-P energy: -28.786
tors. eta vs tors. theta energy: -58.821
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: 1
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -793.469194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.469194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.469194 (E_RNA)
where:
Base-Base interactions energy: -546.539
where: short stacking energy: -239.063
Base-Backbone interact. energy: -1.209
local terms energy: -245.722086
where:
bonds (distance) C4'-P energy: -45.287
bonds (distance) P-C4' energy: -48.753
flat angles C4'-P-C4' energy: -53.722
flat angles P-C4'-P energy: -34.043
tors. eta vs tors. theta energy: -63.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -609.269596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.269596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.269596 (E_RNA)
where:
Base-Base interactions energy: -378.011
where: short stacking energy: -175.383
Base-Backbone interact. energy: 0.077
local terms energy: -231.335296
where:
bonds (distance) C4'-P energy: -51.522
bonds (distance) P-C4' energy: -49.733
flat angles C4'-P-C4' energy: -52.954
flat angles P-C4'-P energy: -35.830
tors. eta vs tors. theta energy: -41.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -396.138314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -396.138314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -396.138314 (E_RNA)
where:
Base-Base interactions energy: -206.124
where: short stacking energy: -116.503
Base-Backbone interact. energy: -1.035
local terms energy: -188.979137
where:
bonds (distance) C4'-P energy: -52.854
bonds (distance) P-C4' energy: -52.782
flat angles C4'-P-C4' energy: -47.190
flat angles P-C4'-P energy: -31.981
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -447.177003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.177003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.177003 (E_RNA)
where:
Base-Base interactions energy: -245.940
where: short stacking energy: -125.301
Base-Backbone interact. energy: -0.905
local terms energy: -200.331803
where:
bonds (distance) C4'-P energy: -47.615
bonds (distance) P-C4' energy: -55.380
flat angles C4'-P-C4' energy: -47.911
flat angles P-C4'-P energy: -28.327
tors. eta vs tors. theta energy: -21.099
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: 1, replica: 7
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1034.381692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.381692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.381692 (E_RNA)
where:
Base-Base interactions energy: -712.932
where: short stacking energy: -308.604
Base-Backbone interact. energy: -2.850
local terms energy: -318.599107
where:
bonds (distance) C4'-P energy: -58.273
bonds (distance) P-C4' energy: -55.015
flat angles C4'-P-C4' energy: -66.270
flat angles P-C4'-P energy: -44.709
tors. eta vs tors. theta energy: -94.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -996.041822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.041822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.041822 (E_RNA)
where:
Base-Base interactions energy: -689.213
where: short stacking energy: -291.268
Base-Backbone interact. energy: -0.494
local terms energy: -306.334664
where:
bonds (distance) C4'-P energy: -59.731
bonds (distance) P-C4' energy: -57.081
flat angles C4'-P-C4' energy: -59.534
flat angles P-C4'-P energy: -41.899
tors. eta vs tors. theta energy: -88.090
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: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -945.245190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.245190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.245190 (E_RNA)
where:
Base-Base interactions energy: -655.736
where: short stacking energy: -276.046
Base-Backbone interact. energy: -1.549
local terms energy: -287.960910
where:
bonds (distance) C4'-P energy: -52.282
bonds (distance) P-C4' energy: -50.743
flat angles C4'-P-C4' energy: -57.947
flat angles P-C4'-P energy: -37.815
tors. eta vs tors. theta energy: -89.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -843.562039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.562039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.562039 (E_RNA)
where:
Base-Base interactions energy: -552.935
where: short stacking energy: -230.390
Base-Backbone interact. energy: -2.120
local terms energy: -288.507871
where:
bonds (distance) C4'-P energy: -55.367
bonds (distance) P-C4' energy: -66.695
flat angles C4'-P-C4' energy: -61.886
flat angles P-C4'-P energy: -35.075
tors. eta vs tors. theta energy: -69.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -838.679453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.679453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.679453 (E_RNA)
where:
Base-Base interactions energy: -568.226
where: short stacking energy: -247.783
Base-Backbone interact. energy: -1.250
local terms energy: -269.203613
where:
bonds (distance) C4'-P energy: -39.254
bonds (distance) P-C4' energy: -55.997
flat angles C4'-P-C4' energy: -61.577
flat angles P-C4'-P energy: -37.553
tors. eta vs tors. theta energy: -74.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -799.849375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.849375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.849375 (E_RNA)
where:
Base-Base interactions energy: -553.810
where: short stacking energy: -227.315
Base-Backbone interact. energy: -0.086
local terms energy: -245.953258
where:
bonds (distance) C4'-P energy: -44.912
bonds (distance) P-C4' energy: -59.348
flat angles C4'-P-C4' energy: -53.621
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -63.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -737.948323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.948323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.948323 (E_RNA)
where:
Base-Base interactions energy: -496.012
where: short stacking energy: -215.942
Base-Backbone interact. energy: -1.537
local terms energy: -240.398938
where:
bonds (distance) C4'-P energy: -42.641
bonds (distance) P-C4' energy: -46.630
flat angles C4'-P-C4' energy: -57.045
flat angles P-C4'-P energy: -38.089
tors. eta vs tors. theta energy: -55.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -611.284864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.284864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.284864 (E_RNA)
where:
Base-Base interactions energy: -394.560
where: short stacking energy: -172.798
Base-Backbone interact. energy: -1.214
local terms energy: -215.511782
where:
bonds (distance) C4'-P energy: -46.630
bonds (distance) P-C4' energy: -46.334
flat angles C4'-P-C4' energy: -54.009
flat angles P-C4'-P energy: -33.806
tors. eta vs tors. theta energy: -34.733
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: 3
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -416.067026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -416.067026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -416.067026 (E_RNA)
where:
Base-Base interactions energy: -244.954
where: short stacking energy: -125.807
Base-Backbone interact. energy: -0.045
local terms energy: -171.068773
where:
bonds (distance) C4'-P energy: -42.061
bonds (distance) P-C4' energy: -46.656
flat angles C4'-P-C4' energy: -39.046
flat angles P-C4'-P energy: -27.402
tors. eta vs tors. theta energy: -15.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -447.642956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.642956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.642956 (E_RNA)
where:
Base-Base interactions energy: -275.677
where: short stacking energy: -134.383
Base-Backbone interact. energy: -2.619
local terms energy: -169.346247
where:
bonds (distance) C4'-P energy: -42.490
bonds (distance) P-C4' energy: -43.103
flat angles C4'-P-C4' energy: -37.330
flat angles P-C4'-P energy: -26.971
tors. eta vs tors. theta energy: -19.451
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: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1057.226317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.226317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.226317 (E_RNA)
where:
Base-Base interactions energy: -749.670
where: short stacking energy: -310.336
Base-Backbone interact. energy: -1.773
local terms energy: -305.783557
where:
bonds (distance) C4'-P energy: -52.314
bonds (distance) P-C4' energy: -52.491
flat angles C4'-P-C4' energy: -67.559
flat angles P-C4'-P energy: -37.527
tors. eta vs tors. theta energy: -95.893
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: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1001.551516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.551516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.551516 (E_RNA)
where:
Base-Base interactions energy: -695.238
where: short stacking energy: -287.205
Base-Backbone interact. energy: -1.695
local terms energy: -304.618513
where:
bonds (distance) C4'-P energy: -49.703
bonds (distance) P-C4' energy: -60.821
flat angles C4'-P-C4' energy: -65.345
flat angles P-C4'-P energy: -38.562
tors. eta vs tors. theta energy: -90.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -932.982398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.982398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.982398 (E_RNA)
where:
Base-Base interactions energy: -626.984
where: short stacking energy: -263.226
Base-Backbone interact. energy: 0.147
local terms energy: -306.145371
where:
bonds (distance) C4'-P energy: -56.436
bonds (distance) P-C4' energy: -58.657
flat angles C4'-P-C4' energy: -60.318
flat angles P-C4'-P energy: -49.438
tors. eta vs tors. theta energy: -81.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -861.019168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.019168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.019168 (E_RNA)
where:
Base-Base interactions energy: -583.283
where: short stacking energy: -252.059
Base-Backbone interact. energy: -0.942
local terms energy: -276.793990
where:
bonds (distance) C4'-P energy: -54.083
bonds (distance) P-C4' energy: -57.310
flat angles C4'-P-C4' energy: -55.611
flat angles P-C4'-P energy: -42.911
tors. eta vs tors. theta energy: -66.879
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: 2
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -885.917526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.917526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.917526 (E_RNA)
where:
Base-Base interactions energy: -609.472
where: short stacking energy: -274.042
Base-Backbone interact. energy: -0.204
local terms energy: -276.241964
where:
bonds (distance) C4'-P energy: -54.736
bonds (distance) P-C4' energy: -44.177
flat angles C4'-P-C4' energy: -55.713
flat angles P-C4'-P energy: -36.246
tors. eta vs tors. theta energy: -85.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -783.269277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.269277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.269277 (E_RNA)
where:
Base-Base interactions energy: -516.791
where: short stacking energy: -243.556
Base-Backbone interact. energy: -0.887
local terms energy: -265.591771
where:
bonds (distance) C4'-P energy: -50.274
bonds (distance) P-C4' energy: -57.682
flat angles C4'-P-C4' energy: -57.815
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -62.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -688.352083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.352083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.352083 (E_RNA)
where:
Base-Base interactions energy: -452.425
where: short stacking energy: -231.072
Base-Backbone interact. energy: -1.963
local terms energy: -233.963407
where:
bonds (distance) C4'-P energy: -42.190
bonds (distance) P-C4' energy: -50.072
flat angles C4'-P-C4' energy: -47.931
flat angles P-C4'-P energy: -34.777
tors. eta vs tors. theta energy: -58.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -704.423103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.423103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.423103 (E_RNA)
where:
Base-Base interactions energy: -471.331
where: short stacking energy: -215.757
Base-Backbone interact. energy: 1.482
local terms energy: -234.574084
where:
bonds (distance) C4'-P energy: -40.615
bonds (distance) P-C4' energy: -42.302
flat angles C4'-P-C4' energy: -57.247
flat angles P-C4'-P energy: -36.261
tors. eta vs tors. theta energy: -58.149
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: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -486.126039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.126039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.126039 (E_RNA)
where:
Base-Base interactions energy: -292.681
where: short stacking energy: -144.163
Base-Backbone interact. energy: -1.151
local terms energy: -192.294593
where:
bonds (distance) C4'-P energy: -50.645
bonds (distance) P-C4' energy: -46.462
flat angles C4'-P-C4' energy: -47.921
flat angles P-C4'-P energy: -19.802
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: 10, replica: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -370.388488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.388488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.388488 (E_RNA)
where:
Base-Base interactions energy: -199.132
where: short stacking energy: -119.719
Base-Backbone interact. energy: -1.455
local terms energy: -169.801849
where:
bonds (distance) C4'-P energy: -48.740
bonds (distance) P-C4' energy: -32.972
flat angles C4'-P-C4' energy: -43.128
flat angles P-C4'-P energy: -26.386
tors. eta vs tors. theta energy: -18.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -1065.014791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.014791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.014791 (E_RNA)
where:
Base-Base interactions energy: -732.104
where: short stacking energy: -306.570
Base-Backbone interact. energy: -1.225
local terms energy: -331.686040
where:
bonds (distance) C4'-P energy: -62.501
bonds (distance) P-C4' energy: -58.384
flat angles C4'-P-C4' energy: -63.554
flat angles P-C4'-P energy: -44.281
tors. eta vs tors. theta energy: -102.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1009.698811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.698811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.698811 (E_RNA)
where:
Base-Base interactions energy: -693.915
where: short stacking energy: -299.095
Base-Backbone interact. energy: -1.594
local terms energy: -314.190036
where:
bonds (distance) C4'-P energy: -57.951
bonds (distance) P-C4' energy: -65.605
flat angles C4'-P-C4' energy: -56.756
flat angles P-C4'-P energy: -39.994
tors. eta vs tors. theta energy: -93.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -926.448524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.448524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.448524 (E_RNA)
where:
Base-Base interactions energy: -631.352
where: short stacking energy: -262.061
Base-Backbone interact. energy: -2.214
local terms energy: -292.883246
where:
bonds (distance) C4'-P energy: -55.832
bonds (distance) P-C4' energy: -53.123
flat angles C4'-P-C4' energy: -58.148
flat angles P-C4'-P energy: -44.653
tors. eta vs tors. theta energy: -81.126
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: 2
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -892.999263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.999263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.999263 (E_RNA)
where:
Base-Base interactions energy: -611.637
where: short stacking energy: -275.972
Base-Backbone interact. energy: -1.320
local terms energy: -280.042621
where:
bonds (distance) C4'-P energy: -39.054
bonds (distance) P-C4' energy: -45.819
flat angles C4'-P-C4' energy: -61.143
flat angles P-C4'-P energy: -48.581
tors. eta vs tors. theta energy: -85.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -836.110692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.110692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.110692 (E_RNA)
where:
Base-Base interactions energy: -581.992
where: short stacking energy: -247.337
Base-Backbone interact. energy: -2.365
local terms energy: -251.753554
where:
bonds (distance) C4'-P energy: -43.733
bonds (distance) P-C4' energy: -51.877
flat angles C4'-P-C4' energy: -54.426
flat angles P-C4'-P energy: -34.117
tors. eta vs tors. theta energy: -67.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -762.568192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.568192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.568192 (E_RNA)
where:
Base-Base interactions energy: -513.157
where: short stacking energy: -227.812
Base-Backbone interact. energy: -0.645
local terms energy: -248.766387
where:
bonds (distance) C4'-P energy: -55.618
bonds (distance) P-C4' energy: -42.024
flat angles C4'-P-C4' energy: -54.299
flat angles P-C4'-P energy: -39.842
tors. eta vs tors. theta energy: -56.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -659.475655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.475655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.475655 (E_RNA)
where:
Base-Base interactions energy: -431.915
where: short stacking energy: -202.221
Base-Backbone interact. energy: -0.741
local terms energy: -226.819129
where:
bonds (distance) C4'-P energy: -54.333
bonds (distance) P-C4' energy: -40.443
flat angles C4'-P-C4' energy: -49.535
flat angles P-C4'-P energy: -28.965
tors. eta vs tors. theta energy: -53.543
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: 10
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -690.537574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.537574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.537574 (E_RNA)
where:
Base-Base interactions energy: -469.886
where: short stacking energy: -216.897
Base-Backbone interact. energy: -0.880
local terms energy: -219.771400
where:
bonds (distance) C4'-P energy: -40.987
bonds (distance) P-C4' energy: -34.952
flat angles C4'-P-C4' energy: -56.517
flat angles P-C4'-P energy: -32.305
tors. eta vs tors. theta energy: -55.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -486.110055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -486.110055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -486.110055 (E_RNA)
where:
Base-Base interactions energy: -290.020
where: short stacking energy: -141.979
Base-Backbone interact. energy: -1.862
local terms energy: -194.228918
where:
bonds (distance) C4'-P energy: -34.137
bonds (distance) P-C4' energy: -50.946
flat angles C4'-P-C4' energy: -52.939
flat angles P-C4'-P energy: -31.848
tors. eta vs tors. theta energy: -24.360
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: 10, replica: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -350.616226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.616226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.616226 (E_RNA)
where:
Base-Base interactions energy: -171.466
where: short stacking energy: -102.766
Base-Backbone interact. energy: -1.514
local terms energy: -177.635780
where:
bonds (distance) C4'-P energy: -56.347
bonds (distance) P-C4' energy: -48.979
flat angles C4'-P-C4' energy: -48.715
flat angles P-C4'-P energy: -18.711
tors. eta vs tors. theta energy: -4.883
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: 7
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1040.829791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.829791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.829791 (E_RNA)
where:
Base-Base interactions energy: -729.967
where: short stacking energy: -309.607
Base-Backbone interact. energy: -0.444
local terms energy: -310.419044
where:
bonds (distance) C4'-P energy: -54.162
bonds (distance) P-C4' energy: -60.129
flat angles C4'-P-C4' energy: -60.645
flat angles P-C4'-P energy: -40.221
tors. eta vs tors. theta energy: -95.262
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: 4
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1012.850020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.850020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.850020 (E_RNA)
where:
Base-Base interactions energy: -710.181
where: short stacking energy: -305.976
Base-Backbone interact. energy: -0.732
local terms energy: -301.937214
where:
bonds (distance) C4'-P energy: -54.745
bonds (distance) P-C4' energy: -54.780
flat angles C4'-P-C4' energy: -58.638
flat angles P-C4'-P energy: -44.790
tors. eta vs tors. theta energy: -88.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -925.733889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.733889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.733889 (E_RNA)
where:
Base-Base interactions energy: -626.242
where: short stacking energy: -258.421
Base-Backbone interact. energy: -1.542
local terms energy: -297.950009
where:
bonds (distance) C4'-P energy: -59.952
bonds (distance) P-C4' energy: -49.797
flat angles C4'-P-C4' energy: -65.771
flat angles P-C4'-P energy: -40.563
tors. eta vs tors. theta energy: -81.867
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: 324
Temperature: 1.050000
Total energy: -907.962849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.962849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.962849 (E_RNA)
where:
Base-Base interactions energy: -620.163
where: short stacking energy: -279.382
Base-Backbone interact. energy: -0.809
local terms energy: -286.990830
where:
bonds (distance) C4'-P energy: -48.495
bonds (distance) P-C4' energy: -56.196
flat angles C4'-P-C4' energy: -57.853
flat angles P-C4'-P energy: -34.730
tors. eta vs tors. theta energy: -89.716
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: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -758.552302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.552302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.552302 (E_RNA)
where:
Base-Base interactions energy: -497.223
where: short stacking energy: -201.561
Base-Backbone interact. energy: 1.732
local terms energy: -263.061537
where:
bonds (distance) C4'-P energy: -51.235
bonds (distance) P-C4' energy: -54.685
flat angles C4'-P-C4' energy: -59.788
flat angles P-C4'-P energy: -39.940
tors. eta vs tors. theta energy: -57.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -833.370286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.370286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.370286 (E_RNA)
where:
Base-Base interactions energy: -565.413
where: short stacking energy: -246.547
Base-Backbone interact. energy: -0.517
local terms energy: -267.440258
where:
bonds (distance) C4'-P energy: -50.305
bonds (distance) P-C4' energy: -57.664
flat angles C4'-P-C4' energy: -51.410
flat angles P-C4'-P energy: -38.185
tors. eta vs tors. theta energy: -69.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -691.321181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.321181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.321181 (E_RNA)
where:
Base-Base interactions energy: -466.627
where: short stacking energy: -204.139
Base-Backbone interact. energy: -1.396
local terms energy: -223.297635
where:
bonds (distance) C4'-P energy: -48.874
bonds (distance) P-C4' energy: -46.822
flat angles C4'-P-C4' energy: -54.102
flat angles P-C4'-P energy: -21.121
tors. eta vs tors. theta energy: -52.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -625.758269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.758269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.758269 (E_RNA)
where:
Base-Base interactions energy: -396.562
where: short stacking energy: -178.463
Base-Backbone interact. energy: -0.233
local terms energy: -228.963444
where:
bonds (distance) C4'-P energy: -49.347
bonds (distance) P-C4' energy: -58.971
flat angles C4'-P-C4' energy: -49.835
flat angles P-C4'-P energy: -38.114
tors. eta vs tors. theta energy: -32.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -463.434914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.434914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.434914 (E_RNA)
where:
Base-Base interactions energy: -271.761
where: short stacking energy: -124.663
Base-Backbone interact. energy: 0.736
local terms energy: -192.409899
where:
bonds (distance) C4'-P energy: -55.768
bonds (distance) P-C4' energy: -49.629
flat angles C4'-P-C4' energy: -47.340
flat angles P-C4'-P energy: -22.945
tors. eta vs tors. theta energy: -16.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -420.821417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.821417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.821417 (E_RNA)
where:
Base-Base interactions energy: -233.487
where: short stacking energy: -114.387
Base-Backbone interact. energy: 3.298
local terms energy: -190.632709
where:
bonds (distance) C4'-P energy: -48.623
bonds (distance) P-C4' energy: -39.532
flat angles C4'-P-C4' energy: -54.199
flat angles P-C4'-P energy: -39.270
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1065.077482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.077482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.077482 (E_RNA)
where:
Base-Base interactions energy: -735.499
where: short stacking energy: -307.591
Base-Backbone interact. energy: -2.767
local terms energy: -326.811182
where:
bonds (distance) C4'-P energy: -53.074
bonds (distance) P-C4' energy: -62.375
flat angles C4'-P-C4' energy: -63.965
flat angles P-C4'-P energy: -47.411
tors. eta vs tors. theta energy: -99.985
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: 2, replica: 4
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1008.132074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.132074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.132074 (E_RNA)
where:
Base-Base interactions energy: -702.702
where: short stacking energy: -297.543
Base-Backbone interact. energy: -1.647
local terms energy: -303.783017
where:
bonds (distance) C4'-P energy: -52.447
bonds (distance) P-C4' energy: -57.101
flat angles C4'-P-C4' energy: -64.193
flat angles P-C4'-P energy: -47.197
tors. eta vs tors. theta energy: -82.845
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: 2
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -918.857748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.857748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.857748 (E_RNA)
where:
Base-Base interactions energy: -624.780
where: short stacking energy: -290.802
Base-Backbone interact. energy: -1.682
local terms energy: -292.395905
where:
bonds (distance) C4'-P energy: -42.908
bonds (distance) P-C4' energy: -58.438
flat angles C4'-P-C4' energy: -58.908
flat angles P-C4'-P energy: -45.250
tors. eta vs tors. theta energy: -86.893
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: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -890.283930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.283930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.283930 (E_RNA)
where:
Base-Base interactions energy: -603.285
where: short stacking energy: -263.059
Base-Backbone interact. energy: -2.641
local terms energy: -284.358879
where:
bonds (distance) C4'-P energy: -47.059
bonds (distance) P-C4' energy: -56.160
flat angles C4'-P-C4' energy: -62.122
flat angles P-C4'-P energy: -39.806
tors. eta vs tors. theta energy: -79.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -758.580479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.580479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.580479 (E_RNA)
where:
Base-Base interactions energy: -491.108
where: short stacking energy: -222.213
Base-Backbone interact. energy: -0.262
local terms energy: -267.210158
where:
bonds (distance) C4'-P energy: -49.884
bonds (distance) P-C4' energy: -55.431
flat angles C4'-P-C4' energy: -64.539
flat angles P-C4'-P energy: -33.579
tors. eta vs tors. theta energy: -63.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -841.675690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.675690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.675690 (E_RNA)
where:
Base-Base interactions energy: -573.256
where: short stacking energy: -264.552
Base-Backbone interact. energy: -0.471
local terms energy: -267.948373
where:
bonds (distance) C4'-P energy: -45.851
bonds (distance) P-C4' energy: -45.530
flat angles C4'-P-C4' energy: -64.628
flat angles P-C4'-P energy: -32.958
tors. eta vs tors. theta energy: -78.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -751.362114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.362114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.362114 (E_RNA)
where:
Base-Base interactions energy: -503.432
where: short stacking energy: -214.649
Base-Backbone interact. energy: -0.357
local terms energy: -247.573536
where:
bonds (distance) C4'-P energy: -56.755
bonds (distance) P-C4' energy: -58.353
flat angles C4'-P-C4' energy: -47.765
flat angles P-C4'-P energy: -32.048
tors. eta vs tors. theta energy: -52.652
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: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -660.952233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.952233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.952233 (E_RNA)
where:
Base-Base interactions energy: -438.163
where: short stacking energy: -185.932
Base-Backbone interact. energy: -0.598
local terms energy: -222.191641
where:
bonds (distance) C4'-P energy: -44.913
bonds (distance) P-C4' energy: -49.235
flat angles C4'-P-C4' energy: -52.658
flat angles P-C4'-P energy: -29.886
tors. eta vs tors. theta energy: -45.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -466.079889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.079889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.079889 (E_RNA)
where:
Base-Base interactions energy: -278.216
where: short stacking energy: -135.671
Base-Backbone interact. energy: 1.728
local terms energy: -189.592019
where:
bonds (distance) C4'-P energy: -38.642
bonds (distance) P-C4' energy: -43.553
flat angles C4'-P-C4' energy: -50.586
flat angles P-C4'-P energy: -30.353
tors. eta vs tors. theta energy: -26.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -443.242093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.242093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.242093 (E_RNA)
where:
Base-Base interactions energy: -261.609
where: short stacking energy: -133.125
Base-Backbone interact. energy: 0.994
local terms energy: -182.626882
where:
bonds (distance) C4'-P energy: -43.741
bonds (distance) P-C4' energy: -59.333
flat angles C4'-P-C4' energy: -42.531
flat angles P-C4'-P energy: -19.321
tors. eta vs tors. theta energy: -17.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1051.417076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.417076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.417076 (E_RNA)
where:
Base-Base interactions energy: -721.497
where: short stacking energy: -298.132
Base-Backbone interact. energy: -0.761
local terms energy: -329.158696
where:
bonds (distance) C4'-P energy: -51.875
bonds (distance) P-C4' energy: -59.122
flat angles C4'-P-C4' energy: -67.034
flat angles P-C4'-P energy: -49.415
tors. eta vs tors. theta energy: -101.712
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: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -975.264222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.264222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.264222 (E_RNA)
where:
Base-Base interactions energy: -656.570
where: short stacking energy: -285.470
Base-Backbone interact. energy: -1.907
local terms energy: -316.786740
where:
bonds (distance) C4'-P energy: -60.615
bonds (distance) P-C4' energy: -56.052
flat angles C4'-P-C4' energy: -61.502
flat angles P-C4'-P energy: -46.111
tors. eta vs tors. theta energy: -92.506
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: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -951.729408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.729408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.729408 (E_RNA)
where:
Base-Base interactions energy: -638.755
where: short stacking energy: -268.138
Base-Backbone interact. energy: -1.132
local terms energy: -311.841819
where:
bonds (distance) C4'-P energy: -62.686
bonds (distance) P-C4' energy: -59.024
flat angles C4'-P-C4' energy: -61.253
flat angles P-C4'-P energy: -48.126
tors. eta vs tors. theta energy: -80.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -887.568788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.568788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.568788 (E_RNA)
where:
Base-Base interactions energy: -614.003
where: short stacking energy: -264.286
Base-Backbone interact. energy: -2.489
local terms energy: -271.076833
where:
bonds (distance) C4'-P energy: -50.911
bonds (distance) P-C4' energy: -50.167
flat angles C4'-P-C4' energy: -62.083
flat angles P-C4'-P energy: -36.337
tors. eta vs tors. theta energy: -71.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -822.321560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.321560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.321560 (E_RNA)
where:
Base-Base interactions energy: -553.111
where: short stacking energy: -240.702
Base-Backbone interact. energy: -1.730
local terms energy: -267.480890
where:
bonds (distance) C4'-P energy: -48.115
bonds (distance) P-C4' energy: -47.934
flat angles C4'-P-C4' energy: -54.704
flat angles P-C4'-P energy: -44.777
tors. eta vs tors. theta energy: -71.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -753.420786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.420786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.420786 (E_RNA)
where:
Base-Base interactions energy: -500.554
where: short stacking energy: -210.826
Base-Backbone interact. energy: 0.855
local terms energy: -253.721789
where:
bonds (distance) C4'-P energy: -50.449
bonds (distance) P-C4' energy: -55.528
flat angles C4'-P-C4' energy: -58.373
flat angles P-C4'-P energy: -36.344
tors. eta vs tors. theta energy: -53.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -743.081929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.081929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.081929 (E_RNA)
where:
Base-Base interactions energy: -503.466
where: short stacking energy: -223.501
Base-Backbone interact. energy: 1.723
local terms energy: -241.338252
where:
bonds (distance) C4'-P energy: -49.198
bonds (distance) P-C4' energy: -35.848
flat angles C4'-P-C4' energy: -56.813
flat angles P-C4'-P energy: -34.033
tors. eta vs tors. theta energy: -65.447
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: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -652.553290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.553290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.553290 (E_RNA)
where:
Base-Base interactions energy: -424.929
where: short stacking energy: -187.190
Base-Backbone interact. energy: 1.739
local terms energy: -229.363405
where:
bonds (distance) C4'-P energy: -48.970
bonds (distance) P-C4' energy: -57.149
flat angles C4'-P-C4' energy: -49.431
flat angles P-C4'-P energy: -30.422
tors. eta vs tors. theta energy: -43.391
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: 9, replica: 6
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -470.142641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.142641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.142641 (E_RNA)
where:
Base-Base interactions energy: -261.542
where: short stacking energy: -131.922
Base-Backbone interact. energy: -1.602
local terms energy: -206.998980
where:
bonds (distance) C4'-P energy: -54.881
bonds (distance) P-C4' energy: -51.263
flat angles C4'-P-C4' energy: -46.865
flat angles P-C4'-P energy: -29.163
tors. eta vs tors. theta energy: -24.827
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: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -418.560842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -418.560842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -418.560842 (E_RNA)
where:
Base-Base interactions energy: -236.323
where: short stacking energy: -110.460
Base-Backbone interact. energy: -3.575
local terms energy: -178.662496
where:
bonds (distance) C4'-P energy: -52.235
bonds (distance) P-C4' energy: -42.603
flat angles C4'-P-C4' energy: -42.615
flat angles P-C4'-P energy: -30.382
tors. eta vs tors. theta energy: -10.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1046.181229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.181229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.181229 (E_RNA)
where:
Base-Base interactions energy: -724.882
where: short stacking energy: -301.183
Base-Backbone interact. energy: -0.952
local terms energy: -320.346699
where:
bonds (distance) C4'-P energy: -65.858
bonds (distance) P-C4' energy: -48.355
flat angles C4'-P-C4' energy: -66.572
flat angles P-C4'-P energy: -45.321
tors. eta vs tors. theta energy: -94.241
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: 2, replica: 8
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -964.569112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.569112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.569112 (E_RNA)
where:
Base-Base interactions energy: -662.926
where: short stacking energy: -282.512
Base-Backbone interact. energy: -2.237
local terms energy: -299.405527
where:
bonds (distance) C4'-P energy: -51.688
bonds (distance) P-C4' energy: -52.600
flat angles C4'-P-C4' energy: -65.667
flat angles P-C4'-P energy: -43.746
tors. eta vs tors. theta energy: -85.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -970.217552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.217552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.217552 (E_RNA)
where:
Base-Base interactions energy: -660.208
where: short stacking energy: -290.907
Base-Backbone interact. energy: -1.196
local terms energy: -308.813727
where:
bonds (distance) C4'-P energy: -49.236
bonds (distance) P-C4' energy: -55.126
flat angles C4'-P-C4' energy: -64.653
flat angles P-C4'-P energy: -49.202
tors. eta vs tors. theta energy: -90.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -890.538537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.538537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.538537 (E_RNA)
where:
Base-Base interactions energy: -612.313
where: short stacking energy: -264.991
Base-Backbone interact. energy: -1.039
local terms energy: -277.186300
where:
bonds (distance) C4'-P energy: -57.391
bonds (distance) P-C4' energy: -58.694
flat angles C4'-P-C4' energy: -57.204
flat angles P-C4'-P energy: -28.207
tors. eta vs tors. theta energy: -75.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -816.814134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.814134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.814134 (E_RNA)
where:
Base-Base interactions energy: -562.425
where: short stacking energy: -240.641
Base-Backbone interact. energy: -1.155
local terms energy: -253.234664
where:
bonds (distance) C4'-P energy: -46.254
bonds (distance) P-C4' energy: -44.366
flat angles C4'-P-C4' energy: -58.205
flat angles P-C4'-P energy: -35.725
tors. eta vs tors. theta energy: -68.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -767.492517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.492517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.492517 (E_RNA)
where:
Base-Base interactions energy: -520.760
where: short stacking energy: -215.684
Base-Backbone interact. energy: 3.087
local terms energy: -249.819337
where:
bonds (distance) C4'-P energy: -49.377
bonds (distance) P-C4' energy: -49.893
flat angles C4'-P-C4' energy: -54.638
flat angles P-C4'-P energy: -27.236
tors. eta vs tors. theta energy: -68.675
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: 7, replica: 1
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -722.464578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.464578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.464578 (E_RNA)
where:
Base-Base interactions energy: -487.296
where: short stacking energy: -206.156
Base-Backbone interact. energy: -0.183
local terms energy: -234.985598
where:
bonds (distance) C4'-P energy: -51.595
bonds (distance) P-C4' energy: -39.446
flat angles C4'-P-C4' energy: -47.325
flat angles P-C4'-P energy: -42.875
tors. eta vs tors. theta energy: -53.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -636.947387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.947387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.947387 (E_RNA)
where:
Base-Base interactions energy: -416.567
where: short stacking energy: -189.818
Base-Backbone interact. energy: -1.611
local terms energy: -218.769065
where:
bonds (distance) C4'-P energy: -42.216
bonds (distance) P-C4' energy: -51.032
flat angles C4'-P-C4' energy: -48.455
flat angles P-C4'-P energy: -31.028
tors. eta vs tors. theta energy: -46.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -448.349975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.349975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.349975 (E_RNA)
where:
Base-Base interactions energy: -281.304
where: short stacking energy: -140.749
Base-Backbone interact. energy: 1.024
local terms energy: -168.069657
where:
bonds (distance) C4'-P energy: -33.206
bonds (distance) P-C4' energy: -34.490
flat angles C4'-P-C4' energy: -40.583
flat angles P-C4'-P energy: -35.019
tors. eta vs tors. theta energy: -24.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -419.401643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.401643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.401643 (E_RNA)
where:
Base-Base interactions energy: -250.335
where: short stacking energy: -122.594
Base-Backbone interact. energy: -1.812
local terms energy: -167.255069
where:
bonds (distance) C4'-P energy: -40.205
bonds (distance) P-C4' energy: -51.345
flat angles C4'-P-C4' energy: -39.189
flat angles P-C4'-P energy: -22.562
tors. eta vs tors. theta energy: -13.954
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: 1, replica: 7
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -1037.546740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.546740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.546740 (E_RNA)
where:
Base-Base interactions energy: -713.823
where: short stacking energy: -290.492
Base-Backbone interact. energy: -0.982
local terms energy: -322.741659
where:
bonds (distance) C4'-P energy: -61.143
bonds (distance) P-C4' energy: -61.591
flat angles C4'-P-C4' energy: -63.477
flat angles P-C4'-P energy: -42.501
tors. eta vs tors. theta energy: -94.030
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: 328
Temperature: 0.950000
Total energy: -953.459029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.459029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.459029 (E_RNA)
where:
Base-Base interactions energy: -643.334
where: short stacking energy: -287.180
Base-Backbone interact. energy: -2.134
local terms energy: -307.990980
where:
bonds (distance) C4'-P energy: -58.616
bonds (distance) P-C4' energy: -53.181
flat angles C4'-P-C4' energy: -67.496
flat angles P-C4'-P energy: -40.385
tors. eta vs tors. theta energy: -88.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -984.660948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.660948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.660948 (E_RNA)
where:
Base-Base interactions energy: -666.873
where: short stacking energy: -284.076
Base-Backbone interact. energy: -0.885
local terms energy: -316.902360
where:
bonds (distance) C4'-P energy: -60.987
bonds (distance) P-C4' energy: -60.946
flat angles C4'-P-C4' energy: -67.159
flat angles P-C4'-P energy: -36.244
tors. eta vs tors. theta energy: -91.567
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: 4, replica: 2
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -891.548638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.548638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.548638 (E_RNA)
where:
Base-Base interactions energy: -603.849
where: short stacking energy: -256.657
Base-Backbone interact. energy: -0.624
local terms energy: -287.075731
where:
bonds (distance) C4'-P energy: -52.600
bonds (distance) P-C4' energy: -56.681
flat angles C4'-P-C4' energy: -51.989
flat angles P-C4'-P energy: -42.796
tors. eta vs tors. theta energy: -83.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -825.158674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.158674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.158674 (E_RNA)
where:
Base-Base interactions energy: -572.721
where: short stacking energy: -247.765
Base-Backbone interact. energy: 2.428
local terms energy: -254.865417
where:
bonds (distance) C4'-P energy: -47.404
bonds (distance) P-C4' energy: -47.047
flat angles C4'-P-C4' energy: -55.953
flat angles P-C4'-P energy: -28.859
tors. eta vs tors. theta energy: -75.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -750.363784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.363784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.363784 (E_RNA)
where:
Base-Base interactions energy: -493.406
where: short stacking energy: -215.146
Base-Backbone interact. energy: -2.404
local terms energy: -254.553106
where:
bonds (distance) C4'-P energy: -54.432
bonds (distance) P-C4' energy: -39.505
flat angles C4'-P-C4' energy: -61.973
flat angles P-C4'-P energy: -37.218
tors. eta vs tors. theta energy: -61.424
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: 1
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -739.291992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.291992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.291992 (E_RNA)
where:
Base-Base interactions energy: -504.903
where: short stacking energy: -211.233
Base-Backbone interact. energy: 1.881
local terms energy: -236.270544
where:
bonds (distance) C4'-P energy: -41.483
bonds (distance) P-C4' energy: -53.270
flat angles C4'-P-C4' energy: -54.392
flat angles P-C4'-P energy: -23.906
tors. eta vs tors. theta energy: -63.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -606.541787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -606.541787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -606.541787 (E_RNA)
where:
Base-Base interactions energy: -399.798
where: short stacking energy: -166.622
Base-Backbone interact. energy: 5.876
local terms energy: -212.620163
where:
bonds (distance) C4'-P energy: -50.377
bonds (distance) P-C4' energy: -51.374
flat angles C4'-P-C4' energy: -44.365
flat angles P-C4'-P energy: -36.880
tors. eta vs tors. theta energy: -29.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -492.722880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.722880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.722880 (E_RNA)
where:
Base-Base interactions energy: -305.814
where: short stacking energy: -161.865
Base-Backbone interact. energy: -1.814
local terms energy: -185.094573
where:
bonds (distance) C4'-P energy: -42.580
bonds (distance) P-C4' energy: -42.234
flat angles C4'-P-C4' energy: -45.744
flat angles P-C4'-P energy: -29.798
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -402.475282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -402.475282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -402.475282 (E_RNA)
where:
Base-Base interactions energy: -239.875
where: short stacking energy: -115.526
Base-Backbone interact. energy: 4.789
local terms energy: -167.388798
where:
bonds (distance) C4'-P energy: -35.782
bonds (distance) P-C4' energy: -51.644
flat angles C4'-P-C4' energy: -36.442
flat angles P-C4'-P energy: -32.433
tors. eta vs tors. theta energy: -11.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1063.271761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.271761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.271761 (E_RNA)
where:
Base-Base interactions energy: -742.554
where: short stacking energy: -298.046
Base-Backbone interact. energy: -2.273
local terms energy: -318.444713
where:
bonds (distance) C4'-P energy: -64.412
bonds (distance) P-C4' energy: -57.818
flat angles C4'-P-C4' energy: -57.127
flat angles P-C4'-P energy: -41.239
tors. eta vs tors. theta energy: -97.849
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: 4
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1001.134732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.134732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.134732 (E_RNA)
where:
Base-Base interactions energy: -687.546
where: short stacking energy: -300.484
Base-Backbone interact. energy: -0.367
local terms energy: -313.220964
where:
bonds (distance) C4'-P energy: -48.153
bonds (distance) P-C4' energy: -59.907
flat angles C4'-P-C4' energy: -69.807
flat angles P-C4'-P energy: -42.335
tors. eta vs tors. theta energy: -93.018
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: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -927.097068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.097068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.097068 (E_RNA)
where:
Base-Base interactions energy: -628.332
where: short stacking energy: -293.407
Base-Backbone interact. energy: -1.343
local terms energy: -297.421495
where:
bonds (distance) C4'-P energy: -46.804
bonds (distance) P-C4' energy: -53.394
flat angles C4'-P-C4' energy: -59.931
flat angles P-C4'-P energy: -47.004
tors. eta vs tors. theta energy: -90.289
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: 2
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -890.271465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.271465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.271465 (E_RNA)
where:
Base-Base interactions energy: -601.188
where: short stacking energy: -269.744
Base-Backbone interact. energy: -1.451
local terms energy: -287.632881
where:
bonds (distance) C4'-P energy: -57.156
bonds (distance) P-C4' energy: -49.057
flat angles C4'-P-C4' energy: -63.263
flat angles P-C4'-P energy: -33.486
tors. eta vs tors. theta energy: -84.670
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: 5, replica: 5
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -833.058135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.058135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.058135 (E_RNA)
where:
Base-Base interactions energy: -559.786
where: short stacking energy: -246.891
Base-Backbone interact. energy: -1.909
local terms energy: -271.363545
where:
bonds (distance) C4'-P energy: -58.086
bonds (distance) P-C4' energy: -55.517
flat angles C4'-P-C4' energy: -48.616
flat angles P-C4'-P energy: -35.835
tors. eta vs tors. theta energy: -73.309
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: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -807.327820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.327820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.327820 (E_RNA)
where:
Base-Base interactions energy: -554.752
where: short stacking energy: -253.399
Base-Backbone interact. energy: 2.422
local terms energy: -254.997608
where:
bonds (distance) C4'-P energy: -43.284
bonds (distance) P-C4' energy: -55.797
flat angles C4'-P-C4' energy: -49.401
flat angles P-C4'-P energy: -35.585
tors. eta vs tors. theta energy: -70.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -744.713356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.713356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.713356 (E_RNA)
where:
Base-Base interactions energy: -510.711
where: short stacking energy: -217.338
Base-Backbone interact. energy: 1.700
local terms energy: -235.702468
where:
bonds (distance) C4'-P energy: -49.952
bonds (distance) P-C4' energy: -45.848
flat angles C4'-P-C4' energy: -52.641
flat angles P-C4'-P energy: -30.471
tors. eta vs tors. theta energy: -56.791
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: 8, replica: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -627.157711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.157711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.157711 (E_RNA)
where:
Base-Base interactions energy: -416.333
where: short stacking energy: -174.438
Base-Backbone interact. energy: 0.072
local terms energy: -210.897125
where:
bonds (distance) C4'-P energy: -46.226
bonds (distance) P-C4' energy: -51.321
flat angles C4'-P-C4' energy: -46.965
flat angles P-C4'-P energy: -30.923
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: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -451.219297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.219297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.219297 (E_RNA)
where:
Base-Base interactions energy: -244.468
where: short stacking energy: -102.141
Base-Backbone interact. energy: -1.392
local terms energy: -205.359152
where:
bonds (distance) C4'-P energy: -52.046
bonds (distance) P-C4' energy: -59.796
flat angles C4'-P-C4' energy: -41.131
flat angles P-C4'-P energy: -29.862
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -431.089072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.089072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.089072 (E_RNA)
where:
Base-Base interactions energy: -258.560
where: short stacking energy: -124.358
Base-Backbone interact. energy: 1.383
local terms energy: -173.912838
where:
bonds (distance) C4'-P energy: -45.335
bonds (distance) P-C4' energy: -44.872
flat angles C4'-P-C4' energy: -49.490
flat angles P-C4'-P energy: -23.715
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1056.446625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.446625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.446625 (E_RNA)
where:
Base-Base interactions energy: -736.975
where: short stacking energy: -296.478
Base-Backbone interact. energy: -2.786
local terms energy: -316.686375
where:
bonds (distance) C4'-P energy: -60.520
bonds (distance) P-C4' energy: -59.566
flat angles C4'-P-C4' energy: -64.424
flat angles P-C4'-P energy: -40.679
tors. eta vs tors. theta energy: -91.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1006.289555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.289555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.289555 (E_RNA)
where:
Base-Base interactions energy: -699.290
where: short stacking energy: -287.696
Base-Backbone interact. energy: -0.506
local terms energy: -306.493785
where:
bonds (distance) C4'-P energy: -52.595
bonds (distance) P-C4' energy: -58.595
flat angles C4'-P-C4' energy: -63.528
flat angles P-C4'-P energy: -38.947
tors. eta vs tors. theta energy: -92.828
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: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -938.514597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.514597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.514597 (E_RNA)
where:
Base-Base interactions energy: -646.278
where: short stacking energy: -276.452
Base-Backbone interact. energy: -1.384
local terms energy: -290.852887
where:
bonds (distance) C4'-P energy: -54.994
bonds (distance) P-C4' energy: -48.539
flat angles C4'-P-C4' energy: -63.168
flat angles P-C4'-P energy: -43.036
tors. eta vs tors. theta energy: -81.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -902.015615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.015615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.015615 (E_RNA)
where:
Base-Base interactions energy: -611.451
where: short stacking energy: -271.932
Base-Backbone interact. energy: -2.014
local terms energy: -288.550950
where:
bonds (distance) C4'-P energy: -55.721
bonds (distance) P-C4' energy: -49.503
flat angles C4'-P-C4' energy: -61.394
flat angles P-C4'-P energy: -42.674
tors. eta vs tors. theta energy: -79.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -846.942780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.942780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.942780 (E_RNA)
where:
Base-Base interactions energy: -582.174
where: short stacking energy: -254.948
Base-Backbone interact. energy: -1.497
local terms energy: -263.271548
where:
bonds (distance) C4'-P energy: -51.376
bonds (distance) P-C4' energy: -44.152
flat angles C4'-P-C4' energy: -53.296
flat angles P-C4'-P energy: -42.794
tors. eta vs tors. theta energy: -71.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -806.288177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.288177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.288177 (E_RNA)
where:
Base-Base interactions energy: -545.129
where: short stacking energy: -255.953
Base-Backbone interact. energy: -0.938
local terms energy: -260.221693
where:
bonds (distance) C4'-P energy: -48.933
bonds (distance) P-C4' energy: -43.260
flat angles C4'-P-C4' energy: -58.857
flat angles P-C4'-P energy: -39.599
tors. eta vs tors. theta energy: -69.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -739.143998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.143998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.143998 (E_RNA)
where:
Base-Base interactions energy: -509.995
where: short stacking energy: -214.712
Base-Backbone interact. energy: -0.632
local terms energy: -228.516306
where:
bonds (distance) C4'-P energy: -46.285
bonds (distance) P-C4' energy: -53.508
flat angles C4'-P-C4' energy: -47.176
flat angles P-C4'-P energy: -27.274
tors. eta vs tors. theta energy: -54.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -663.637140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -663.637140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -663.637140 (E_RNA)
where:
Base-Base interactions energy: -423.340
where: short stacking energy: -185.381
Base-Backbone interact. energy: -0.391
local terms energy: -239.905840
where:
bonds (distance) C4'-P energy: -52.297
bonds (distance) P-C4' energy: -50.950
flat angles C4'-P-C4' energy: -61.153
flat angles P-C4'-P energy: -31.102
tors. eta vs tors. theta energy: -44.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -450.255108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.255108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.255108 (E_RNA)
where:
Base-Base interactions energy: -249.400
where: short stacking energy: -122.633
Base-Backbone interact. energy: -2.379
local terms energy: -198.476116
where:
bonds (distance) C4'-P energy: -54.109
bonds (distance) P-C4' energy: -38.095
flat angles C4'-P-C4' energy: -46.147
flat angles P-C4'-P energy: -36.516
tors. eta vs tors. theta energy: -23.609
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: 6
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -441.872758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.872758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.872758 (E_RNA)
where:
Base-Base interactions energy: -286.911
where: short stacking energy: -150.221
Base-Backbone interact. energy: 1.965
local terms energy: -156.927018
where:
bonds (distance) C4'-P energy: -33.360
bonds (distance) P-C4' energy: -40.307
flat angles C4'-P-C4' energy: -39.546
flat angles P-C4'-P energy: -24.799
tors. eta vs tors. theta energy: -18.916
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: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1040.761278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.761278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.761278 (E_RNA)
where:
Base-Base interactions energy: -729.214
where: short stacking energy: -295.988
Base-Backbone interact. energy: -3.641
local terms energy: -307.907023
where:
bonds (distance) C4'-P energy: -49.826
bonds (distance) P-C4' energy: -58.499
flat angles C4'-P-C4' energy: -64.026
flat angles P-C4'-P energy: -40.131
tors. eta vs tors. theta energy: -95.425
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: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -998.740222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.740222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.740222 (E_RNA)
where:
Base-Base interactions energy: -688.200
where: short stacking energy: -302.597
Base-Backbone interact. energy: -1.132
local terms energy: -309.408610
where:
bonds (distance) C4'-P energy: -56.118
bonds (distance) P-C4' energy: -54.904
flat angles C4'-P-C4' energy: -61.582
flat angles P-C4'-P energy: -43.251
tors. eta vs tors. theta energy: -93.554
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: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -923.648553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.648553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.648553 (E_RNA)
where:
Base-Base interactions energy: -625.876
where: short stacking energy: -267.851
Base-Backbone interact. energy: -0.491
local terms energy: -297.281155
where:
bonds (distance) C4'-P energy: -50.337
bonds (distance) P-C4' energy: -61.126
flat angles C4'-P-C4' energy: -67.180
flat angles P-C4'-P energy: -44.045
tors. eta vs tors. theta energy: -74.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -879.349662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.349662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.349662 (E_RNA)
where:
Base-Base interactions energy: -618.636
where: short stacking energy: -264.404
Base-Backbone interact. energy: 0.818
local terms energy: -261.531822
where:
bonds (distance) C4'-P energy: -46.051
bonds (distance) P-C4' energy: -44.058
flat angles C4'-P-C4' energy: -62.974
flat angles P-C4'-P energy: -36.389
tors. eta vs tors. theta energy: -72.060
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: 5, replica: 2
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -876.953601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.953601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.953601 (E_RNA)
where:
Base-Base interactions energy: -600.672
where: short stacking energy: -272.931
Base-Backbone interact. energy: -0.901
local terms energy: -275.380898
where:
bonds (distance) C4'-P energy: -49.859
bonds (distance) P-C4' energy: -56.967
flat angles C4'-P-C4' energy: -57.005
flat angles P-C4'-P energy: -31.178
tors. eta vs tors. theta energy: -80.372
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: 10
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -755.586262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.586262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.586262 (E_RNA)
where:
Base-Base interactions energy: -504.815
where: short stacking energy: -224.621
Base-Backbone interact. energy: -0.089
local terms energy: -250.682279
where:
bonds (distance) C4'-P energy: -44.987
bonds (distance) P-C4' energy: -54.461
flat angles C4'-P-C4' energy: -54.953
flat angles P-C4'-P energy: -36.434
tors. eta vs tors. theta energy: -59.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -760.461991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.461991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.461991 (E_RNA)
where:
Base-Base interactions energy: -527.127
where: short stacking energy: -227.018
Base-Backbone interact. energy: -0.573
local terms energy: -232.762392
where:
bonds (distance) C4'-P energy: -45.057
bonds (distance) P-C4' energy: -40.831
flat angles C4'-P-C4' energy: -53.369
flat angles P-C4'-P energy: -30.283
tors. eta vs tors. theta energy: -63.223
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: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -628.525135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -628.525135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -628.525135 (E_RNA)
where:
Base-Base interactions energy: -411.816
where: short stacking energy: -189.950
Base-Backbone interact. energy: 0.992
local terms energy: -217.700660
where:
bonds (distance) C4'-P energy: -45.549
bonds (distance) P-C4' energy: -49.738
flat angles C4'-P-C4' energy: -51.416
flat angles P-C4'-P energy: -32.319
tors. eta vs tors. theta energy: -38.678
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: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -455.184050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.184050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.184050 (E_RNA)
where:
Base-Base interactions energy: -273.368
where: short stacking energy: -135.244
Base-Backbone interact. energy: -2.229
local terms energy: -179.586477
where:
bonds (distance) C4'-P energy: -42.498
bonds (distance) P-C4' energy: -57.374
flat angles C4'-P-C4' energy: -47.506
flat angles P-C4'-P energy: -16.848
tors. eta vs tors. theta energy: -15.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -447.920248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.920248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.920248 (E_RNA)
where:
Base-Base interactions energy: -257.682
where: short stacking energy: -140.134
Base-Backbone interact. energy: 3.585
local terms energy: -193.823946
where:
bonds (distance) C4'-P energy: -36.695
bonds (distance) P-C4' energy: -49.302
flat angles C4'-P-C4' energy: -45.322
flat angles P-C4'-P energy: -37.538
tors. eta vs tors. theta energy: -24.967
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: 1, replica: 7
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1045.820996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.820996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.820996 (E_RNA)
where:
Base-Base interactions energy: -732.142
where: short stacking energy: -314.069
Base-Backbone interact. energy: -1.824
local terms energy: -311.855347
where:
bonds (distance) C4'-P energy: -53.426
bonds (distance) P-C4' energy: -55.650
flat angles C4'-P-C4' energy: -63.081
flat angles P-C4'-P energy: -47.695
tors. eta vs tors. theta energy: -92.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1013.634998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.634998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.634998 (E_RNA)
where:
Base-Base interactions energy: -688.768
where: short stacking energy: -300.526
Base-Backbone interact. energy: -0.479
local terms energy: -324.388104
where:
bonds (distance) C4'-P energy: -57.437
bonds (distance) P-C4' energy: -56.917
flat angles C4'-P-C4' energy: -63.585
flat angles P-C4'-P energy: -50.008
tors. eta vs tors. theta energy: -96.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -917.222774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.222774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.222774 (E_RNA)
where:
Base-Base interactions energy: -633.724
where: short stacking energy: -267.879
Base-Backbone interact. energy: -0.965
local terms energy: -282.533852
where:
bonds (distance) C4'-P energy: -50.720
bonds (distance) P-C4' energy: -54.051
flat angles C4'-P-C4' energy: -53.165
flat angles P-C4'-P energy: -40.447
tors. eta vs tors. theta energy: -84.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -863.854616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.854616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.854616 (E_RNA)
where:
Base-Base interactions energy: -589.610
where: short stacking energy: -250.514
Base-Backbone interact. energy: -0.921
local terms energy: -273.323818
where:
bonds (distance) C4'-P energy: -47.079
bonds (distance) P-C4' energy: -55.737
flat angles C4'-P-C4' energy: -55.515
flat angles P-C4'-P energy: -42.785
tors. eta vs tors. theta energy: -72.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -856.790216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.790216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.790216 (E_RNA)
where:
Base-Base interactions energy: -569.521
where: short stacking energy: -247.724
Base-Backbone interact. energy: -1.827
local terms energy: -285.442881
where:
bonds (distance) C4'-P energy: -50.846
bonds (distance) P-C4' energy: -57.203
flat angles C4'-P-C4' energy: -54.513
flat angles P-C4'-P energy: -43.193
tors. eta vs tors. theta energy: -79.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -767.866054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.866054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.866054 (E_RNA)
where:
Base-Base interactions energy: -509.073
where: short stacking energy: -243.630
Base-Backbone interact. energy: -0.156
local terms energy: -258.636760
where:
bonds (distance) C4'-P energy: -45.156
bonds (distance) P-C4' energy: -55.490
flat angles C4'-P-C4' energy: -52.418
flat angles P-C4'-P energy: -31.239
tors. eta vs tors. theta energy: -74.333
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: 7, replica: 5
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -738.984728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.984728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.984728 (E_RNA)
where:
Base-Base interactions energy: -506.513
where: short stacking energy: -200.253
Base-Backbone interact. energy: -0.299
local terms energy: -232.172908
where:
bonds (distance) C4'-P energy: -46.591
bonds (distance) P-C4' energy: -43.889
flat angles C4'-P-C4' energy: -62.971
flat angles P-C4'-P energy: -23.503
tors. eta vs tors. theta energy: -55.218
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: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -654.004029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.004029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.004029 (E_RNA)
where:
Base-Base interactions energy: -412.123
where: short stacking energy: -190.873
Base-Backbone interact. energy: -1.043
local terms energy: -240.837759
where:
bonds (distance) C4'-P energy: -56.498
bonds (distance) P-C4' energy: -51.904
flat angles C4'-P-C4' energy: -51.167
flat angles P-C4'-P energy: -31.137
tors. eta vs tors. theta energy: -50.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -466.359645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.359645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.359645 (E_RNA)
where:
Base-Base interactions energy: -257.231
where: short stacking energy: -137.915
Base-Backbone interact. energy: -0.633
local terms energy: -208.494803
where:
bonds (distance) C4'-P energy: -52.468
bonds (distance) P-C4' energy: -54.635
flat angles C4'-P-C4' energy: -55.033
flat angles P-C4'-P energy: -21.275
tors. eta vs tors. theta energy: -25.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -406.959806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.959806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.959806 (E_RNA)
where:
Base-Base interactions energy: -225.177
where: short stacking energy: -104.135
Base-Backbone interact. energy: -2.326
local terms energy: -179.456550
where:
bonds (distance) C4'-P energy: -46.973
bonds (distance) P-C4' energy: -52.047
flat angles C4'-P-C4' energy: -44.761
flat angles P-C4'-P energy: -29.700
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1035.641550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.641550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.641550 (E_RNA)
where:
Base-Base interactions energy: -737.266
where: short stacking energy: -301.504
Base-Backbone interact. energy: -0.692
local terms energy: -297.683496
where:
bonds (distance) C4'-P energy: -46.136
bonds (distance) P-C4' energy: -65.969
flat angles C4'-P-C4' energy: -59.319
flat angles P-C4'-P energy: -37.584
tors. eta vs tors. theta energy: -88.675
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: 2, replica: 4
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -1011.208888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.208888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.208888 (E_RNA)
where:
Base-Base interactions energy: -704.470
where: short stacking energy: -296.750
Base-Backbone interact. energy: -2.065
local terms energy: -304.673667
where:
bonds (distance) C4'-P energy: -52.352
bonds (distance) P-C4' energy: -54.503
flat angles C4'-P-C4' energy: -60.907
flat angles P-C4'-P energy: -42.073
tors. eta vs tors. theta energy: -94.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -934.733785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -934.733785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -934.733785 (E_RNA)
where:
Base-Base interactions energy: -636.306
where: short stacking energy: -275.997
Base-Backbone interact. energy: -1.850
local terms energy: -296.577972
where:
bonds (distance) C4'-P energy: -50.605
bonds (distance) P-C4' energy: -56.759
flat angles C4'-P-C4' energy: -57.721
flat angles P-C4'-P energy: -42.525
tors. eta vs tors. theta energy: -88.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -869.692700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.692700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.692700 (E_RNA)
where:
Base-Base interactions energy: -585.974
where: short stacking energy: -265.533
Base-Backbone interact. energy: -2.469
local terms energy: -281.250053
where:
bonds (distance) C4'-P energy: -54.941
bonds (distance) P-C4' energy: -59.242
flat angles C4'-P-C4' energy: -54.085
flat angles P-C4'-P energy: -36.880
tors. eta vs tors. theta energy: -76.103
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: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -839.562569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.562569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.562569 (E_RNA)
where:
Base-Base interactions energy: -569.329
where: short stacking energy: -251.036
Base-Backbone interact. energy: -1.453
local terms energy: -268.779984
where:
bonds (distance) C4'-P energy: -49.052
bonds (distance) P-C4' energy: -50.434
flat angles C4'-P-C4' energy: -58.370
flat angles P-C4'-P energy: -36.528
tors. eta vs tors. theta energy: -74.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -748.646908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.646908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.646908 (E_RNA)
where:
Base-Base interactions energy: -483.083
where: short stacking energy: -201.650
Base-Backbone interact. energy: -0.164
local terms energy: -265.400193
where:
bonds (distance) C4'-P energy: -50.365
bonds (distance) P-C4' energy: -51.865
flat angles C4'-P-C4' energy: -61.059
flat angles P-C4'-P energy: -35.167
tors. eta vs tors. theta energy: -66.945
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: 5
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -751.635590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.635590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.635590 (E_RNA)
where:
Base-Base interactions energy: -503.463
where: short stacking energy: -227.347
Base-Backbone interact. energy: 1.096
local terms energy: -249.268490
where:
bonds (distance) C4'-P energy: -53.350
bonds (distance) P-C4' energy: -46.934
flat angles C4'-P-C4' energy: -55.587
flat angles P-C4'-P energy: -27.573
tors. eta vs tors. theta energy: -65.825
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: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -675.792435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.792435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.792435 (E_RNA)
where:
Base-Base interactions energy: -469.256
where: short stacking energy: -196.724
Base-Backbone interact. energy: -2.703
local terms energy: -203.833054
where:
bonds (distance) C4'-P energy: -40.463
bonds (distance) P-C4' energy: -49.476
flat angles C4'-P-C4' energy: -46.029
flat angles P-C4'-P energy: -26.270
tors. eta vs tors. theta energy: -41.595
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: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -481.749123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.749123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.749123 (E_RNA)
where:
Base-Base interactions energy: -278.335
where: short stacking energy: -126.135
Base-Backbone interact. energy: -1.389
local terms energy: -202.025454
where:
bonds (distance) C4'-P energy: -48.449
bonds (distance) P-C4' energy: -53.926
flat angles C4'-P-C4' energy: -55.135
flat angles P-C4'-P energy: -30.544
tors. eta vs tors. theta energy: -13.971
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: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -332.957494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -332.957494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -332.957494 (E_RNA)
where:
Base-Base interactions energy: -179.633
where: short stacking energy: -103.080
Base-Backbone interact. energy: -1.027
local terms energy: -152.297571
where:
bonds (distance) C4'-P energy: -35.340
bonds (distance) P-C4' energy: -46.856
flat angles C4'-P-C4' energy: -35.887
flat angles P-C4'-P energy: -31.923
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1026.503569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.503569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.503569 (E_RNA)
where:
Base-Base interactions energy: -711.891
where: short stacking energy: -287.148
Base-Backbone interact. energy: -0.262
local terms energy: -314.350787
where:
bonds (distance) C4'-P energy: -55.189
bonds (distance) P-C4' energy: -60.285
flat angles C4'-P-C4' energy: -65.196
flat angles P-C4'-P energy: -41.115
tors. eta vs tors. theta energy: -92.567
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: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -998.821551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.821551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.821551 (E_RNA)
where:
Base-Base interactions energy: -698.660
where: short stacking energy: -301.686
Base-Backbone interact. energy: -1.745
local terms energy: -298.416371
where:
bonds (distance) C4'-P energy: -55.754
bonds (distance) P-C4' energy: -52.748
flat angles C4'-P-C4' energy: -62.000
flat angles P-C4'-P energy: -32.235
tors. eta vs tors. theta energy: -95.679
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: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -918.513198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.513198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.513198 (E_RNA)
where:
Base-Base interactions energy: -637.079
where: short stacking energy: -274.281
Base-Backbone interact. energy: 1.892
local terms energy: -283.325677
where:
bonds (distance) C4'-P energy: -55.825
bonds (distance) P-C4' energy: -59.520
flat angles C4'-P-C4' energy: -51.294
flat angles P-C4'-P energy: -37.979
tors. eta vs tors. theta energy: -78.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -892.565879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.565879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.565879 (E_RNA)
where:
Base-Base interactions energy: -606.002
where: short stacking energy: -275.029
Base-Backbone interact. energy: -0.400
local terms energy: -286.163633
where:
bonds (distance) C4'-P energy: -46.762
bonds (distance) P-C4' energy: -54.588
flat angles C4'-P-C4' energy: -64.371
flat angles P-C4'-P energy: -37.234
tors. eta vs tors. theta energy: -83.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -861.255325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.255325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.255325 (E_RNA)
where:
Base-Base interactions energy: -583.717
where: short stacking energy: -264.067
Base-Backbone interact. energy: -0.728
local terms energy: -276.810040
where:
bonds (distance) C4'-P energy: -56.991
bonds (distance) P-C4' energy: -48.688
flat angles C4'-P-C4' energy: -55.818
flat angles P-C4'-P energy: -36.664
tors. eta vs tors. theta energy: -78.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -753.697065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.697065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.697065 (E_RNA)
where:
Base-Base interactions energy: -498.369
where: short stacking energy: -213.043
Base-Backbone interact. energy: -1.628
local terms energy: -253.699967
where:
bonds (distance) C4'-P energy: -47.133
bonds (distance) P-C4' energy: -54.152
flat angles C4'-P-C4' energy: -57.843
flat angles P-C4'-P energy: -33.755
tors. eta vs tors. theta energy: -60.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -676.877440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.877440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.877440 (E_RNA)
where:
Base-Base interactions energy: -434.972
where: short stacking energy: -193.438
Base-Backbone interact. energy: -0.140
local terms energy: -241.765473
where:
bonds (distance) C4'-P energy: -41.043
bonds (distance) P-C4' energy: -54.106
flat angles C4'-P-C4' energy: -53.899
flat angles P-C4'-P energy: -37.101
tors. eta vs tors. theta energy: -55.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -764.436047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.436047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.436047 (E_RNA)
where:
Base-Base interactions energy: -507.015
where: short stacking energy: -215.459
Base-Backbone interact. energy: -0.268
local terms energy: -257.152788
where:
bonds (distance) C4'-P energy: -43.512
bonds (distance) P-C4' energy: -47.742
flat angles C4'-P-C4' energy: -58.377
flat angles P-C4'-P energy: -40.413
tors. eta vs tors. theta energy: -67.109
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: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -459.407996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.407996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.407996 (E_RNA)
where:
Base-Base interactions energy: -268.936
where: short stacking energy: -132.380
Base-Backbone interact. energy: -0.617
local terms energy: -189.855388
where:
bonds (distance) C4'-P energy: -39.238
bonds (distance) P-C4' energy: -57.367
flat angles C4'-P-C4' energy: -39.057
flat angles P-C4'-P energy: -27.315
tors. eta vs tors. theta energy: -26.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -349.756243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.756243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.756243 (E_RNA)
where:
Base-Base interactions energy: -189.650
where: short stacking energy: -107.383
Base-Backbone interact. energy: -2.043
local terms energy: -158.063369
where:
bonds (distance) C4'-P energy: -48.143
bonds (distance) P-C4' energy: -54.548
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -2.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1041.725403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.725403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.725403 (E_RNA)
where:
Base-Base interactions energy: -725.135
where: short stacking energy: -293.384
Base-Backbone interact. energy: -2.760
local terms energy: -313.830349
where:
bonds (distance) C4'-P energy: -57.390
bonds (distance) P-C4' energy: -60.700
flat angles C4'-P-C4' energy: -60.913
flat angles P-C4'-P energy: -43.990
tors. eta vs tors. theta energy: -90.837
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: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1006.969565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.969565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.969565 (E_RNA)
where:
Base-Base interactions energy: -695.828
where: short stacking energy: -298.455
Base-Backbone interact. energy: -0.600
local terms energy: -310.541158
where:
bonds (distance) C4'-P energy: -53.809
bonds (distance) P-C4' energy: -55.766
flat angles C4'-P-C4' energy: -63.463
flat angles P-C4'-P energy: -44.590
tors. eta vs tors. theta energy: -92.912
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: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -930.125641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.125641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.125641 (E_RNA)
where:
Base-Base interactions energy: -641.755
where: short stacking energy: -277.090
Base-Backbone interact. energy: -0.343
local terms energy: -288.028212
where:
bonds (distance) C4'-P energy: -43.639
bonds (distance) P-C4' energy: -55.865
flat angles C4'-P-C4' energy: -64.326
flat angles P-C4'-P energy: -45.232
tors. eta vs tors. theta energy: -78.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -908.878367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.878367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.878367 (E_RNA)
where:
Base-Base interactions energy: -634.099
where: short stacking energy: -271.889
Base-Backbone interact. energy: -1.818
local terms energy: -272.961506
where:
bonds (distance) C4'-P energy: -46.791
bonds (distance) P-C4' energy: -50.774
flat angles C4'-P-C4' energy: -58.523
flat angles P-C4'-P energy: -38.481
tors. eta vs tors. theta energy: -78.393
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: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -853.464761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.464761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.464761 (E_RNA)
where:
Base-Base interactions energy: -570.918
where: short stacking energy: -249.103
Base-Backbone interact. energy: -0.186
local terms energy: -282.361010
where:
bonds (distance) C4'-P energy: -58.025
bonds (distance) P-C4' energy: -53.733
flat angles C4'-P-C4' energy: -58.822
flat angles P-C4'-P energy: -38.453
tors. eta vs tors. theta energy: -73.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -771.154947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.154947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.154947 (E_RNA)
where:
Base-Base interactions energy: -515.450
where: short stacking energy: -245.677
Base-Backbone interact. energy: -0.542
local terms energy: -255.162704
where:
bonds (distance) C4'-P energy: -44.636
bonds (distance) P-C4' energy: -47.077
flat angles C4'-P-C4' energy: -52.923
flat angles P-C4'-P energy: -38.223
tors. eta vs tors. theta energy: -72.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -665.187997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.187997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.187997 (E_RNA)
where:
Base-Base interactions energy: -425.966
where: short stacking energy: -202.565
Base-Backbone interact. energy: -1.352
local terms energy: -237.870045
where:
bonds (distance) C4'-P energy: -49.671
bonds (distance) P-C4' energy: -52.527
flat angles C4'-P-C4' energy: -49.123
flat angles P-C4'-P energy: -32.656
tors. eta vs tors. theta energy: -53.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -739.702936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.702936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.702936 (E_RNA)
where:
Base-Base interactions energy: -491.573
where: short stacking energy: -210.924
Base-Backbone interact. energy: -0.625
local terms energy: -247.505400
where:
bonds (distance) C4'-P energy: -57.210
bonds (distance) P-C4' energy: -55.765
flat angles C4'-P-C4' energy: -53.054
flat angles P-C4'-P energy: -28.199
tors. eta vs tors. theta energy: -53.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -447.259345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.259345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.259345 (E_RNA)
where:
Base-Base interactions energy: -252.468
where: short stacking energy: -122.173
Base-Backbone interact. energy: 1.274
local terms energy: -196.065706
where:
bonds (distance) C4'-P energy: -56.339
bonds (distance) P-C4' energy: -42.031
flat angles C4'-P-C4' energy: -50.832
flat angles P-C4'-P energy: -26.490
tors. eta vs tors. theta energy: -20.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -352.130590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.130590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.130590 (E_RNA)
where:
Base-Base interactions energy: -173.539
where: short stacking energy: -83.870
Base-Backbone interact. energy: 2.793
local terms energy: -181.384659
where:
bonds (distance) C4'-P energy: -42.061
bonds (distance) P-C4' energy: -56.099
flat angles C4'-P-C4' energy: -47.191
flat angles P-C4'-P energy: -33.550
tors. eta vs tors. theta energy: -2.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1049.216441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.216441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.216441 (E_RNA)
where:
Base-Base interactions energy: -740.431
where: short stacking energy: -307.751
Base-Backbone interact. energy: -1.734
local terms energy: -307.051222
where:
bonds (distance) C4'-P energy: -42.671
bonds (distance) P-C4' energy: -58.512
flat angles C4'-P-C4' energy: -65.418
flat angles P-C4'-P energy: -40.461
tors. eta vs tors. theta energy: -99.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -988.071513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.071513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.071513 (E_RNA)
where:
Base-Base interactions energy: -683.223
where: short stacking energy: -280.498
Base-Backbone interact. energy: -3.011
local terms energy: -301.837498
where:
bonds (distance) C4'-P energy: -55.647
bonds (distance) P-C4' energy: -60.864
flat angles C4'-P-C4' energy: -61.483
flat angles P-C4'-P energy: -38.270
tors. eta vs tors. theta energy: -85.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -933.024119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.024119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.024119 (E_RNA)
where:
Base-Base interactions energy: -631.070
where: short stacking energy: -263.644
Base-Backbone interact. energy: -0.880
local terms energy: -301.074108
where:
bonds (distance) C4'-P energy: -56.273
bonds (distance) P-C4' energy: -58.777
flat angles C4'-P-C4' energy: -61.683
flat angles P-C4'-P energy: -45.158
tors. eta vs tors. theta energy: -79.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -916.820605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.820605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.820605 (E_RNA)
where:
Base-Base interactions energy: -611.578
where: short stacking energy: -279.324
Base-Backbone interact. energy: -3.874
local terms energy: -301.368425
where:
bonds (distance) C4'-P energy: -60.508
bonds (distance) P-C4' energy: -45.374
flat angles C4'-P-C4' energy: -68.102
flat angles P-C4'-P energy: -38.939
tors. eta vs tors. theta energy: -88.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -860.980347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.980347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.980347 (E_RNA)
where:
Base-Base interactions energy: -573.837
where: short stacking energy: -259.904
Base-Backbone interact. energy: -0.519
local terms energy: -286.623894
where:
bonds (distance) C4'-P energy: -50.043
bonds (distance) P-C4' energy: -56.636
flat angles C4'-P-C4' energy: -49.669
flat angles P-C4'-P energy: -50.517
tors. eta vs tors. theta energy: -79.760
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: 6, replica: 10
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -779.798690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.798690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.798690 (E_RNA)
where:
Base-Base interactions energy: -528.944
where: short stacking energy: -242.370
Base-Backbone interact. energy: 0.199
local terms energy: -251.054246
where:
bonds (distance) C4'-P energy: -40.438
bonds (distance) P-C4' energy: -44.136
flat angles C4'-P-C4' energy: -53.823
flat angles P-C4'-P energy: -42.579
tors. eta vs tors. theta energy: -70.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -740.031259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.031259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.031259 (E_RNA)
where:
Base-Base interactions energy: -497.099
where: short stacking energy: -206.591
Base-Backbone interact. energy: 2.890
local terms energy: -245.821908
where:
bonds (distance) C4'-P energy: -44.914
bonds (distance) P-C4' energy: -54.514
flat angles C4'-P-C4' energy: -53.981
flat angles P-C4'-P energy: -34.401
tors. eta vs tors. theta energy: -58.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -647.153362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.153362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.153362 (E_RNA)
where:
Base-Base interactions energy: -426.654
where: short stacking energy: -207.618
Base-Backbone interact. energy: 0.597
local terms energy: -221.096706
where:
bonds (distance) C4'-P energy: -45.266
bonds (distance) P-C4' energy: -47.225
flat angles C4'-P-C4' energy: -41.518
flat angles P-C4'-P energy: -40.388
tors. eta vs tors. theta energy: -46.700
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: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -451.714011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.714011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.714011 (E_RNA)
where:
Base-Base interactions energy: -255.725
where: short stacking energy: -127.295
Base-Backbone interact. energy: 1.729
local terms energy: -197.717778
where:
bonds (distance) C4'-P energy: -43.128
bonds (distance) P-C4' energy: -52.508
flat angles C4'-P-C4' energy: -46.914
flat angles P-C4'-P energy: -36.151
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -357.317871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.317871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.317871 (E_RNA)
where:
Base-Base interactions energy: -192.179
where: short stacking energy: -102.211
Base-Backbone interact. energy: 1.453
local terms energy: -166.591801
where:
bonds (distance) C4'-P energy: -38.914
bonds (distance) P-C4' energy: -51.607
flat angles C4'-P-C4' energy: -43.807
flat angles P-C4'-P energy: -24.802
tors. eta vs tors. theta energy: -7.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1045.654874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.654874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.654874 (E_RNA)
where:
Base-Base interactions energy: -732.051
where: short stacking energy: -311.110
Base-Backbone interact. energy: 0.123
local terms energy: -313.726985
where:
bonds (distance) C4'-P energy: -55.240
bonds (distance) P-C4' energy: -56.137
flat angles C4'-P-C4' energy: -65.812
flat angles P-C4'-P energy: -39.532
tors. eta vs tors. theta energy: -97.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -987.116581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.116581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.116581 (E_RNA)
where:
Base-Base interactions energy: -690.899
where: short stacking energy: -287.312
Base-Backbone interact. energy: 1.013
local terms energy: -297.230354
where:
bonds (distance) C4'-P energy: -51.255
bonds (distance) P-C4' energy: -53.738
flat angles C4'-P-C4' energy: -59.102
flat angles P-C4'-P energy: -40.203
tors. eta vs tors. theta energy: -92.933
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: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -925.418126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.418126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.418126 (E_RNA)
where:
Base-Base interactions energy: -633.385
where: short stacking energy: -271.021
Base-Backbone interact. energy: 1.336
local terms energy: -293.369121
where:
bonds (distance) C4'-P energy: -56.914
bonds (distance) P-C4' energy: -54.303
flat angles C4'-P-C4' energy: -64.256
flat angles P-C4'-P energy: -37.637
tors. eta vs tors. theta energy: -80.259
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: 4, replica: 1
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -884.755416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.755416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.755416 (E_RNA)
where:
Base-Base interactions energy: -627.190
where: short stacking energy: -257.150
Base-Backbone interact. energy: -2.060
local terms energy: -255.505202
where:
bonds (distance) C4'-P energy: -39.183
bonds (distance) P-C4' energy: -50.255
flat angles C4'-P-C4' energy: -55.509
flat angles P-C4'-P energy: -39.251
tors. eta vs tors. theta energy: -71.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -884.565294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.565294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.565294 (E_RNA)
where:
Base-Base interactions energy: -603.292
where: short stacking energy: -264.695
Base-Backbone interact. energy: -0.125
local terms energy: -281.148608
where:
bonds (distance) C4'-P energy: -57.995
bonds (distance) P-C4' energy: -45.534
flat angles C4'-P-C4' energy: -59.622
flat angles P-C4'-P energy: -45.685
tors. eta vs tors. theta energy: -72.312
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: 10
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -769.082242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.082242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.082242 (E_RNA)
where:
Base-Base interactions energy: -500.617
where: short stacking energy: -220.378
Base-Backbone interact. energy: -1.659
local terms energy: -266.805641
where:
bonds (distance) C4'-P energy: -50.093
bonds (distance) P-C4' energy: -58.229
flat angles C4'-P-C4' energy: -57.955
flat angles P-C4'-P energy: -39.581
tors. eta vs tors. theta energy: -60.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -744.528994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.528994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.528994 (E_RNA)
where:
Base-Base interactions energy: -500.526
where: short stacking energy: -220.013
Base-Backbone interact. energy: -1.786
local terms energy: -242.217145
where:
bonds (distance) C4'-P energy: -45.737
bonds (distance) P-C4' energy: -54.082
flat angles C4'-P-C4' energy: -47.993
flat angles P-C4'-P energy: -35.019
tors. eta vs tors. theta energy: -59.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -573.782880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.782880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.782880 (E_RNA)
where:
Base-Base interactions energy: -364.874
where: short stacking energy: -169.107
Base-Backbone interact. energy: 0.132
local terms energy: -209.040772
where:
bonds (distance) C4'-P energy: -41.467
bonds (distance) P-C4' energy: -48.827
flat angles C4'-P-C4' energy: -49.373
flat angles P-C4'-P energy: -35.694
tors. eta vs tors. theta energy: -33.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -433.506457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.506457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.506457 (E_RNA)
where:
Base-Base interactions energy: -257.226
where: short stacking energy: -118.511
Base-Backbone interact. energy: -1.547
local terms energy: -174.733052
where:
bonds (distance) C4'-P energy: -43.317
bonds (distance) P-C4' energy: -52.670
flat angles C4'-P-C4' energy: -41.919
flat angles P-C4'-P energy: -30.068
tors. eta vs tors. theta energy: -6.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -421.733482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -421.733482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -421.733482 (E_RNA)
where:
Base-Base interactions energy: -238.195
where: short stacking energy: -127.501
Base-Backbone interact. energy: 1.624
local terms energy: -185.162916
where:
bonds (distance) C4'-P energy: -44.357
bonds (distance) P-C4' energy: -47.360
flat angles C4'-P-C4' energy: -43.696
flat angles P-C4'-P energy: -33.377
tors. eta vs tors. theta energy: -16.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1047.938081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.938081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.938081 (E_RNA)
where:
Base-Base interactions energy: -726.254
where: short stacking energy: -289.884
Base-Backbone interact. energy: -2.730
local terms energy: -318.954575
where:
bonds (distance) C4'-P energy: -56.656
bonds (distance) P-C4' energy: -56.491
flat angles C4'-P-C4' energy: -67.082
flat angles P-C4'-P energy: -44.160
tors. eta vs tors. theta energy: -94.565
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: 4
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1007.914597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.914597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.914597 (E_RNA)
where:
Base-Base interactions energy: -707.049
where: short stacking energy: -286.606
Base-Backbone interact. energy: -1.342
local terms energy: -299.523857
where:
bonds (distance) C4'-P energy: -54.513
bonds (distance) P-C4' energy: -60.378
flat angles C4'-P-C4' energy: -54.528
flat angles P-C4'-P energy: -40.166
tors. eta vs tors. theta energy: -89.938
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: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -927.793907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.793907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.793907 (E_RNA)
where:
Base-Base interactions energy: -641.589
where: short stacking energy: -288.169
Base-Backbone interact. energy: -0.904
local terms energy: -285.300577
where:
bonds (distance) C4'-P energy: -44.348
bonds (distance) P-C4' energy: -55.468
flat angles C4'-P-C4' energy: -63.905
flat angles P-C4'-P energy: -40.556
tors. eta vs tors. theta energy: -81.024
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: 1
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -876.374872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.374872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.374872 (E_RNA)
where:
Base-Base interactions energy: -584.900
where: short stacking energy: -261.389
Base-Backbone interact. energy: -0.299
local terms energy: -291.176055
where:
bonds (distance) C4'-P energy: -63.279
bonds (distance) P-C4' energy: -54.318
flat angles C4'-P-C4' energy: -63.415
flat angles P-C4'-P energy: -36.248
tors. eta vs tors. theta energy: -73.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -870.325539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.325539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.325539 (E_RNA)
where:
Base-Base interactions energy: -600.578
where: short stacking energy: -266.952
Base-Backbone interact. energy: -0.963
local terms energy: -268.784308
where:
bonds (distance) C4'-P energy: -44.380
bonds (distance) P-C4' energy: -42.660
flat angles C4'-P-C4' energy: -54.490
flat angles P-C4'-P energy: -43.490
tors. eta vs tors. theta energy: -83.764
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: 10
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -778.649150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.649150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.649150 (E_RNA)
where:
Base-Base interactions energy: -535.249
where: short stacking energy: -223.437
Base-Backbone interact. energy: 1.112
local terms energy: -244.512749
where:
bonds (distance) C4'-P energy: -50.214
bonds (distance) P-C4' energy: -50.421
flat angles C4'-P-C4' energy: -44.621
flat angles P-C4'-P energy: -37.782
tors. eta vs tors. theta energy: -61.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -782.472951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.472951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.472951 (E_RNA)
where:
Base-Base interactions energy: -552.049
where: short stacking energy: -226.154
Base-Backbone interact. energy: -0.175
local terms energy: -230.248846
where:
bonds (distance) C4'-P energy: -50.378
bonds (distance) P-C4' energy: -46.661
flat angles C4'-P-C4' energy: -47.581
flat angles P-C4'-P energy: -21.980
tors. eta vs tors. theta energy: -63.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -571.390698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.390698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.390698 (E_RNA)
where:
Base-Base interactions energy: -360.320
where: short stacking energy: -164.125
Base-Backbone interact. energy: -1.088
local terms energy: -209.982832
where:
bonds (distance) C4'-P energy: -47.951
bonds (distance) P-C4' energy: -45.237
flat angles C4'-P-C4' energy: -45.480
flat angles P-C4'-P energy: -34.864
tors. eta vs tors. theta energy: -36.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -451.879201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.879201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.879201 (E_RNA)
where:
Base-Base interactions energy: -258.293
where: short stacking energy: -120.618
Base-Backbone interact. energy: 4.394
local terms energy: -197.980144
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -58.662
flat angles C4'-P-C4' energy: -48.584
flat angles P-C4'-P energy: -35.017
tors. eta vs tors. theta energy: -9.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -456.862685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.862685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.862685 (E_RNA)
where:
Base-Base interactions energy: -276.994
where: short stacking energy: -132.431
Base-Backbone interact. energy: -0.209
local terms energy: -179.658900
where:
bonds (distance) C4'-P energy: -48.501
bonds (distance) P-C4' energy: -42.944
flat angles C4'-P-C4' energy: -51.892
flat angles P-C4'-P energy: -20.920
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1048.144951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.144951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.144951 (E_RNA)
where:
Base-Base interactions energy: -719.698
where: short stacking energy: -309.917
Base-Backbone interact. energy: -0.232
local terms energy: -328.214857
where:
bonds (distance) C4'-P energy: -54.589
bonds (distance) P-C4' energy: -59.492
flat angles C4'-P-C4' energy: -68.202
flat angles P-C4'-P energy: -45.772
tors. eta vs tors. theta energy: -100.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -954.009785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.009785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.009785 (E_RNA)
where:
Base-Base interactions energy: -646.321
where: short stacking energy: -291.450
Base-Backbone interact. energy: -1.559
local terms energy: -306.129602
where:
bonds (distance) C4'-P energy: -59.625
bonds (distance) P-C4' energy: -62.443
flat angles C4'-P-C4' energy: -55.428
flat angles P-C4'-P energy: -45.765
tors. eta vs tors. theta energy: -82.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -984.631948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.631948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.631948 (E_RNA)
where:
Base-Base interactions energy: -686.035
where: short stacking energy: -290.107
Base-Backbone interact. energy: -0.776
local terms energy: -297.821617
where:
bonds (distance) C4'-P energy: -48.751
bonds (distance) P-C4' energy: -59.929
flat angles C4'-P-C4' energy: -59.772
flat angles P-C4'-P energy: -35.983
tors. eta vs tors. theta energy: -93.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -884.653221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.653221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.653221 (E_RNA)
where:
Base-Base interactions energy: -581.272
where: short stacking energy: -246.845
Base-Backbone interact. energy: -1.055
local terms energy: -302.326693
where:
bonds (distance) C4'-P energy: -50.615
bonds (distance) P-C4' energy: -62.989
flat angles C4'-P-C4' energy: -59.140
flat angles P-C4'-P energy: -52.788
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: 5, replica: 1
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -859.726486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.726486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.726486 (E_RNA)
where:
Base-Base interactions energy: -575.717
where: short stacking energy: -241.525
Base-Backbone interact. energy: -0.857
local terms energy: -283.153114
where:
bonds (distance) C4'-P energy: -50.978
bonds (distance) P-C4' energy: -57.763
flat angles C4'-P-C4' energy: -55.590
flat angles P-C4'-P energy: -45.856
tors. eta vs tors. theta energy: -72.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -803.131952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.131952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.131952 (E_RNA)
where:
Base-Base interactions energy: -551.898
where: short stacking energy: -242.405
Base-Backbone interact. energy: -2.693
local terms energy: -248.541703
where:
bonds (distance) C4'-P energy: -48.241
bonds (distance) P-C4' energy: -49.971
flat angles C4'-P-C4' energy: -56.868
flat angles P-C4'-P energy: -25.001
tors. eta vs tors. theta energy: -68.460
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: 10
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -722.507112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.507112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.507112 (E_RNA)
where:
Base-Base interactions energy: -487.664
where: short stacking energy: -204.126
Base-Backbone interact. energy: -2.557
local terms energy: -232.286297
where:
bonds (distance) C4'-P energy: -46.654
bonds (distance) P-C4' energy: -42.704
flat angles C4'-P-C4' energy: -49.606
flat angles P-C4'-P energy: -27.304
tors. eta vs tors. theta energy: -66.018
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: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -559.517281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.517281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.517281 (E_RNA)
where:
Base-Base interactions energy: -353.590
where: short stacking energy: -177.032
Base-Backbone interact. energy: -1.450
local terms energy: -204.477584
where:
bonds (distance) C4'-P energy: -44.239
bonds (distance) P-C4' energy: -54.040
flat angles C4'-P-C4' energy: -35.689
flat angles P-C4'-P energy: -31.943
tors. eta vs tors. theta energy: -38.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -437.333722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.333722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.333722 (E_RNA)
where:
Base-Base interactions energy: -255.116
where: short stacking energy: -117.158
Base-Backbone interact. energy: -1.010
local terms energy: -181.207027
where:
bonds (distance) C4'-P energy: -48.321
bonds (distance) P-C4' energy: -46.193
flat angles C4'-P-C4' energy: -42.536
flat angles P-C4'-P energy: -30.959
tors. eta vs tors. theta energy: -13.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -445.271313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.271313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.271313 (E_RNA)
where:
Base-Base interactions energy: -275.783
where: short stacking energy: -117.671
Base-Backbone interact. energy: -0.382
local terms energy: -169.106112
where:
bonds (distance) C4'-P energy: -46.691
bonds (distance) P-C4' energy: -39.455
flat angles C4'-P-C4' energy: -37.245
flat angles P-C4'-P energy: -25.212
tors. eta vs tors. theta energy: -20.503
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: 7
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1049.333722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.333722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.333722 (E_RNA)
where:
Base-Base interactions energy: -730.148
where: short stacking energy: -294.464
Base-Backbone interact. energy: -0.405
local terms energy: -318.780872
where:
bonds (distance) C4'-P energy: -51.530
bonds (distance) P-C4' energy: -56.866
flat angles C4'-P-C4' energy: -67.743
flat angles P-C4'-P energy: -46.693
tors. eta vs tors. theta energy: -95.949
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: 340
Temperature: 0.950000
Total energy: -945.956564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.956564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.956564 (E_RNA)
where:
Base-Base interactions energy: -647.983
where: short stacking energy: -295.780
Base-Backbone interact. energy: -0.503
local terms energy: -297.470719
where:
bonds (distance) C4'-P energy: -55.980
bonds (distance) P-C4' energy: -57.297
flat angles C4'-P-C4' energy: -57.688
flat angles P-C4'-P energy: -40.460
tors. eta vs tors. theta energy: -86.045
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: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -995.447527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.447527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.447527 (E_RNA)
where:
Base-Base interactions energy: -674.545
where: short stacking energy: -288.125
Base-Backbone interact. energy: 1.337
local terms energy: -322.239765
where:
bonds (distance) C4'-P energy: -62.873
bonds (distance) P-C4' energy: -57.451
flat angles C4'-P-C4' energy: -68.291
flat angles P-C4'-P energy: -45.231
tors. eta vs tors. theta energy: -88.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -851.108332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.108332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.108332 (E_RNA)
where:
Base-Base interactions energy: -568.158
where: short stacking energy: -249.871
Base-Backbone interact. energy: -0.603
local terms energy: -282.347724
where:
bonds (distance) C4'-P energy: -59.195
bonds (distance) P-C4' energy: -55.314
flat angles C4'-P-C4' energy: -59.532
flat angles P-C4'-P energy: -30.233
tors. eta vs tors. theta energy: -78.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -859.418790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.418790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.418790 (E_RNA)
where:
Base-Base interactions energy: -585.757
where: short stacking energy: -240.890
Base-Backbone interact. energy: 0.162
local terms energy: -273.823955
where:
bonds (distance) C4'-P energy: -53.681
bonds (distance) P-C4' energy: -56.928
flat angles C4'-P-C4' energy: -56.637
flat angles P-C4'-P energy: -41.662
tors. eta vs tors. theta energy: -64.917
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: 6, replica: 5
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -792.423068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.423068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.423068 (E_RNA)
where:
Base-Base interactions energy: -541.377
where: short stacking energy: -221.386
Base-Backbone interact. energy: 2.877
local terms energy: -253.922590
where:
bonds (distance) C4'-P energy: -48.585
bonds (distance) P-C4' energy: -52.434
flat angles C4'-P-C4' energy: -62.200
flat angles P-C4'-P energy: -27.446
tors. eta vs tors. theta energy: -63.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -598.653443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.653443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.653443 (E_RNA)
where:
Base-Base interactions energy: -385.284
where: short stacking energy: -181.996
Base-Backbone interact. energy: -0.705
local terms energy: -212.663947
where:
bonds (distance) C4'-P energy: -56.455
bonds (distance) P-C4' energy: -39.105
flat angles C4'-P-C4' energy: -40.039
flat angles P-C4'-P energy: -38.543
tors. eta vs tors. theta energy: -38.523
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: 10
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -714.429731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.429731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.429731 (E_RNA)
where:
Base-Base interactions energy: -474.958
where: short stacking energy: -197.854
Base-Backbone interact. energy: -1.960
local terms energy: -237.511713
where:
bonds (distance) C4'-P energy: -51.738
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -46.496
flat angles P-C4'-P energy: -34.156
tors. eta vs tors. theta energy: -52.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -449.690013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.690013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.690013 (E_RNA)
where:
Base-Base interactions energy: -272.944
where: short stacking energy: -113.855
Base-Backbone interact. energy: -1.256
local terms energy: -175.490261
where:
bonds (distance) C4'-P energy: -41.520
bonds (distance) P-C4' energy: -33.870
flat angles C4'-P-C4' energy: -55.079
flat angles P-C4'-P energy: -23.356
tors. eta vs tors. theta energy: -21.666
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: 6
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -420.376826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -420.376826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -420.376826 (E_RNA)
where:
Base-Base interactions energy: -229.051
where: short stacking energy: -90.114
Base-Backbone interact. energy: 0.342
local terms energy: -191.668608
where:
bonds (distance) C4'-P energy: -61.828
bonds (distance) P-C4' energy: -47.388
flat angles C4'-P-C4' energy: -45.437
flat angles P-C4'-P energy: -30.567
tors. eta vs tors. theta energy: -6.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1033.566319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.566319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.566319 (E_RNA)
where:
Base-Base interactions energy: -718.022
where: short stacking energy: -301.403
Base-Backbone interact. energy: -0.076
local terms energy: -315.467969
where:
bonds (distance) C4'-P energy: -55.932
bonds (distance) P-C4' energy: -58.549
flat angles C4'-P-C4' energy: -68.268
flat angles P-C4'-P energy: -36.928
tors. eta vs tors. theta energy: -95.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1009.467753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.467753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.467753 (E_RNA)
where:
Base-Base interactions energy: -693.551
where: short stacking energy: -302.540
Base-Backbone interact. energy: -0.689
local terms energy: -315.227845
where:
bonds (distance) C4'-P energy: -50.877
bonds (distance) P-C4' energy: -56.610
flat angles C4'-P-C4' energy: -66.093
flat angles P-C4'-P energy: -44.827
tors. eta vs tors. theta energy: -96.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -945.351808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.351808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.351808 (E_RNA)
where:
Base-Base interactions energy: -640.430
where: short stacking energy: -289.852
Base-Backbone interact. energy: -1.505
local terms energy: -303.416814
where:
bonds (distance) C4'-P energy: -59.675
bonds (distance) P-C4' energy: -55.679
flat angles C4'-P-C4' energy: -62.658
flat angles P-C4'-P energy: -39.610
tors. eta vs tors. theta energy: -85.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -847.539880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.539880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.539880 (E_RNA)
where:
Base-Base interactions energy: -564.249
where: short stacking energy: -247.754
Base-Backbone interact. energy: 0.009
local terms energy: -283.300521
where:
bonds (distance) C4'-P energy: -55.543
bonds (distance) P-C4' energy: -61.377
flat angles C4'-P-C4' energy: -61.341
flat angles P-C4'-P energy: -33.933
tors. eta vs tors. theta energy: -71.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -837.560791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.560791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.560791 (E_RNA)
where:
Base-Base interactions energy: -574.625
where: short stacking energy: -253.904
Base-Backbone interact. energy: -1.733
local terms energy: -261.203438
where:
bonds (distance) C4'-P energy: -50.125
bonds (distance) P-C4' energy: -49.946
flat angles C4'-P-C4' energy: -55.030
flat angles P-C4'-P energy: -41.248
tors. eta vs tors. theta energy: -64.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -794.410814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.410814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.410814 (E_RNA)
where:
Base-Base interactions energy: -549.970
where: short stacking energy: -246.902
Base-Backbone interact. energy: -0.421
local terms energy: -244.019616
where:
bonds (distance) C4'-P energy: -46.675
bonds (distance) P-C4' energy: -46.738
flat angles C4'-P-C4' energy: -61.998
flat angles P-C4'-P energy: -24.255
tors. eta vs tors. theta energy: -64.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -636.860390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.860390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.860390 (E_RNA)
where:
Base-Base interactions energy: -408.165
where: short stacking energy: -188.764
Base-Backbone interact. energy: -0.797
local terms energy: -227.897967
where:
bonds (distance) C4'-P energy: -28.840
bonds (distance) P-C4' energy: -61.428
flat angles C4'-P-C4' energy: -54.617
flat angles P-C4'-P energy: -36.607
tors. eta vs tors. theta energy: -46.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -714.844707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.844707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.844707 (E_RNA)
where:
Base-Base interactions energy: -476.606
where: short stacking energy: -205.697
Base-Backbone interact. energy: -1.534
local terms energy: -236.704828
where:
bonds (distance) C4'-P energy: -42.656
bonds (distance) P-C4' energy: -45.797
flat angles C4'-P-C4' energy: -55.003
flat angles P-C4'-P energy: -31.499
tors. eta vs tors. theta energy: -61.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -401.383304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.383304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.383304 (E_RNA)
where:
Base-Base interactions energy: -222.933
where: short stacking energy: -120.440
Base-Backbone interact. energy: -0.003
local terms energy: -178.446708
where:
bonds (distance) C4'-P energy: -40.475
bonds (distance) P-C4' energy: -44.243
flat angles C4'-P-C4' energy: -43.661
flat angles P-C4'-P energy: -32.288
tors. eta vs tors. theta energy: -17.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -438.603031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -438.603031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -438.603031 (E_RNA)
where:
Base-Base interactions energy: -268.548
where: short stacking energy: -131.113
Base-Backbone interact. energy: -1.247
local terms energy: -168.807832
where:
bonds (distance) C4'-P energy: -49.855
bonds (distance) P-C4' energy: -40.126
flat angles C4'-P-C4' energy: -45.096
flat angles P-C4'-P energy: -20.915
tors. eta vs tors. theta energy: -12.816
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: 1, replica: 4
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1031.173313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.173313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.173313 (E_RNA)
where:
Base-Base interactions energy: -708.826
where: short stacking energy: -300.670
Base-Backbone interact. energy: -1.160
local terms energy: -321.187469
where:
bonds (distance) C4'-P energy: -63.985
bonds (distance) P-C4' energy: -54.506
flat angles C4'-P-C4' energy: -65.788
flat angles P-C4'-P energy: -43.265
tors. eta vs tors. theta energy: -93.643
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: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1003.076613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.076613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.076613 (E_RNA)
where:
Base-Base interactions energy: -699.316
where: short stacking energy: -285.815
Base-Backbone interact. energy: -0.068
local terms energy: -303.691937
where:
bonds (distance) C4'-P energy: -50.901
bonds (distance) P-C4' energy: -50.988
flat angles C4'-P-C4' energy: -62.926
flat angles P-C4'-P energy: -49.875
tors. eta vs tors. theta energy: -89.003
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: 342
Temperature: 1.000000
Total energy: -938.267804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.267804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.267804 (E_RNA)
where:
Base-Base interactions energy: -643.560
where: short stacking energy: -292.688
Base-Backbone interact. energy: 2.313
local terms energy: -297.021538
where:
bonds (distance) C4'-P energy: -57.144
bonds (distance) P-C4' energy: -50.846
flat angles C4'-P-C4' energy: -56.510
flat angles P-C4'-P energy: -45.889
tors. eta vs tors. theta energy: -86.632
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: 2
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -849.106486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.106486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.106486 (E_RNA)
where:
Base-Base interactions energy: -558.932
where: short stacking energy: -256.330
Base-Backbone interact. energy: -0.308
local terms energy: -289.866515
where:
bonds (distance) C4'-P energy: -52.205
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -63.490
flat angles P-C4'-P energy: -48.875
tors. eta vs tors. theta energy: -74.527
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: 5, replica: 5
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -815.869499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.869499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.869499 (E_RNA)
where:
Base-Base interactions energy: -553.702
where: short stacking energy: -248.009
Base-Backbone interact. energy: -1.721
local terms energy: -260.446382
where:
bonds (distance) C4'-P energy: -49.295
bonds (distance) P-C4' energy: -49.312
flat angles C4'-P-C4' energy: -52.211
flat angles P-C4'-P energy: -37.676
tors. eta vs tors. theta energy: -71.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -815.384601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.384601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.384601 (E_RNA)
where:
Base-Base interactions energy: -562.135
where: short stacking energy: -248.999
Base-Backbone interact. energy: -0.733
local terms energy: -252.517302
where:
bonds (distance) C4'-P energy: -42.545
bonds (distance) P-C4' energy: -50.338
flat angles C4'-P-C4' energy: -56.538
flat angles P-C4'-P energy: -37.988
tors. eta vs tors. theta energy: -65.108
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: 10
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -680.445300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.445300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.445300 (E_RNA)
where:
Base-Base interactions energy: -444.685
where: short stacking energy: -196.259
Base-Backbone interact. energy: -1.549
local terms energy: -234.211495
where:
bonds (distance) C4'-P energy: -47.650
bonds (distance) P-C4' energy: -55.091
flat angles C4'-P-C4' energy: -62.801
flat angles P-C4'-P energy: -24.372
tors. eta vs tors. theta energy: -44.297
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: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -632.925332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.925332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.925332 (E_RNA)
where:
Base-Base interactions energy: -396.097
where: short stacking energy: -183.077
Base-Backbone interact. energy: -1.830
local terms energy: -234.998527
where:
bonds (distance) C4'-P energy: -56.832
bonds (distance) P-C4' energy: -53.561
flat angles C4'-P-C4' energy: -53.989
flat angles P-C4'-P energy: -29.300
tors. eta vs tors. theta energy: -41.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -488.707731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -488.707731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -488.707731 (E_RNA)
where:
Base-Base interactions energy: -281.260
where: short stacking energy: -143.838
Base-Backbone interact. energy: -0.600
local terms energy: -206.847545
where:
bonds (distance) C4'-P energy: -47.310
bonds (distance) P-C4' energy: -54.770
flat angles C4'-P-C4' energy: -46.320
flat angles P-C4'-P energy: -22.458
tors. eta vs tors. theta energy: -35.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -406.008623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -406.008623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -406.008623 (E_RNA)
where:
Base-Base interactions energy: -206.515
where: short stacking energy: -120.128
Base-Backbone interact. energy: -1.391
local terms energy: -198.102857
where:
bonds (distance) C4'-P energy: -45.829
bonds (distance) P-C4' energy: -60.719
flat angles C4'-P-C4' energy: -50.152
flat angles P-C4'-P energy: -31.536
tors. eta vs tors. theta energy: -9.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1027.879125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.879125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.879125 (E_RNA)
where:
Base-Base interactions energy: -710.020
where: short stacking energy: -306.562
Base-Backbone interact. energy: -0.746
local terms energy: -317.112842
where:
bonds (distance) C4'-P energy: -55.086
bonds (distance) P-C4' energy: -49.819
flat angles C4'-P-C4' energy: -66.241
flat angles P-C4'-P energy: -50.926
tors. eta vs tors. theta energy: -95.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1000.297139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.297139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.297139 (E_RNA)
where:
Base-Base interactions energy: -691.592
where: short stacking energy: -281.067
Base-Backbone interact. energy: -0.392
local terms energy: -308.313493
where:
bonds (distance) C4'-P energy: -52.128
bonds (distance) P-C4' energy: -56.248
flat angles C4'-P-C4' energy: -62.428
flat angles P-C4'-P energy: -45.225
tors. eta vs tors. theta energy: -92.285
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: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -937.434768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.434768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.434768 (E_RNA)
where:
Base-Base interactions energy: -639.053
where: short stacking energy: -276.013
Base-Backbone interact. energy: -1.138
local terms energy: -297.243815
where:
bonds (distance) C4'-P energy: -52.595
bonds (distance) P-C4' energy: -48.849
flat angles C4'-P-C4' energy: -65.649
flat angles P-C4'-P energy: -44.165
tors. eta vs tors. theta energy: -85.986
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: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -876.851499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.851499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.851499 (E_RNA)
where:
Base-Base interactions energy: -593.589
where: short stacking energy: -272.776
Base-Backbone interact. energy: -1.249
local terms energy: -282.013258
where:
bonds (distance) C4'-P energy: -48.795
bonds (distance) P-C4' energy: -48.261
flat angles C4'-P-C4' energy: -62.748
flat angles P-C4'-P energy: -43.265
tors. eta vs tors. theta energy: -78.945
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: 5
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -799.344309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.344309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.344309 (E_RNA)
where:
Base-Base interactions energy: -533.081
where: short stacking energy: -211.495
Base-Backbone interact. energy: -0.525
local terms energy: -265.738650
where:
bonds (distance) C4'-P energy: -52.694
bonds (distance) P-C4' energy: -59.546
flat angles C4'-P-C4' energy: -52.089
flat angles P-C4'-P energy: -39.950
tors. eta vs tors. theta energy: -61.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -838.122384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -838.122384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -838.122384 (E_RNA)
where:
Base-Base interactions energy: -580.317
where: short stacking energy: -234.747
Base-Backbone interact. energy: -0.311
local terms energy: -257.494320
where:
bonds (distance) C4'-P energy: -48.494
bonds (distance) P-C4' energy: -55.590
flat angles C4'-P-C4' energy: -51.913
flat angles P-C4'-P energy: -33.043
tors. eta vs tors. theta energy: -68.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -642.776433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.776433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.776433 (E_RNA)
where:
Base-Base interactions energy: -410.437
where: short stacking energy: -199.495
Base-Backbone interact. energy: -0.098
local terms energy: -232.240964
where:
bonds (distance) C4'-P energy: -47.920
bonds (distance) P-C4' energy: -44.766
flat angles C4'-P-C4' energy: -55.780
flat angles P-C4'-P energy: -35.986
tors. eta vs tors. theta energy: -47.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -587.790540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.790540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.790540 (E_RNA)
where:
Base-Base interactions energy: -359.355
where: short stacking energy: -169.963
Base-Backbone interact. energy: -1.019
local terms energy: -227.416330
where:
bonds (distance) C4'-P energy: -37.061
bonds (distance) P-C4' energy: -44.664
flat angles C4'-P-C4' energy: -54.389
flat angles P-C4'-P energy: -38.004
tors. eta vs tors. theta energy: -53.298
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: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -484.464903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -484.464903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -484.464903 (E_RNA)
where:
Base-Base interactions energy: -288.972
where: short stacking energy: -143.732
Base-Backbone interact. energy: -1.819
local terms energy: -193.673945
where:
bonds (distance) C4'-P energy: -45.558
bonds (distance) P-C4' energy: -39.874
flat angles C4'-P-C4' energy: -49.744
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -376.832550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -376.832550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -376.832550 (E_RNA)
where:
Base-Base interactions energy: -209.095
where: short stacking energy: -112.565
Base-Backbone interact. energy: 0.029
local terms energy: -167.766998
where:
bonds (distance) C4'-P energy: -47.918
bonds (distance) P-C4' energy: -45.524
flat angles C4'-P-C4' energy: -48.697
flat angles P-C4'-P energy: -21.319
tors. eta vs tors. theta energy: -4.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1036.112921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.112921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.112921 (E_RNA)
where:
Base-Base interactions energy: -708.529
where: short stacking energy: -307.592
Base-Backbone interact. energy: 0.394
local terms energy: -327.977981
where:
bonds (distance) C4'-P energy: -62.632
bonds (distance) P-C4' energy: -62.427
flat angles C4'-P-C4' energy: -65.840
flat angles P-C4'-P energy: -42.534
tors. eta vs tors. theta energy: -94.545
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: 4
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -991.422673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.422673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.422673 (E_RNA)
where:
Base-Base interactions energy: -690.030
where: short stacking energy: -297.258
Base-Backbone interact. energy: -0.257
local terms energy: -301.136171
where:
bonds (distance) C4'-P energy: -53.081
bonds (distance) P-C4' energy: -59.263
flat angles C4'-P-C4' energy: -60.304
flat angles P-C4'-P energy: -38.889
tors. eta vs tors. theta energy: -89.598
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: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -931.768349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.768349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.768349 (E_RNA)
where:
Base-Base interactions energy: -627.912
where: short stacking energy: -277.861
Base-Backbone interact. energy: -1.150
local terms energy: -302.705679
where:
bonds (distance) C4'-P energy: -55.686
bonds (distance) P-C4' energy: -66.983
flat angles C4'-P-C4' energy: -56.410
flat angles P-C4'-P energy: -36.079
tors. eta vs tors. theta energy: -87.548
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: 2
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -868.758871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.758871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.758871 (E_RNA)
where:
Base-Base interactions energy: -592.872
where: short stacking energy: -268.352
Base-Backbone interact. energy: -2.228
local terms energy: -273.658424
where:
bonds (distance) C4'-P energy: -39.229
bonds (distance) P-C4' energy: -53.951
flat angles C4'-P-C4' energy: -57.735
flat angles P-C4'-P energy: -38.322
tors. eta vs tors. theta energy: -84.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -861.228850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.228850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.228850 (E_RNA)
where:
Base-Base interactions energy: -570.025
where: short stacking energy: -259.214
Base-Backbone interact. energy: -0.830
local terms energy: -290.374237
where:
bonds (distance) C4'-P energy: -50.747
bonds (distance) P-C4' energy: -56.936
flat angles C4'-P-C4' energy: -62.761
flat angles P-C4'-P energy: -44.601
tors. eta vs tors. theta energy: -75.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -774.782811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.782811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.782811 (E_RNA)
where:
Base-Base interactions energy: -510.876
where: short stacking energy: -230.584
Base-Backbone interact. energy: -0.584
local terms energy: -263.322218
where:
bonds (distance) C4'-P energy: -51.255
bonds (distance) P-C4' energy: -52.734
flat angles C4'-P-C4' energy: -56.214
flat angles P-C4'-P energy: -36.315
tors. eta vs tors. theta energy: -66.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -618.097758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -618.097758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -618.097758 (E_RNA)
where:
Base-Base interactions energy: -395.997
where: short stacking energy: -176.815
Base-Backbone interact. energy: -1.714
local terms energy: -220.387202
where:
bonds (distance) C4'-P energy: -58.827
bonds (distance) P-C4' energy: -42.876
flat angles C4'-P-C4' energy: -52.529
flat angles P-C4'-P energy: -30.185
tors. eta vs tors. theta energy: -35.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -580.701325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.701325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.701325 (E_RNA)
where:
Base-Base interactions energy: -359.108
where: short stacking energy: -184.505
Base-Backbone interact. energy: 0.553
local terms energy: -222.146315
where:
bonds (distance) C4'-P energy: -54.435
bonds (distance) P-C4' energy: -39.530
flat angles C4'-P-C4' energy: -50.912
flat angles P-C4'-P energy: -30.386
tors. eta vs tors. theta energy: -46.884
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: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -460.738031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.738031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.738031 (E_RNA)
where:
Base-Base interactions energy: -264.186
where: short stacking energy: -119.150
Base-Backbone interact. energy: 0.477
local terms energy: -197.029209
where:
bonds (distance) C4'-P energy: -48.486
bonds (distance) P-C4' energy: -58.743
flat angles C4'-P-C4' energy: -42.469
flat angles P-C4'-P energy: -28.007
tors. eta vs tors. theta energy: -19.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -341.087005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.087005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.087005 (E_RNA)
where:
Base-Base interactions energy: -170.070
where: short stacking energy: -98.315
Base-Backbone interact. energy: -1.727
local terms energy: -169.289321
where:
bonds (distance) C4'-P energy: -56.764
bonds (distance) P-C4' energy: -46.421
flat angles C4'-P-C4' energy: -41.670
flat angles P-C4'-P energy: -23.738
tors. eta vs tors. theta energy: -0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1012.025283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.025283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.025283 (E_RNA)
where:
Base-Base interactions energy: -694.974
where: short stacking energy: -312.149
Base-Backbone interact. energy: -2.530
local terms energy: -314.521118
where:
bonds (distance) C4'-P energy: -60.909
bonds (distance) P-C4' energy: -56.881
flat angles C4'-P-C4' energy: -68.610
flat angles P-C4'-P energy: -39.127
tors. eta vs tors. theta energy: -88.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -970.142937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.142937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.142937 (E_RNA)
where:
Base-Base interactions energy: -661.815
where: short stacking energy: -300.682
Base-Backbone interact. energy: -3.872
local terms energy: -304.455918
where:
bonds (distance) C4'-P energy: -50.583
bonds (distance) P-C4' energy: -55.358
flat angles C4'-P-C4' energy: -67.877
flat angles P-C4'-P energy: -42.692
tors. eta vs tors. theta energy: -87.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -989.658796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.658796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.658796 (E_RNA)
where:
Base-Base interactions energy: -673.276
where: short stacking energy: -296.498
Base-Backbone interact. energy: -1.310
local terms energy: -315.072779
where:
bonds (distance) C4'-P energy: -55.404
bonds (distance) P-C4' energy: -51.777
flat angles C4'-P-C4' energy: -65.564
flat angles P-C4'-P energy: -50.106
tors. eta vs tors. theta energy: -92.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -895.344477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.344477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.344477 (E_RNA)
where:
Base-Base interactions energy: -622.909
where: short stacking energy: -273.969
Base-Backbone interact. energy: 0.030
local terms energy: -272.465739
where:
bonds (distance) C4'-P energy: -33.821
bonds (distance) P-C4' energy: -50.732
flat angles C4'-P-C4' energy: -66.082
flat angles P-C4'-P energy: -40.742
tors. eta vs tors. theta energy: -81.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -819.462101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.462101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.462101 (E_RNA)
where:
Base-Base interactions energy: -553.270
where: short stacking energy: -247.565
Base-Backbone interact. energy: -0.933
local terms energy: -265.258947
where:
bonds (distance) C4'-P energy: -45.231
bonds (distance) P-C4' energy: -51.051
flat angles C4'-P-C4' energy: -59.465
flat angles P-C4'-P energy: -32.715
tors. eta vs tors. theta energy: -76.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -777.951993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.951993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.951993 (E_RNA)
where:
Base-Base interactions energy: -526.318
where: short stacking energy: -233.733
Base-Backbone interact. energy: -1.942
local terms energy: -249.691365
where:
bonds (distance) C4'-P energy: -54.541
bonds (distance) P-C4' energy: -36.580
flat angles C4'-P-C4' energy: -47.394
flat angles P-C4'-P energy: -37.197
tors. eta vs tors. theta energy: -73.979
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: 345
Temperature: 1.200000
Total energy: -619.107328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.107328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.107328 (E_RNA)
where:
Base-Base interactions energy: -399.792
where: short stacking energy: -179.338
Base-Backbone interact. energy: -0.489
local terms energy: -218.826285
where:
bonds (distance) C4'-P energy: -42.901
bonds (distance) P-C4' energy: -47.599
flat angles C4'-P-C4' energy: -53.743
flat angles P-C4'-P energy: -34.906
tors. eta vs tors. theta energy: -39.677
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: 8, replica: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -592.545968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -592.545968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -592.545968 (E_RNA)
where:
Base-Base interactions energy: -364.061
where: short stacking energy: -157.075
Base-Backbone interact. energy: -2.012
local terms energy: -226.472954
where:
bonds (distance) C4'-P energy: -53.268
bonds (distance) P-C4' energy: -59.441
flat angles C4'-P-C4' energy: -45.904
flat angles P-C4'-P energy: -33.696
tors. eta vs tors. theta energy: -34.163
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: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -472.336636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -472.336636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -472.336636 (E_RNA)
where:
Base-Base interactions energy: -260.474
where: short stacking energy: -125.351
Base-Backbone interact. energy: -1.025
local terms energy: -210.837634
where:
bonds (distance) C4'-P energy: -48.008
bonds (distance) P-C4' energy: -50.770
flat angles C4'-P-C4' energy: -57.632
flat angles P-C4'-P energy: -38.346
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -339.048290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.048290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.048290 (E_RNA)
where:
Base-Base interactions energy: -183.909
where: short stacking energy: -101.136
Base-Backbone interact. energy: -2.527
local terms energy: -152.612302
where:
bonds (distance) C4'-P energy: -41.666
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -36.687
flat angles P-C4'-P energy: -20.569
tors. eta vs tors. theta energy: -3.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1036.435475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.435475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.435475 (E_RNA)
where:
Base-Base interactions energy: -714.210
where: short stacking energy: -312.040
Base-Backbone interact. energy: -1.225
local terms energy: -321.000515
where:
bonds (distance) C4'-P energy: -55.611
bonds (distance) P-C4' energy: -59.131
flat angles C4'-P-C4' energy: -65.783
flat angles P-C4'-P energy: -46.162
tors. eta vs tors. theta energy: -94.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -971.718517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.718517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.718517 (E_RNA)
where:
Base-Base interactions energy: -661.109
where: short stacking energy: -292.700
Base-Backbone interact. energy: -0.548
local terms energy: -310.061703
where:
bonds (distance) C4'-P energy: -59.172
bonds (distance) P-C4' energy: -55.540
flat angles C4'-P-C4' energy: -69.669
flat angles P-C4'-P energy: -38.453
tors. eta vs tors. theta energy: -87.229
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: 4
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -983.466116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.466116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.466116 (E_RNA)
where:
Base-Base interactions energy: -681.640
where: short stacking energy: -302.876
Base-Backbone interact. energy: -1.583
local terms energy: -300.243368
where:
bonds (distance) C4'-P energy: -52.368
bonds (distance) P-C4' energy: -57.955
flat angles C4'-P-C4' energy: -62.890
flat angles P-C4'-P energy: -31.657
tors. eta vs tors. theta energy: -95.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -885.517394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.517394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.517394 (E_RNA)
where:
Base-Base interactions energy: -599.520
where: short stacking energy: -257.069
Base-Backbone interact. energy: -1.275
local terms energy: -284.722452
where:
bonds (distance) C4'-P energy: -49.542
bonds (distance) P-C4' energy: -58.969
flat angles C4'-P-C4' energy: -62.852
flat angles P-C4'-P energy: -38.727
tors. eta vs tors. theta energy: -74.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -843.551648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.551648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.551648 (E_RNA)
where:
Base-Base interactions energy: -596.714
where: short stacking energy: -267.636
Base-Backbone interact. energy: -0.617
local terms energy: -246.220741
where:
bonds (distance) C4'-P energy: -52.597
bonds (distance) P-C4' energy: -44.317
flat angles C4'-P-C4' energy: -55.055
flat angles P-C4'-P energy: -27.658
tors. eta vs tors. theta energy: -66.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -754.898125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.898125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.898125 (E_RNA)
where:
Base-Base interactions energy: -511.693
where: short stacking energy: -223.015
Base-Backbone interact. energy: -1.334
local terms energy: -241.870924
where:
bonds (distance) C4'-P energy: -38.859
bonds (distance) P-C4' energy: -53.104
flat angles C4'-P-C4' energy: -60.346
flat angles P-C4'-P energy: -28.855
tors. eta vs tors. theta energy: -60.707
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: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -563.869221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.869221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.869221 (E_RNA)
where:
Base-Base interactions energy: -351.057
where: short stacking energy: -168.656
Base-Backbone interact. energy: -1.869
local terms energy: -210.943817
where:
bonds (distance) C4'-P energy: -41.546
bonds (distance) P-C4' energy: -41.534
flat angles C4'-P-C4' energy: -50.896
flat angles P-C4'-P energy: -37.336
tors. eta vs tors. theta energy: -39.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -607.694609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.694609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.694609 (E_RNA)
where:
Base-Base interactions energy: -397.467
where: short stacking energy: -173.747
Base-Backbone interact. energy: -0.190
local terms energy: -210.037404
where:
bonds (distance) C4'-P energy: -47.296
bonds (distance) P-C4' energy: -53.148
flat angles C4'-P-C4' energy: -43.064
flat angles P-C4'-P energy: -29.605
tors. eta vs tors. theta energy: -36.924
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: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -448.744693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.744693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.744693 (E_RNA)
where:
Base-Base interactions energy: -257.349
where: short stacking energy: -131.975
Base-Backbone interact. energy: -0.179
local terms energy: -191.216201
where:
bonds (distance) C4'-P energy: -48.338
bonds (distance) P-C4' energy: -46.640
flat angles C4'-P-C4' energy: -52.615
flat angles P-C4'-P energy: -27.298
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -370.098189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -370.098189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -370.098189 (E_RNA)
where:
Base-Base interactions energy: -203.102
where: short stacking energy: -117.281
Base-Backbone interact. energy: -3.032
local terms energy: -163.964681
where:
bonds (distance) C4'-P energy: -35.730
bonds (distance) P-C4' energy: -48.744
flat angles C4'-P-C4' energy: -39.534
flat angles P-C4'-P energy: -24.053
tors. eta vs tors. theta energy: -15.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1025.873219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.873219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.873219 (E_RNA)
where:
Base-Base interactions energy: -708.091
where: short stacking energy: -303.552
Base-Backbone interact. energy: -1.386
local terms energy: -316.396359
where:
bonds (distance) C4'-P energy: -49.565
bonds (distance) P-C4' energy: -64.303
flat angles C4'-P-C4' energy: -69.696
flat angles P-C4'-P energy: -37.192
tors. eta vs tors. theta energy: -95.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1002.176488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.176488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.176488 (E_RNA)
where:
Base-Base interactions energy: -689.701
where: short stacking energy: -312.426
Base-Backbone interact. energy: -1.080
local terms energy: -311.394582
where:
bonds (distance) C4'-P energy: -53.698
bonds (distance) P-C4' energy: -55.181
flat angles C4'-P-C4' energy: -68.420
flat angles P-C4'-P energy: -38.907
tors. eta vs tors. theta energy: -95.189
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: 347
Temperature: 1.000000
Total energy: -946.166163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.166163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.166163 (E_RNA)
where:
Base-Base interactions energy: -647.633
where: short stacking energy: -270.115
Base-Backbone interact. energy: -1.900
local terms energy: -296.633178
where:
bonds (distance) C4'-P energy: -51.140
bonds (distance) P-C4' energy: -56.194
flat angles C4'-P-C4' energy: -54.884
flat angles P-C4'-P energy: -42.763
tors. eta vs tors. theta energy: -91.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -881.291052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.291052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.291052 (E_RNA)
where:
Base-Base interactions energy: -585.324
where: short stacking energy: -266.010
Base-Backbone interact. energy: -1.483
local terms energy: -294.484834
where:
bonds (distance) C4'-P energy: -49.691
bonds (distance) P-C4' energy: -59.127
flat angles C4'-P-C4' energy: -65.126
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: -78.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -831.311534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.311534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.311534 (E_RNA)
where:
Base-Base interactions energy: -555.180
where: short stacking energy: -233.419
Base-Backbone interact. energy: -0.107
local terms energy: -276.024145
where:
bonds (distance) C4'-P energy: -57.167
bonds (distance) P-C4' energy: -55.836
flat angles C4'-P-C4' energy: -55.981
flat angles P-C4'-P energy: -37.539
tors. eta vs tors. theta energy: -69.502
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: 347
Temperature: 1.150000
Total energy: -794.918268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.918268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.918268 (E_RNA)
where:
Base-Base interactions energy: -532.177
where: short stacking energy: -228.013
Base-Backbone interact. energy: -0.680
local terms energy: -262.061852
where:
bonds (distance) C4'-P energy: -51.674
bonds (distance) P-C4' energy: -50.662
flat angles C4'-P-C4' energy: -56.457
flat angles P-C4'-P energy: -34.725
tors. eta vs tors. theta energy: -68.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -581.180451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.180451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.180451 (E_RNA)
where:
Base-Base interactions energy: -358.949
where: short stacking energy: -159.541
Base-Backbone interact. energy: -0.904
local terms energy: -221.327318
where:
bonds (distance) C4'-P energy: -53.554
bonds (distance) P-C4' energy: -48.599
flat angles C4'-P-C4' energy: -63.600
flat angles P-C4'-P energy: -23.073
tors. eta vs tors. theta energy: -32.501
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: 347
Temperature: 1.250000
Total energy: -574.480743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.480743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.480743 (E_RNA)
where:
Base-Base interactions energy: -366.254
where: short stacking energy: -171.216
Base-Backbone interact. energy: 5.077
local terms energy: -213.304206
where:
bonds (distance) C4'-P energy: -50.556
bonds (distance) P-C4' energy: -56.406
flat angles C4'-P-C4' energy: -48.851
flat angles P-C4'-P energy: -23.266
tors. eta vs tors. theta energy: -34.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -444.621056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -444.621056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -444.621056 (E_RNA)
where:
Base-Base interactions energy: -289.159
where: short stacking energy: -143.238
Base-Backbone interact. energy: 2.226
local terms energy: -157.687655
where:
bonds (distance) C4'-P energy: -36.694
bonds (distance) P-C4' energy: -43.096
flat angles C4'-P-C4' energy: -40.472
flat angles P-C4'-P energy: -20.587
tors. eta vs tors. theta energy: -16.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -360.575280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.575280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.575280 (E_RNA)
where:
Base-Base interactions energy: -190.570
where: short stacking energy: -97.053
Base-Backbone interact. energy: 2.092
local terms energy: -172.097227
where:
bonds (distance) C4'-P energy: -42.555
bonds (distance) P-C4' energy: -59.850
flat angles C4'-P-C4' energy: -41.481
flat angles P-C4'-P energy: -21.004
tors. eta vs tors. theta energy: -7.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1027.874421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.874421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.874421 (E_RNA)
where:
Base-Base interactions energy: -708.739
where: short stacking energy: -316.744
Base-Backbone interact. energy: -0.703
local terms energy: -318.431825
where:
bonds (distance) C4'-P energy: -59.398
bonds (distance) P-C4' energy: -45.918
flat angles C4'-P-C4' energy: -69.057
flat angles P-C4'-P energy: -46.220
tors. eta vs tors. theta energy: -97.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -982.426743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.426743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.426743 (E_RNA)
where:
Base-Base interactions energy: -678.727
where: short stacking energy: -283.360
Base-Backbone interact. energy: -1.628
local terms energy: -302.072031
where:
bonds (distance) C4'-P energy: -55.552
bonds (distance) P-C4' energy: -55.735
flat angles C4'-P-C4' energy: -68.227
flat angles P-C4'-P energy: -32.935
tors. eta vs tors. theta energy: -89.622
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: 348
Temperature: 1.000000
Total energy: -929.091398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.091398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.091398 (E_RNA)
where:
Base-Base interactions energy: -646.233
where: short stacking energy: -273.884
Base-Backbone interact. energy: -2.016
local terms energy: -280.843013
where:
bonds (distance) C4'-P energy: -49.375
bonds (distance) P-C4' energy: -53.577
flat angles C4'-P-C4' energy: -54.779
flat angles P-C4'-P energy: -44.357
tors. eta vs tors. theta energy: -78.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -866.562768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.562768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.562768 (E_RNA)
where:
Base-Base interactions energy: -587.293
where: short stacking energy: -261.203
Base-Backbone interact. energy: -0.728
local terms energy: -278.541442
where:
bonds (distance) C4'-P energy: -55.417
bonds (distance) P-C4' energy: -52.306
flat angles C4'-P-C4' energy: -53.023
flat angles P-C4'-P energy: -49.884
tors. eta vs tors. theta energy: -67.912
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: 348
Temperature: 1.100000
Total energy: -836.059259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.059259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.059259 (E_RNA)
where:
Base-Base interactions energy: -572.144
where: short stacking energy: -249.990
Base-Backbone interact. energy: -2.444
local terms energy: -261.470455
where:
bonds (distance) C4'-P energy: -53.738
bonds (distance) P-C4' energy: -61.007
flat angles C4'-P-C4' energy: -53.464
flat angles P-C4'-P energy: -26.689
tors. eta vs tors. theta energy: -66.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -827.253994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.253994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.253994 (E_RNA)
where:
Base-Base interactions energy: -547.300
where: short stacking energy: -236.033
Base-Backbone interact. energy: -0.718
local terms energy: -279.235803
where:
bonds (distance) C4'-P energy: -51.221
bonds (distance) P-C4' energy: -58.529
flat angles C4'-P-C4' energy: -55.640
flat angles P-C4'-P energy: -43.076
tors. eta vs tors. theta energy: -70.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -642.561604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.561604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.561604 (E_RNA)
where:
Base-Base interactions energy: -422.575
where: short stacking energy: -205.240
Base-Backbone interact. energy: 0.263
local terms energy: -220.249217
where:
bonds (distance) C4'-P energy: -36.914
bonds (distance) P-C4' energy: -50.315
flat angles C4'-P-C4' energy: -45.791
flat angles P-C4'-P energy: -35.544
tors. eta vs tors. theta energy: -51.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -549.442947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -549.442947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -549.442947 (E_RNA)
where:
Base-Base interactions energy: -352.639
where: short stacking energy: -142.838
Base-Backbone interact. energy: -0.948
local terms energy: -195.856114
where:
bonds (distance) C4'-P energy: -45.469
bonds (distance) P-C4' energy: -45.625
flat angles C4'-P-C4' energy: -49.911
flat angles P-C4'-P energy: -31.303
tors. eta vs tors. theta energy: -23.547
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: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -463.100484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.100484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.100484 (E_RNA)
where:
Base-Base interactions energy: -279.487
where: short stacking energy: -129.943
Base-Backbone interact. energy: -1.289
local terms energy: -182.324116
where:
bonds (distance) C4'-P energy: -46.114
bonds (distance) P-C4' energy: -41.218
flat angles C4'-P-C4' energy: -47.181
flat angles P-C4'-P energy: -24.271
tors. eta vs tors. theta energy: -23.540
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: 348
Temperature: 1.350000
Total energy: -354.821705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.821705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.821705 (E_RNA)
where:
Base-Base interactions energy: -191.207
where: short stacking energy: -98.257
Base-Backbone interact. energy: 1.107
local terms energy: -164.721531
where:
bonds (distance) C4'-P energy: -38.693
bonds (distance) P-C4' energy: -54.598
flat angles C4'-P-C4' energy: -43.116
flat angles P-C4'-P energy: -23.888
tors. eta vs tors. theta energy: -4.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1009.201759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.201759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.201759 (E_RNA)
where:
Base-Base interactions energy: -698.782
where: short stacking energy: -301.686
Base-Backbone interact. energy: -0.417
local terms energy: -310.002487
where:
bonds (distance) C4'-P energy: -57.439
bonds (distance) P-C4' energy: -56.402
flat angles C4'-P-C4' energy: -67.831
flat angles P-C4'-P energy: -41.222
tors. eta vs tors. theta energy: -87.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -995.793278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.793278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.793278 (E_RNA)
where:
Base-Base interactions energy: -684.184
where: short stacking energy: -309.321
Base-Backbone interact. energy: -0.801
local terms energy: -310.808488
where:
bonds (distance) C4'-P energy: -59.531
bonds (distance) P-C4' energy: -54.237
flat angles C4'-P-C4' energy: -62.840
flat angles P-C4'-P energy: -42.067
tors. eta vs tors. theta energy: -92.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -949.250659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.250659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.250659 (E_RNA)
where:
Base-Base interactions energy: -653.921
where: short stacking energy: -281.276
Base-Backbone interact. energy: -3.178
local terms energy: -292.151255
where:
bonds (distance) C4'-P energy: -54.472
bonds (distance) P-C4' energy: -49.885
flat angles C4'-P-C4' energy: -61.415
flat angles P-C4'-P energy: -47.173
tors. eta vs tors. theta energy: -79.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -880.195582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.195582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.195582 (E_RNA)
where:
Base-Base interactions energy: -599.640
where: short stacking energy: -264.770
Base-Backbone interact. energy: -0.659
local terms energy: -279.897511
where:
bonds (distance) C4'-P energy: -46.817
bonds (distance) P-C4' energy: -51.590
flat angles C4'-P-C4' energy: -62.831
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -82.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -823.370919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.370919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.370919 (E_RNA)
where:
Base-Base interactions energy: -551.105
where: short stacking energy: -251.622
Base-Backbone interact. energy: 0.579
local terms energy: -272.844850
where:
bonds (distance) C4'-P energy: -57.447
bonds (distance) P-C4' energy: -53.622
flat angles C4'-P-C4' energy: -46.631
flat angles P-C4'-P energy: -42.155
tors. eta vs tors. theta energy: -72.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -814.856810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.856810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.856810 (E_RNA)
where:
Base-Base interactions energy: -545.454
where: short stacking energy: -246.019
Base-Backbone interact. energy: 2.883
local terms energy: -272.285049
where:
bonds (distance) C4'-P energy: -56.436
bonds (distance) P-C4' energy: -51.370
flat angles C4'-P-C4' energy: -58.323
flat angles P-C4'-P energy: -41.290
tors. eta vs tors. theta energy: -64.866
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: 7, replica: 10
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -650.348781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -650.348781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -650.348781 (E_RNA)
where:
Base-Base interactions energy: -439.392
where: short stacking energy: -192.890
Base-Backbone interact. energy: -0.879
local terms energy: -210.077872
where:
bonds (distance) C4'-P energy: -46.349
bonds (distance) P-C4' energy: -37.717
flat angles C4'-P-C4' energy: -53.659
flat angles P-C4'-P energy: -23.850
tors. eta vs tors. theta energy: -48.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -544.960027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -544.960027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -544.960027 (E_RNA)
where:
Base-Base interactions energy: -346.010
where: short stacking energy: -175.337
Base-Backbone interact. energy: 0.101
local terms energy: -199.051168
where:
bonds (distance) C4'-P energy: -41.220
bonds (distance) P-C4' energy: -48.184
flat angles C4'-P-C4' energy: -45.353
flat angles P-C4'-P energy: -33.889
tors. eta vs tors. theta energy: -30.405
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: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -408.692349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -408.692349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -408.692349 (E_RNA)
where:
Base-Base interactions energy: -227.741
where: short stacking energy: -116.710
Base-Backbone interact. energy: -0.643
local terms energy: -180.308979
where:
bonds (distance) C4'-P energy: -58.443
bonds (distance) P-C4' energy: -48.033
flat angles C4'-P-C4' energy: -41.075
flat angles P-C4'-P energy: -28.415
tors. eta vs tors. theta energy: -4.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -346.041218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.041218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.041218 (E_RNA)
where:
Base-Base interactions energy: -160.573
where: short stacking energy: -88.079
Base-Backbone interact. energy: -1.364
local terms energy: -184.103823
where:
bonds (distance) C4'-P energy: -44.841
bonds (distance) P-C4' energy: -55.606
flat angles C4'-P-C4' energy: -49.617
flat angles P-C4'-P energy: -28.172
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1021.030655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.030655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.030655 (E_RNA)
where:
Base-Base interactions energy: -705.137
where: short stacking energy: -313.586
Base-Backbone interact. energy: -1.845
local terms energy: -314.048143
where:
bonds (distance) C4'-P energy: -48.372
bonds (distance) P-C4' energy: -59.825
flat angles C4'-P-C4' energy: -67.375
flat angles P-C4'-P energy: -39.009
tors. eta vs tors. theta energy: -99.467
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: 350
Temperature: 0.950000
Total energy: -1007.578439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.578439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.578439 (E_RNA)
where:
Base-Base interactions energy: -698.960
where: short stacking energy: -286.997
Base-Backbone interact. energy: -1.771
local terms energy: -306.848015
where:
bonds (distance) C4'-P energy: -61.391
bonds (distance) P-C4' energy: -60.185
flat angles C4'-P-C4' energy: -61.771
flat angles P-C4'-P energy: -36.125
tors. eta vs tors. theta energy: -87.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -943.190701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.190701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.190701 (E_RNA)
where:
Base-Base interactions energy: -639.347
where: short stacking energy: -285.837
Base-Backbone interact. energy: -2.050
local terms energy: -301.792937
where:
bonds (distance) C4'-P energy: -53.127
bonds (distance) P-C4' energy: -58.594
flat angles C4'-P-C4' energy: -61.075
flat angles P-C4'-P energy: -42.690
tors. eta vs tors. theta energy: -86.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -903.009158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.009158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.009158 (E_RNA)
where:
Base-Base interactions energy: -622.022
where: short stacking energy: -273.485
Base-Backbone interact. energy: -0.912
local terms energy: -280.075014
where:
bonds (distance) C4'-P energy: -53.805
bonds (distance) P-C4' energy: -43.401
flat angles C4'-P-C4' energy: -57.781
flat angles P-C4'-P energy: -40.821
tors. eta vs tors. theta energy: -84.267
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: 2
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -866.633227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.633227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.633227 (E_RNA)
where:
Base-Base interactions energy: -582.176
where: short stacking energy: -254.958
Base-Backbone interact. energy: -0.289
local terms energy: -284.168035
where:
bonds (distance) C4'-P energy: -53.885
bonds (distance) P-C4' energy: -52.217
flat angles C4'-P-C4' energy: -59.945
flat angles P-C4'-P energy: -41.723
tors. eta vs tors. theta energy: -76.399
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: 5
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -807.844160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.844160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.844160 (E_RNA)
where:
Base-Base interactions energy: -540.758
where: short stacking energy: -247.289
Base-Backbone interact. energy: 0.049
local terms energy: -267.135086
where:
bonds (distance) C4'-P energy: -39.230
bonds (distance) P-C4' energy: -57.115
flat angles C4'-P-C4' energy: -48.642
flat angles P-C4'-P energy: -46.985
tors. eta vs tors. theta energy: -75.164
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: 10
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -642.901332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.901332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.901332 (E_RNA)
where:
Base-Base interactions energy: -406.589
where: short stacking energy: -194.215
Base-Backbone interact. energy: -0.480
local terms energy: -235.831695
where:
bonds (distance) C4'-P energy: -50.739
bonds (distance) P-C4' energy: -53.101
flat angles C4'-P-C4' energy: -51.707
flat angles P-C4'-P energy: -33.677
tors. eta vs tors. theta energy: -46.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -559.445380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.445380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.445380 (E_RNA)
where:
Base-Base interactions energy: -342.963
where: short stacking energy: -155.315
Base-Backbone interact. energy: -1.812
local terms energy: -214.670095
where:
bonds (distance) C4'-P energy: -51.526
bonds (distance) P-C4' energy: -48.634
flat angles C4'-P-C4' energy: -51.632
flat angles P-C4'-P energy: -31.906
tors. eta vs tors. theta energy: -30.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -498.561371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -498.561371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -498.561371 (E_RNA)
where:
Base-Base interactions energy: -308.764
where: short stacking energy: -148.327
Base-Backbone interact. energy: -0.436
local terms energy: -189.362137
where:
bonds (distance) C4'-P energy: -47.399
bonds (distance) P-C4' energy: -49.384
flat angles C4'-P-C4' energy: -32.078
flat angles P-C4'-P energy: -30.214
tors. eta vs tors. theta energy: -30.288
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: 3
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -355.705084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.705084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.705084 (E_RNA)
where:
Base-Base interactions energy: -185.660
where: short stacking energy: -98.607
Base-Backbone interact. energy: -0.594
local terms energy: -169.451062
where:
bonds (distance) C4'-P energy: -47.539
bonds (distance) P-C4' energy: -45.729
flat angles C4'-P-C4' energy: -37.006
flat angles P-C4'-P energy: -35.121
tors. eta vs tors. theta energy: -4.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1012.646424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.646424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.646424 (E_RNA)
where:
Base-Base interactions energy: -694.037
where: short stacking energy: -300.651
Base-Backbone interact. energy: -1.397
local terms energy: -317.212238
where:
bonds (distance) C4'-P energy: -57.874
bonds (distance) P-C4' energy: -56.227
flat angles C4'-P-C4' energy: -67.943
flat angles P-C4'-P energy: -44.126
tors. eta vs tors. theta energy: -91.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -990.896481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.896481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.896481 (E_RNA)
where:
Base-Base interactions energy: -688.514
where: short stacking energy: -301.059
Base-Backbone interact. energy: -0.837
local terms energy: -301.546327
where:
bonds (distance) C4'-P energy: -46.505
bonds (distance) P-C4' energy: -64.526
flat angles C4'-P-C4' energy: -63.313
flat angles P-C4'-P energy: -39.630
tors. eta vs tors. theta energy: -87.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -944.463448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -944.463448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -944.463448 (E_RNA)
where:
Base-Base interactions energy: -642.453
where: short stacking energy: -275.342
Base-Backbone interact. energy: -0.225
local terms energy: -301.784889
where:
bonds (distance) C4'-P energy: -54.245
bonds (distance) P-C4' energy: -59.795
flat angles C4'-P-C4' energy: -60.787
flat angles P-C4'-P energy: -40.434
tors. eta vs tors. theta energy: -86.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -877.342453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.342453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.342453 (E_RNA)
where:
Base-Base interactions energy: -605.301
where: short stacking energy: -256.990
Base-Backbone interact. energy: -1.812
local terms energy: -270.229645
where:
bonds (distance) C4'-P energy: -49.357
bonds (distance) P-C4' energy: -49.128
flat angles C4'-P-C4' energy: -54.658
flat angles P-C4'-P energy: -44.332
tors. eta vs tors. theta energy: -72.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -860.176098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.176098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.176098 (E_RNA)
where:
Base-Base interactions energy: -580.316
where: short stacking energy: -263.775
Base-Backbone interact. energy: -0.204
local terms energy: -279.656532
where:
bonds (distance) C4'-P energy: -49.313
bonds (distance) P-C4' energy: -53.820
flat angles C4'-P-C4' energy: -60.813
flat angles P-C4'-P energy: -38.865
tors. eta vs tors. theta energy: -76.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -826.500893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.500893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.500893 (E_RNA)
where:
Base-Base interactions energy: -550.883
where: short stacking energy: -262.845
Base-Backbone interact. energy: -0.763
local terms energy: -274.854047
where:
bonds (distance) C4'-P energy: -51.981
bonds (distance) P-C4' energy: -62.183
flat angles C4'-P-C4' energy: -50.270
flat angles P-C4'-P energy: -37.456
tors. eta vs tors. theta energy: -72.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -648.447377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -648.447377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -648.447377 (E_RNA)
where:
Base-Base interactions energy: -423.283
where: short stacking energy: -188.531
Base-Backbone interact. energy: -1.277
local terms energy: -223.887123
where:
bonds (distance) C4'-P energy: -45.692
bonds (distance) P-C4' energy: -61.278
flat angles C4'-P-C4' energy: -46.038
flat angles P-C4'-P energy: -32.542
tors. eta vs tors. theta energy: -38.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -546.755928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.755928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.755928 (E_RNA)
where:
Base-Base interactions energy: -318.555
where: short stacking energy: -163.550
Base-Backbone interact. energy: -0.385
local terms energy: -227.815950
where:
bonds (distance) C4'-P energy: -47.338
bonds (distance) P-C4' energy: -42.743
flat angles C4'-P-C4' energy: -55.492
flat angles P-C4'-P energy: -39.955
tors. eta vs tors. theta energy: -42.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -478.230418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.230418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.230418 (E_RNA)
where:
Base-Base interactions energy: -290.274
where: short stacking energy: -140.338
Base-Backbone interact. energy: -0.853
local terms energy: -187.103063
where:
bonds (distance) C4'-P energy: -49.503
bonds (distance) P-C4' energy: -54.261
flat angles C4'-P-C4' energy: -44.990
flat angles P-C4'-P energy: -22.192
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -360.236701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.236701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.236701 (E_RNA)
where:
Base-Base interactions energy: -180.969
where: short stacking energy: -98.982
Base-Backbone interact. energy: -0.890
local terms energy: -178.377748
where:
bonds (distance) C4'-P energy: -44.656
bonds (distance) P-C4' energy: -56.818
flat angles C4'-P-C4' energy: -40.811
flat angles P-C4'-P energy: -31.932
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1037.343367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.343367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.343367 (E_RNA)
where:
Base-Base interactions energy: -719.185
where: short stacking energy: -304.707
Base-Backbone interact. energy: -0.560
local terms energy: -317.598191
where:
bonds (distance) C4'-P energy: -63.456
bonds (distance) P-C4' energy: -52.016
flat angles C4'-P-C4' energy: -62.789
flat angles P-C4'-P energy: -46.646
tors. eta vs tors. theta energy: -92.692
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: 2, replica: 4
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -990.583950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.583950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.583950 (E_RNA)
where:
Base-Base interactions energy: -677.242
where: short stacking energy: -293.503
Base-Backbone interact. energy: -0.340
local terms energy: -313.001960
where:
bonds (distance) C4'-P energy: -61.465
bonds (distance) P-C4' energy: -50.142
flat angles C4'-P-C4' energy: -64.449
flat angles P-C4'-P energy: -47.767
tors. eta vs tors. theta energy: -89.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -906.835798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.835798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.835798 (E_RNA)
where:
Base-Base interactions energy: -604.662
where: short stacking energy: -276.395
Base-Backbone interact. energy: -0.604
local terms energy: -301.570404
where:
bonds (distance) C4'-P energy: -52.823
bonds (distance) P-C4' energy: -55.172
flat angles C4'-P-C4' energy: -64.564
flat angles P-C4'-P energy: -48.115
tors. eta vs tors. theta energy: -80.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -907.985748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.985748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.985748 (E_RNA)
where:
Base-Base interactions energy: -604.555
where: short stacking energy: -268.959
Base-Backbone interact. energy: -1.203
local terms energy: -302.227619
where:
bonds (distance) C4'-P energy: -58.299
bonds (distance) P-C4' energy: -45.498
flat angles C4'-P-C4' energy: -65.824
flat angles P-C4'-P energy: -44.940
tors. eta vs tors. theta energy: -87.667
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: 2
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -862.692860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.692860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.692860 (E_RNA)
where:
Base-Base interactions energy: -589.951
where: short stacking energy: -268.577
Base-Backbone interact. energy: -0.969
local terms energy: -271.773445
where:
bonds (distance) C4'-P energy: -42.332
bonds (distance) P-C4' energy: -53.377
flat angles C4'-P-C4' energy: -54.319
flat angles P-C4'-P energy: -37.959
tors. eta vs tors. theta energy: -83.787
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: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -754.547800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.547800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.547800 (E_RNA)
where:
Base-Base interactions energy: -515.333
where: short stacking energy: -224.469
Base-Backbone interact. energy: 1.294
local terms energy: -240.509108
where:
bonds (distance) C4'-P energy: -36.093
bonds (distance) P-C4' energy: -54.709
flat angles C4'-P-C4' energy: -54.080
flat angles P-C4'-P energy: -38.392
tors. eta vs tors. theta energy: -57.236
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: 10
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -711.950374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.950374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.950374 (E_RNA)
where:
Base-Base interactions energy: -485.180
where: short stacking energy: -202.510
Base-Backbone interact. energy: -1.418
local terms energy: -225.352870
where:
bonds (distance) C4'-P energy: -54.728
bonds (distance) P-C4' energy: -48.426
flat angles C4'-P-C4' energy: -42.804
flat angles P-C4'-P energy: -27.130
tors. eta vs tors. theta energy: -52.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -603.865269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.865269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.865269 (E_RNA)
where:
Base-Base interactions energy: -380.372
where: short stacking energy: -158.052
Base-Backbone interact. energy: -1.834
local terms energy: -221.659642
where:
bonds (distance) C4'-P energy: -57.038
bonds (distance) P-C4' energy: -48.809
flat angles C4'-P-C4' energy: -46.313
flat angles P-C4'-P energy: -26.353
tors. eta vs tors. theta energy: -43.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -494.200244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -494.200244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -494.200244 (E_RNA)
where:
Base-Base interactions energy: -306.219
where: short stacking energy: -144.745
Base-Backbone interact. energy: -2.122
local terms energy: -185.859500
where:
bonds (distance) C4'-P energy: -39.637
bonds (distance) P-C4' energy: -35.816
flat angles C4'-P-C4' energy: -43.258
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -33.854
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: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -347.259291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.259291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.259291 (E_RNA)
where:
Base-Base interactions energy: -170.265
where: short stacking energy: -94.382
Base-Backbone interact. energy: 1.217
local terms energy: -178.211620
where:
bonds (distance) C4'-P energy: -50.581
bonds (distance) P-C4' energy: -39.819
flat angles C4'-P-C4' energy: -42.415
flat angles P-C4'-P energy: -40.015
tors. eta vs tors. theta energy: -5.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1034.944096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.944096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.944096 (E_RNA)
where:
Base-Base interactions energy: -706.173
where: short stacking energy: -304.241
Base-Backbone interact. energy: 0.300
local terms energy: -329.071654
where:
bonds (distance) C4'-P energy: -51.768
bonds (distance) P-C4' energy: -61.555
flat angles C4'-P-C4' energy: -64.067
flat angles P-C4'-P energy: -52.507
tors. eta vs tors. theta energy: -99.176
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: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -990.693126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.693126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.693126 (E_RNA)
where:
Base-Base interactions energy: -688.330
where: short stacking energy: -282.931
Base-Backbone interact. energy: -1.464
local terms energy: -300.899092
where:
bonds (distance) C4'-P energy: -43.075
bonds (distance) P-C4' energy: -56.177
flat angles C4'-P-C4' energy: -64.332
flat angles P-C4'-P energy: -42.530
tors. eta vs tors. theta energy: -94.786
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: 1
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -929.934140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.934140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.934140 (E_RNA)
where:
Base-Base interactions energy: -636.645
where: short stacking energy: -261.329
Base-Backbone interact. energy: -1.387
local terms energy: -291.901864
where:
bonds (distance) C4'-P energy: -54.889
bonds (distance) P-C4' energy: -56.528
flat angles C4'-P-C4' energy: -54.888
flat angles P-C4'-P energy: -45.406
tors. eta vs tors. theta energy: -80.190
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: 2
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -866.950992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.950992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.950992 (E_RNA)
where:
Base-Base interactions energy: -587.447
where: short stacking energy: -259.868
Base-Backbone interact. energy: -2.049
local terms energy: -277.454980
where:
bonds (distance) C4'-P energy: -50.277
bonds (distance) P-C4' energy: -46.765
flat angles C4'-P-C4' energy: -60.659
flat angles P-C4'-P energy: -42.712
tors. eta vs tors. theta energy: -77.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -880.368680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.368680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.368680 (E_RNA)
where:
Base-Base interactions energy: -603.816
where: short stacking energy: -255.066
Base-Backbone interact. energy: -1.407
local terms energy: -275.145061
where:
bonds (distance) C4'-P energy: -43.677
bonds (distance) P-C4' energy: -55.076
flat angles C4'-P-C4' energy: -60.570
flat angles P-C4'-P energy: -38.543
tors. eta vs tors. theta energy: -77.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -777.395026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.395026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.395026 (E_RNA)
where:
Base-Base interactions energy: -524.342
where: short stacking energy: -230.077
Base-Backbone interact. energy: -0.983
local terms energy: -252.069733
where:
bonds (distance) C4'-P energy: -40.511
bonds (distance) P-C4' energy: -52.410
flat angles C4'-P-C4' energy: -60.351
flat angles P-C4'-P energy: -35.490
tors. eta vs tors. theta energy: -63.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -723.856138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.856138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.856138 (E_RNA)
where:
Base-Base interactions energy: -467.404
where: short stacking energy: -206.645
Base-Backbone interact. energy: -1.877
local terms energy: -254.575083
where:
bonds (distance) C4'-P energy: -55.721
bonds (distance) P-C4' energy: -55.619
flat angles C4'-P-C4' energy: -56.326
flat angles P-C4'-P energy: -27.755
tors. eta vs tors. theta energy: -59.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -590.067110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.067110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.067110 (E_RNA)
where:
Base-Base interactions energy: -386.034
where: short stacking energy: -180.448
Base-Backbone interact. energy: 3.398
local terms energy: -207.430745
where:
bonds (distance) C4'-P energy: -49.048
bonds (distance) P-C4' energy: -36.383
flat angles C4'-P-C4' energy: -50.628
flat angles P-C4'-P energy: -32.208
tors. eta vs tors. theta energy: -39.163
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: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -517.301487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.301487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.301487 (E_RNA)
where:
Base-Base interactions energy: -300.031
where: short stacking energy: -138.678
Base-Backbone interact. energy: -1.814
local terms energy: -215.456852
where:
bonds (distance) C4'-P energy: -55.245
bonds (distance) P-C4' energy: -53.550
flat angles C4'-P-C4' energy: -46.582
flat angles P-C4'-P energy: -28.312
tors. eta vs tors. theta energy: -31.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -379.189595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.189595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.189595 (E_RNA)
where:
Base-Base interactions energy: -196.335
where: short stacking energy: -99.894
Base-Backbone interact. energy: 0.689
local terms energy: -183.543329
where:
bonds (distance) C4'-P energy: -43.159
bonds (distance) P-C4' energy: -54.053
flat angles C4'-P-C4' energy: -44.778
flat angles P-C4'-P energy: -30.094
tors. eta vs tors. theta energy: -11.460
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: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1019.283475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.283475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.283475 (E_RNA)
where:
Base-Base interactions energy: -708.235
where: short stacking energy: -300.536
Base-Backbone interact. energy: -1.406
local terms energy: -309.641913
where:
bonds (distance) C4'-P energy: -49.120
bonds (distance) P-C4' energy: -60.593
flat angles C4'-P-C4' energy: -65.624
flat angles P-C4'-P energy: -41.883
tors. eta vs tors. theta energy: -92.423
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: 2, replica: 4
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1001.746536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.746536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.746536 (E_RNA)
where:
Base-Base interactions energy: -690.573
where: short stacking energy: -296.962
Base-Backbone interact. energy: -1.744
local terms energy: -309.429428
where:
bonds (distance) C4'-P energy: -57.510
bonds (distance) P-C4' energy: -59.799
flat angles C4'-P-C4' energy: -62.196
flat angles P-C4'-P energy: -36.944
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: 3, replica: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -929.637581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.637581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.637581 (E_RNA)
where:
Base-Base interactions energy: -651.744
where: short stacking energy: -261.597
Base-Backbone interact. energy: -0.146
local terms energy: -277.747542
where:
bonds (distance) C4'-P energy: -51.594
bonds (distance) P-C4' energy: -51.483
flat angles C4'-P-C4' energy: -57.507
flat angles P-C4'-P energy: -39.544
tors. eta vs tors. theta energy: -77.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -867.027379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.027379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.027379 (E_RNA)
where:
Base-Base interactions energy: -596.713
where: short stacking energy: -262.363
Base-Backbone interact. energy: -0.203
local terms energy: -270.112320
where:
bonds (distance) C4'-P energy: -53.805
bonds (distance) P-C4' energy: -56.150
flat angles C4'-P-C4' energy: -59.951
flat angles P-C4'-P energy: -26.187
tors. eta vs tors. theta energy: -74.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -885.286854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.286854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.286854 (E_RNA)
where:
Base-Base interactions energy: -606.063
where: short stacking energy: -275.861
Base-Backbone interact. energy: -1.604
local terms energy: -277.619943
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -51.422
flat angles C4'-P-C4' energy: -64.007
flat angles P-C4'-P energy: -37.572
tors. eta vs tors. theta energy: -82.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -758.475772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.475772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.475772 (E_RNA)
where:
Base-Base interactions energy: -522.916
where: short stacking energy: -222.761
Base-Backbone interact. energy: 0.030
local terms energy: -235.589588
where:
bonds (distance) C4'-P energy: -44.484
bonds (distance) P-C4' energy: -43.157
flat angles C4'-P-C4' energy: -59.129
flat angles P-C4'-P energy: -34.196
tors. eta vs tors. theta energy: -54.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -695.945805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.945805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.945805 (E_RNA)
where:
Base-Base interactions energy: -446.618
where: short stacking energy: -201.957
Base-Backbone interact. energy: 1.457
local terms energy: -250.784658
where:
bonds (distance) C4'-P energy: -48.653
bonds (distance) P-C4' energy: -55.086
flat angles C4'-P-C4' energy: -53.362
flat angles P-C4'-P energy: -40.573
tors. eta vs tors. theta energy: -53.111
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: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -546.712299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.712299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.712299 (E_RNA)
where:
Base-Base interactions energy: -357.253
where: short stacking energy: -164.181
Base-Backbone interact. energy: -0.313
local terms energy: -189.146560
where:
bonds (distance) C4'-P energy: -33.732
bonds (distance) P-C4' energy: -47.472
flat angles C4'-P-C4' energy: -57.957
flat angles P-C4'-P energy: -22.600
tors. eta vs tors. theta energy: -27.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -476.675921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.675921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.675921 (E_RNA)
where:
Base-Base interactions energy: -283.335
where: short stacking energy: -139.021
Base-Backbone interact. energy: -1.751
local terms energy: -191.590047
where:
bonds (distance) C4'-P energy: -44.576
bonds (distance) P-C4' energy: -47.199
flat angles C4'-P-C4' energy: -36.515
flat angles P-C4'-P energy: -30.876
tors. eta vs tors. theta energy: -32.423
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: 354
Temperature: 1.350000
Total energy: -366.310413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.310413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.310413 (E_RNA)
where:
Base-Base interactions energy: -201.801
where: short stacking energy: -105.804
Base-Backbone interact. energy: 0.335
local terms energy: -164.844554
where:
bonds (distance) C4'-P energy: -43.680
bonds (distance) P-C4' energy: -51.289
flat angles C4'-P-C4' energy: -35.060
flat angles P-C4'-P energy: -32.721
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1026.792168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.792168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.792168 (E_RNA)
where:
Base-Base interactions energy: -702.784
where: short stacking energy: -315.781
Base-Backbone interact. energy: -1.783
local terms energy: -322.225164
where:
bonds (distance) C4'-P energy: -61.464
bonds (distance) P-C4' energy: -47.557
flat angles C4'-P-C4' energy: -67.742
flat angles P-C4'-P energy: -49.848
tors. eta vs tors. theta energy: -95.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -983.021990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.021990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.021990 (E_RNA)
where:
Base-Base interactions energy: -669.707
where: short stacking energy: -282.517
Base-Backbone interact. energy: 2.466
local terms energy: -315.781342
where:
bonds (distance) C4'-P energy: -55.981
bonds (distance) P-C4' energy: -53.874
flat angles C4'-P-C4' energy: -67.535
flat angles P-C4'-P energy: -41.834
tors. eta vs tors. theta energy: -96.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -931.655441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.655441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.655441 (E_RNA)
where:
Base-Base interactions energy: -651.089
where: short stacking energy: -269.092
Base-Backbone interact. energy: -0.490
local terms energy: -280.075900
where:
bonds (distance) C4'-P energy: -58.947
bonds (distance) P-C4' energy: -50.085
flat angles C4'-P-C4' energy: -51.965
flat angles P-C4'-P energy: -40.351
tors. eta vs tors. theta energy: -78.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -887.753607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.753607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.753607 (E_RNA)
where:
Base-Base interactions energy: -617.575
where: short stacking energy: -266.656
Base-Backbone interact. energy: 2.088
local terms energy: -272.266403
where:
bonds (distance) C4'-P energy: -37.323
bonds (distance) P-C4' energy: -43.542
flat angles C4'-P-C4' energy: -61.777
flat angles P-C4'-P energy: -45.206
tors. eta vs tors. theta energy: -84.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -824.611785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.611785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.611785 (E_RNA)
where:
Base-Base interactions energy: -562.705
where: short stacking energy: -242.503
Base-Backbone interact. energy: -0.902
local terms energy: -261.004574
where:
bonds (distance) C4'-P energy: -37.095
bonds (distance) P-C4' energy: -53.308
flat angles C4'-P-C4' energy: -59.906
flat angles P-C4'-P energy: -43.099
tors. eta vs tors. theta energy: -67.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -788.608692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.608692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.608692 (E_RNA)
where:
Base-Base interactions energy: -530.181
where: short stacking energy: -229.904
Base-Backbone interact. energy: -1.162
local terms energy: -257.265663
where:
bonds (distance) C4'-P energy: -47.468
bonds (distance) P-C4' energy: -53.992
flat angles C4'-P-C4' energy: -54.488
flat angles P-C4'-P energy: -37.480
tors. eta vs tors. theta energy: -63.839
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: 7, replica: 10
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -700.103304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.103304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.103304 (E_RNA)
where:
Base-Base interactions energy: -455.775
where: short stacking energy: -192.340
Base-Backbone interact. energy: 1.035
local terms energy: -245.362531
where:
bonds (distance) C4'-P energy: -50.030
bonds (distance) P-C4' energy: -56.920
flat angles C4'-P-C4' energy: -52.726
flat angles P-C4'-P energy: -33.349
tors. eta vs tors. theta energy: -52.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -558.917289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -558.917289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -558.917289 (E_RNA)
where:
Base-Base interactions energy: -365.402
where: short stacking energy: -168.649
Base-Backbone interact. energy: -1.400
local terms energy: -192.115801
where:
bonds (distance) C4'-P energy: -44.549
bonds (distance) P-C4' energy: -41.544
flat angles C4'-P-C4' energy: -55.103
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -36.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -433.920041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -433.920041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -433.920041 (E_RNA)
where:
Base-Base interactions energy: -249.312
where: short stacking energy: -121.273
Base-Backbone interact. energy: -2.251
local terms energy: -182.356796
where:
bonds (distance) C4'-P energy: -57.736
bonds (distance) P-C4' energy: -41.313
flat angles C4'-P-C4' energy: -52.587
flat angles P-C4'-P energy: -20.574
tors. eta vs tors. theta energy: -10.148
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: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -374.898314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -374.898314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -374.898314 (E_RNA)
where:
Base-Base interactions energy: -209.833
where: short stacking energy: -119.604
Base-Backbone interact. energy: -1.242
local terms energy: -163.823858
where:
bonds (distance) C4'-P energy: -45.762
bonds (distance) P-C4' energy: -41.209
flat angles C4'-P-C4' energy: -39.602
flat angles P-C4'-P energy: -18.457
tors. eta vs tors. theta energy: -18.794
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: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1021.264077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.264077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.264077 (E_RNA)
where:
Base-Base interactions energy: -705.419
where: short stacking energy: -297.062
Base-Backbone interact. energy: 3.037
local terms energy: -318.882245
where:
bonds (distance) C4'-P energy: -55.290
bonds (distance) P-C4' energy: -57.518
flat angles C4'-P-C4' energy: -65.660
flat angles P-C4'-P energy: -45.175
tors. eta vs tors. theta energy: -95.239
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: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1001.132346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.132346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.132346 (E_RNA)
where:
Base-Base interactions energy: -704.483
where: short stacking energy: -313.434
Base-Backbone interact. energy: -1.793
local terms energy: -294.856580
where:
bonds (distance) C4'-P energy: -47.586
bonds (distance) P-C4' energy: -53.390
flat angles C4'-P-C4' energy: -63.167
flat angles P-C4'-P energy: -37.850
tors. eta vs tors. theta energy: -92.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -920.514008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.514008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.514008 (E_RNA)
where:
Base-Base interactions energy: -618.694
where: short stacking energy: -264.285
Base-Backbone interact. energy: 0.235
local terms energy: -302.054629
where:
bonds (distance) C4'-P energy: -49.109
bonds (distance) P-C4' energy: -64.148
flat angles C4'-P-C4' energy: -62.215
flat angles P-C4'-P energy: -46.892
tors. eta vs tors. theta energy: -79.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -897.393658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -897.393658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -897.393658 (E_RNA)
where:
Base-Base interactions energy: -630.468
where: short stacking energy: -268.739
Base-Backbone interact. energy: 2.187
local terms energy: -269.112075
where:
bonds (distance) C4'-P energy: -47.355
bonds (distance) P-C4' energy: -51.696
flat angles C4'-P-C4' energy: -53.357
flat angles P-C4'-P energy: -40.725
tors. eta vs tors. theta energy: -75.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -802.255205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.255205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.255205 (E_RNA)
where:
Base-Base interactions energy: -524.247
where: short stacking energy: -237.862
Base-Backbone interact. energy: -0.996
local terms energy: -277.011421
where:
bonds (distance) C4'-P energy: -49.283
bonds (distance) P-C4' energy: -62.803
flat angles C4'-P-C4' energy: -57.890
flat angles P-C4'-P energy: -37.233
tors. eta vs tors. theta energy: -69.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -783.547799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.547799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.547799 (E_RNA)
where:
Base-Base interactions energy: -537.694
where: short stacking energy: -248.361
Base-Backbone interact. energy: -0.195
local terms energy: -245.658890
where:
bonds (distance) C4'-P energy: -48.259
bonds (distance) P-C4' energy: -39.293
flat angles C4'-P-C4' energy: -60.123
flat angles P-C4'-P energy: -25.092
tors. eta vs tors. theta energy: -72.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -706.071189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.071189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.071189 (E_RNA)
where:
Base-Base interactions energy: -473.004
where: short stacking energy: -217.866
Base-Backbone interact. energy: -0.831
local terms energy: -232.236295
where:
bonds (distance) C4'-P energy: -51.131
bonds (distance) P-C4' energy: -43.398
flat angles C4'-P-C4' energy: -53.160
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -58.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -607.433906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.433906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.433906 (E_RNA)
where:
Base-Base interactions energy: -392.942
where: short stacking energy: -172.268
Base-Backbone interact. energy: 1.301
local terms energy: -215.793216
where:
bonds (distance) C4'-P energy: -49.326
bonds (distance) P-C4' energy: -53.845
flat angles C4'-P-C4' energy: -48.311
flat angles P-C4'-P energy: -22.868
tors. eta vs tors. theta energy: -41.444
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: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -355.480665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.480665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.480665 (E_RNA)
where:
Base-Base interactions energy: -186.332
where: short stacking energy: -99.403
Base-Backbone interact. energy: -2.543
local terms energy: -166.606143
where:
bonds (distance) C4'-P energy: -36.440
bonds (distance) P-C4' energy: -41.614
flat angles C4'-P-C4' energy: -42.227
flat angles P-C4'-P energy: -35.615
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: 10, replica: 6
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -386.509393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -386.509393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -386.509393 (E_RNA)
where:
Base-Base interactions energy: -199.239
where: short stacking energy: -96.040
Base-Backbone interact. energy: -1.062
local terms energy: -186.208575
where:
bonds (distance) C4'-P energy: -54.619
bonds (distance) P-C4' energy: -47.672
flat angles C4'-P-C4' energy: -41.744
flat angles P-C4'-P energy: -39.005
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: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1015.799839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.799839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.799839 (E_RNA)
where:
Base-Base interactions energy: -717.365
where: short stacking energy: -310.392
Base-Backbone interact. energy: -3.287
local terms energy: -295.148477
where:
bonds (distance) C4'-P energy: -40.293
bonds (distance) P-C4' energy: -55.734
flat angles C4'-P-C4' energy: -63.540
flat angles P-C4'-P energy: -43.756
tors. eta vs tors. theta energy: -91.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1012.110736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.110736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.110736 (E_RNA)
where:
Base-Base interactions energy: -684.904
where: short stacking energy: -301.358
Base-Backbone interact. energy: -0.825
local terms energy: -326.381885
where:
bonds (distance) C4'-P energy: -60.699
bonds (distance) P-C4' energy: -59.762
flat angles C4'-P-C4' energy: -65.894
flat angles P-C4'-P energy: -43.094
tors. eta vs tors. theta energy: -96.933
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: 8
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -927.017925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.017925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.017925 (E_RNA)
where:
Base-Base interactions energy: -650.565
where: short stacking energy: -289.564
Base-Backbone interact. energy: -0.286
local terms energy: -276.166800
where:
bonds (distance) C4'-P energy: -43.069
bonds (distance) P-C4' energy: -44.827
flat angles C4'-P-C4' energy: -59.172
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -85.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -898.926860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.926860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.926860 (E_RNA)
where:
Base-Base interactions energy: -606.701
where: short stacking energy: -267.251
Base-Backbone interact. energy: -1.924
local terms energy: -290.301903
where:
bonds (distance) C4'-P energy: -57.498
bonds (distance) P-C4' energy: -57.365
flat angles C4'-P-C4' energy: -56.619
flat angles P-C4'-P energy: -39.981
tors. eta vs tors. theta energy: -78.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -782.379387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.379387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.379387 (E_RNA)
where:
Base-Base interactions energy: -518.645
where: short stacking energy: -227.384
Base-Backbone interact. energy: -1.431
local terms energy: -262.303035
where:
bonds (distance) C4'-P energy: -45.136
bonds (distance) P-C4' energy: -48.358
flat angles C4'-P-C4' energy: -61.450
flat angles P-C4'-P energy: -43.657
tors. eta vs tors. theta energy: -63.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -807.664018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.664018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.664018 (E_RNA)
where:
Base-Base interactions energy: -530.122
where: short stacking energy: -246.334
Base-Backbone interact. energy: 0.062
local terms energy: -277.604421
where:
bonds (distance) C4'-P energy: -51.951
bonds (distance) P-C4' energy: -53.975
flat angles C4'-P-C4' energy: -52.992
flat angles P-C4'-P energy: -43.455
tors. eta vs tors. theta energy: -75.231
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: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -691.269140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -691.269140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -691.269140 (E_RNA)
where:
Base-Base interactions energy: -441.272
where: short stacking energy: -197.995
Base-Backbone interact. energy: -0.623
local terms energy: -249.374399
where:
bonds (distance) C4'-P energy: -58.485
bonds (distance) P-C4' energy: -52.764
flat angles C4'-P-C4' energy: -47.116
flat angles P-C4'-P energy: -41.369
tors. eta vs tors. theta energy: -49.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -564.557708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.557708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.557708 (E_RNA)
where:
Base-Base interactions energy: -347.130
where: short stacking energy: -162.252
Base-Backbone interact. energy: -1.754
local terms energy: -215.673385
where:
bonds (distance) C4'-P energy: -53.003
bonds (distance) P-C4' energy: -46.500
flat angles C4'-P-C4' energy: -49.424
flat angles P-C4'-P energy: -29.446
tors. eta vs tors. theta energy: -37.301
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: 3
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -380.450072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -380.450072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -380.450072 (E_RNA)
where:
Base-Base interactions energy: -185.799
where: short stacking energy: -99.676
Base-Backbone interact. energy: -0.256
local terms energy: -194.395206
where:
bonds (distance) C4'-P energy: -47.318
bonds (distance) P-C4' energy: -51.683
flat angles C4'-P-C4' energy: -50.876
flat angles P-C4'-P energy: -34.824
tors. eta vs tors. theta energy: -9.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -411.799245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.799245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.799245 (E_RNA)
where:
Base-Base interactions energy: -229.427
where: short stacking energy: -108.814
Base-Backbone interact. energy: 1.533
local terms energy: -183.905785
where:
bonds (distance) C4'-P energy: -39.663
bonds (distance) P-C4' energy: -48.818
flat angles C4'-P-C4' energy: -46.868
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -21.594
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: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1026.357861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.357861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.357861 (E_RNA)
where:
Base-Base interactions energy: -712.045
where: short stacking energy: -305.742
Base-Backbone interact. energy: -1.243
local terms energy: -313.070121
where:
bonds (distance) C4'-P energy: -53.123
bonds (distance) P-C4' energy: -57.448
flat angles C4'-P-C4' energy: -64.020
flat angles P-C4'-P energy: -46.150
tors. eta vs tors. theta energy: -92.330
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: 2, replica: 4
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1000.702571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.702571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.702571 (E_RNA)
where:
Base-Base interactions energy: -693.818
where: short stacking energy: -314.348
Base-Backbone interact. energy: -1.143
local terms energy: -305.741424
where:
bonds (distance) C4'-P energy: -51.548
bonds (distance) P-C4' energy: -45.527
flat angles C4'-P-C4' energy: -66.594
flat angles P-C4'-P energy: -41.479
tors. eta vs tors. theta energy: -100.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -921.537645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -921.537645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -921.537645 (E_RNA)
where:
Base-Base interactions energy: -637.158
where: short stacking energy: -275.199
Base-Backbone interact. energy: -1.837
local terms energy: -282.542481
where:
bonds (distance) C4'-P energy: -46.700
bonds (distance) P-C4' energy: -48.319
flat angles C4'-P-C4' energy: -59.028
flat angles P-C4'-P energy: -42.172
tors. eta vs tors. theta energy: -86.323
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: 358
Temperature: 1.050000
Total energy: -904.879295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.879295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.879295 (E_RNA)
where:
Base-Base interactions energy: -616.018
where: short stacking energy: -265.861
Base-Backbone interact. energy: -0.398
local terms energy: -288.462995
where:
bonds (distance) C4'-P energy: -49.944
bonds (distance) P-C4' energy: -57.871
flat angles C4'-P-C4' energy: -58.077
flat angles P-C4'-P energy: -35.901
tors. eta vs tors. theta energy: -86.670
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: 5, replica: 2
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -819.029774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.029774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.029774 (E_RNA)
where:
Base-Base interactions energy: -553.116
where: short stacking energy: -257.369
Base-Backbone interact. energy: -1.175
local terms energy: -264.738506
where:
bonds (distance) C4'-P energy: -53.286
bonds (distance) P-C4' energy: -45.002
flat angles C4'-P-C4' energy: -51.404
flat angles P-C4'-P energy: -39.191
tors. eta vs tors. theta energy: -75.855
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: 6, replica: 5
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -761.680635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.680635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.680635 (E_RNA)
where:
Base-Base interactions energy: -512.936
where: short stacking energy: -232.967
Base-Backbone interact. energy: -0.446
local terms energy: -248.298132
where:
bonds (distance) C4'-P energy: -50.292
bonds (distance) P-C4' energy: -43.594
flat angles C4'-P-C4' energy: -58.889
flat angles P-C4'-P energy: -41.989
tors. eta vs tors. theta energy: -53.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -746.111015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.111015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.111015 (E_RNA)
where:
Base-Base interactions energy: -507.611
where: short stacking energy: -215.774
Base-Backbone interact. energy: -0.084
local terms energy: -238.415885
where:
bonds (distance) C4'-P energy: -47.597
bonds (distance) P-C4' energy: -60.764
flat angles C4'-P-C4' energy: -46.101
flat angles P-C4'-P energy: -23.249
tors. eta vs tors. theta energy: -60.705
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: 9
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -561.315455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -561.315455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -561.315455 (E_RNA)
where:
Base-Base interactions energy: -357.105
where: short stacking energy: -183.741
Base-Backbone interact. energy: 1.804
local terms energy: -206.014455
where:
bonds (distance) C4'-P energy: -51.470
bonds (distance) P-C4' energy: -50.055
flat angles C4'-P-C4' energy: -47.751
flat angles P-C4'-P energy: -30.186
tors. eta vs tors. theta energy: -26.554
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: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -458.398483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.398483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.398483 (E_RNA)
where:
Base-Base interactions energy: -245.063
where: short stacking energy: -129.597
Base-Backbone interact. energy: 0.901
local terms energy: -214.236277
where:
bonds (distance) C4'-P energy: -54.955
bonds (distance) P-C4' energy: -56.331
flat angles C4'-P-C4' energy: -45.658
flat angles P-C4'-P energy: -29.189
tors. eta vs tors. theta energy: -28.103
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: 3
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -360.420546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.420546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.420546 (E_RNA)
where:
Base-Base interactions energy: -183.887
where: short stacking energy: -95.366
Base-Backbone interact. energy: -2.449
local terms energy: -174.084687
where:
bonds (distance) C4'-P energy: -50.269
bonds (distance) P-C4' energy: -47.130
flat angles C4'-P-C4' energy: -34.266
flat angles P-C4'-P energy: -31.084
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1022.981679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.981679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.981679 (E_RNA)
where:
Base-Base interactions energy: -706.988
where: short stacking energy: -292.741
Base-Backbone interact. energy: -2.890
local terms energy: -313.103667
where:
bonds (distance) C4'-P energy: -58.554
bonds (distance) P-C4' energy: -52.830
flat angles C4'-P-C4' energy: -63.708
flat angles P-C4'-P energy: -50.685
tors. eta vs tors. theta energy: -87.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -997.695072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.695072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.695072 (E_RNA)
where:
Base-Base interactions energy: -685.065
where: short stacking energy: -314.141
Base-Backbone interact. energy: -0.061
local terms energy: -312.569185
where:
bonds (distance) C4'-P energy: -57.068
bonds (distance) P-C4' energy: -50.856
flat angles C4'-P-C4' energy: -65.121
flat angles P-C4'-P energy: -47.723
tors. eta vs tors. theta energy: -91.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -919.363771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.363771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.363771 (E_RNA)
where:
Base-Base interactions energy: -624.764
where: short stacking energy: -278.673
Base-Backbone interact. energy: 0.194
local terms energy: -294.793502
where:
bonds (distance) C4'-P energy: -52.403
bonds (distance) P-C4' energy: -56.658
flat angles C4'-P-C4' energy: -57.692
flat angles P-C4'-P energy: -39.244
tors. eta vs tors. theta energy: -88.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -835.851427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.851427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.851427 (E_RNA)
where:
Base-Base interactions energy: -552.004
where: short stacking energy: -250.122
Base-Backbone interact. energy: -0.007
local terms energy: -283.840383
where:
bonds (distance) C4'-P energy: -44.392
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -63.242
flat angles P-C4'-P energy: -44.805
tors. eta vs tors. theta energy: -82.429
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: 359
Temperature: 1.100000
Total energy: -908.881740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.881740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.881740 (E_RNA)
where:
Base-Base interactions energy: -625.430
where: short stacking energy: -253.456
Base-Backbone interact. energy: -0.321
local terms energy: -283.130938
where:
bonds (distance) C4'-P energy: -49.525
bonds (distance) P-C4' energy: -54.494
flat angles C4'-P-C4' energy: -61.945
flat angles P-C4'-P energy: -44.126
tors. eta vs tors. theta energy: -73.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -760.580804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.580804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.580804 (E_RNA)
where:
Base-Base interactions energy: -518.755
where: short stacking energy: -211.687
Base-Backbone interact. energy: -1.323
local terms energy: -240.502683
where:
bonds (distance) C4'-P energy: -47.941
bonds (distance) P-C4' energy: -58.536
flat angles C4'-P-C4' energy: -45.012
flat angles P-C4'-P energy: -30.009
tors. eta vs tors. theta energy: -59.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -737.248717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.248717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.248717 (E_RNA)
where:
Base-Base interactions energy: -498.787
where: short stacking energy: -217.476
Base-Backbone interact. energy: -2.046
local terms energy: -236.416257
where:
bonds (distance) C4'-P energy: -51.024
bonds (distance) P-C4' energy: -39.118
flat angles C4'-P-C4' energy: -61.776
flat angles P-C4'-P energy: -40.104
tors. eta vs tors. theta energy: -44.394
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: 9
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -528.261526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.261526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.261526 (E_RNA)
where:
Base-Base interactions energy: -331.661
where: short stacking energy: -158.588
Base-Backbone interact. energy: -0.600
local terms energy: -196.000556
where:
bonds (distance) C4'-P energy: -52.802
bonds (distance) P-C4' energy: -45.492
flat angles C4'-P-C4' energy: -45.403
flat angles P-C4'-P energy: -24.435
tors. eta vs tors. theta energy: -27.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -470.632018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.632018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.632018 (E_RNA)
where:
Base-Base interactions energy: -268.434
where: short stacking energy: -147.071
Base-Backbone interact. energy: -0.484
local terms energy: -201.714003
where:
bonds (distance) C4'-P energy: -55.685
bonds (distance) P-C4' energy: -57.284
flat angles C4'-P-C4' energy: -50.539
flat angles P-C4'-P energy: -29.359
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: 3
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -343.869711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.869711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.869711 (E_RNA)
where:
Base-Base interactions energy: -168.193
where: short stacking energy: -107.730
Base-Backbone interact. energy: 0.464
local terms energy: -176.140482
where:
bonds (distance) C4'-P energy: -47.047
bonds (distance) P-C4' energy: -49.836
flat angles C4'-P-C4' energy: -37.821
flat angles P-C4'-P energy: -22.024
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: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1022.294039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.294039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.294039 (E_RNA)
where:
Base-Base interactions energy: -687.099
where: short stacking energy: -308.116
Base-Backbone interact. energy: -0.870
local terms energy: -334.325353
where:
bonds (distance) C4'-P energy: -65.045
bonds (distance) P-C4' energy: -61.749
flat angles C4'-P-C4' energy: -66.733
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: -96.401
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: 2, replica: 7
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -998.394923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.394923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.394923 (E_RNA)
where:
Base-Base interactions energy: -690.469
where: short stacking energy: -283.292
Base-Backbone interact. energy: -2.038
local terms energy: -305.887931
where:
bonds (distance) C4'-P energy: -51.139
bonds (distance) P-C4' energy: -60.169
flat angles C4'-P-C4' energy: -65.230
flat angles P-C4'-P energy: -39.824
tors. eta vs tors. theta energy: -89.526
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: 8
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -922.146607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.146607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.146607 (E_RNA)
where:
Base-Base interactions energy: -622.642
where: short stacking energy: -280.807
Base-Backbone interact. energy: -0.799
local terms energy: -298.706300
where:
bonds (distance) C4'-P energy: -60.805
bonds (distance) P-C4' energy: -48.371
flat angles C4'-P-C4' energy: -61.231
flat angles P-C4'-P energy: -44.404
tors. eta vs tors. theta energy: -83.895
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: 2
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -854.771093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.771093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.771093 (E_RNA)
where:
Base-Base interactions energy: -561.932
where: short stacking energy: -267.708
Base-Backbone interact. energy: -1.107
local terms energy: -291.731852
where:
bonds (distance) C4'-P energy: -48.840
bonds (distance) P-C4' energy: -52.607
flat angles C4'-P-C4' energy: -62.703
flat angles P-C4'-P energy: -39.933
tors. eta vs tors. theta energy: -87.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -883.095808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.095808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.095808 (E_RNA)
where:
Base-Base interactions energy: -607.237
where: short stacking energy: -258.995
Base-Backbone interact. energy: -2.413
local terms energy: -273.445416
where:
bonds (distance) C4'-P energy: -48.277
bonds (distance) P-C4' energy: -47.763
flat angles C4'-P-C4' energy: -59.176
flat angles P-C4'-P energy: -42.601
tors. eta vs tors. theta energy: -75.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -769.593113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.593113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.593113 (E_RNA)
where:
Base-Base interactions energy: -500.127
where: short stacking energy: -233.412
Base-Backbone interact. energy: -1.491
local terms energy: -267.975155
where:
bonds (distance) C4'-P energy: -48.441
bonds (distance) P-C4' energy: -48.396
flat angles C4'-P-C4' energy: -64.148
flat angles P-C4'-P energy: -36.947
tors. eta vs tors. theta energy: -70.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -722.106926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.106926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.106926 (E_RNA)
where:
Base-Base interactions energy: -488.139
where: short stacking energy: -192.808
Base-Backbone interact. energy: 0.463
local terms energy: -234.430675
where:
bonds (distance) C4'-P energy: -47.860
bonds (distance) P-C4' energy: -40.359
flat angles C4'-P-C4' energy: -57.750
flat angles P-C4'-P energy: -39.777
tors. eta vs tors. theta energy: -48.684
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: 9
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -545.420678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.420678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.420678 (E_RNA)
where:
Base-Base interactions energy: -334.899
where: short stacking energy: -174.750
Base-Backbone interact. energy: -0.193
local terms energy: -210.328724
where:
bonds (distance) C4'-P energy: -34.278
bonds (distance) P-C4' energy: -53.082
flat angles C4'-P-C4' energy: -58.525
flat angles P-C4'-P energy: -32.924
tors. eta vs tors. theta energy: -31.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -452.508466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -452.508466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -452.508466 (E_RNA)
where:
Base-Base interactions energy: -266.457
where: short stacking energy: -125.337
Base-Backbone interact. energy: -0.893
local terms energy: -185.158464
where:
bonds (distance) C4'-P energy: -45.344
bonds (distance) P-C4' energy: -49.300
flat angles C4'-P-C4' energy: -45.264
flat angles P-C4'-P energy: -31.799
tors. eta vs tors. theta energy: -13.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -333.708118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -333.708118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -333.708118 (E_RNA)
where:
Base-Base interactions energy: -188.940
where: short stacking energy: -88.783
Base-Backbone interact. energy: -0.620
local terms energy: -144.148214
where:
bonds (distance) C4'-P energy: -33.422
bonds (distance) P-C4' energy: -52.724
flat angles C4'-P-C4' energy: -41.559
flat angles P-C4'-P energy: -21.397
tors. eta vs tors. theta energy: 4.954
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: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1030.970557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.970557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.970557 (E_RNA)
where:
Base-Base interactions energy: -713.550
where: short stacking energy: -303.344
Base-Backbone interact. energy: -0.816
local terms energy: -316.604458
where:
bonds (distance) C4'-P energy: -51.968
bonds (distance) P-C4' energy: -56.351
flat angles C4'-P-C4' energy: -65.451
flat angles P-C4'-P energy: -48.518
tors. eta vs tors. theta energy: -94.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1011.915371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.915371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.915371 (E_RNA)
where:
Base-Base interactions energy: -704.313
where: short stacking energy: -290.184
Base-Backbone interact. energy: -2.289
local terms energy: -305.313221
where:
bonds (distance) C4'-P energy: -56.926
bonds (distance) P-C4' energy: -58.914
flat angles C4'-P-C4' energy: -59.889
flat angles P-C4'-P energy: -42.798
tors. eta vs tors. theta energy: -86.786
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: 8
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -923.658695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.658695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.658695 (E_RNA)
where:
Base-Base interactions energy: -633.072
where: short stacking energy: -272.669
Base-Backbone interact. energy: -1.529
local terms energy: -289.056919
where:
bonds (distance) C4'-P energy: -48.797
bonds (distance) P-C4' energy: -62.732
flat angles C4'-P-C4' energy: -59.990
flat angles P-C4'-P energy: -35.360
tors. eta vs tors. theta energy: -82.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -876.860648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.860648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.860648 (E_RNA)
where:
Base-Base interactions energy: -586.317
where: short stacking energy: -267.530
Base-Backbone interact. energy: -1.390
local terms energy: -289.154037
where:
bonds (distance) C4'-P energy: -50.913
bonds (distance) P-C4' energy: -52.041
flat angles C4'-P-C4' energy: -61.706
flat angles P-C4'-P energy: -40.892
tors. eta vs tors. theta energy: -83.602
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: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -883.985550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.985550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.985550 (E_RNA)
where:
Base-Base interactions energy: -609.236
where: short stacking energy: -256.460
Base-Backbone interact. energy: -0.378
local terms energy: -274.371664
where:
bonds (distance) C4'-P energy: -53.189
bonds (distance) P-C4' energy: -49.284
flat angles C4'-P-C4' energy: -55.178
flat angles P-C4'-P energy: -42.336
tors. eta vs tors. theta energy: -74.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -770.745597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.745597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.745597 (E_RNA)
where:
Base-Base interactions energy: -513.368
where: short stacking energy: -228.733
Base-Backbone interact. energy: -1.048
local terms energy: -256.328978
where:
bonds (distance) C4'-P energy: -40.145
bonds (distance) P-C4' energy: -59.462
flat angles C4'-P-C4' energy: -60.076
flat angles P-C4'-P energy: -39.175
tors. eta vs tors. theta energy: -57.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -754.002848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.002848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.002848 (E_RNA)
where:
Base-Base interactions energy: -510.795
where: short stacking energy: -218.503
Base-Backbone interact. energy: -0.536
local terms energy: -242.671866
where:
bonds (distance) C4'-P energy: -41.381
bonds (distance) P-C4' energy: -58.068
flat angles C4'-P-C4' energy: -55.756
flat angles P-C4'-P energy: -28.527
tors. eta vs tors. theta energy: -58.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -586.019792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.019792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.019792 (E_RNA)
where:
Base-Base interactions energy: -382.187
where: short stacking energy: -169.385
Base-Backbone interact. energy: 1.393
local terms energy: -205.225421
where:
bonds (distance) C4'-P energy: -46.058
bonds (distance) P-C4' energy: -52.591
flat angles C4'-P-C4' energy: -50.422
flat angles P-C4'-P energy: -26.267
tors. eta vs tors. theta energy: -29.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -470.337132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -470.337132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -470.337132 (E_RNA)
where:
Base-Base interactions energy: -259.768
where: short stacking energy: -129.471
Base-Backbone interact. energy: 0.055
local terms energy: -210.624142
where:
bonds (distance) C4'-P energy: -49.592
bonds (distance) P-C4' energy: -50.454
flat angles C4'-P-C4' energy: -51.877
flat angles P-C4'-P energy: -31.278
tors. eta vs tors. theta energy: -27.423
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: 361
Temperature: 1.350000
Total energy: -364.002662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.002662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.002662 (E_RNA)
where:
Base-Base interactions energy: -190.253
where: short stacking energy: -94.358
Base-Backbone interact. energy: -1.636
local terms energy: -172.113085
where:
bonds (distance) C4'-P energy: -45.374
bonds (distance) P-C4' energy: -57.521
flat angles C4'-P-C4' energy: -47.596
flat angles P-C4'-P energy: -25.993
tors. eta vs tors. theta energy: 4.371
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: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1018.327393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.327393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.327393 (E_RNA)
where:
Base-Base interactions energy: -701.101
where: short stacking energy: -295.086
Base-Backbone interact. energy: -0.751
local terms energy: -316.475976
where:
bonds (distance) C4'-P energy: -49.406
bonds (distance) P-C4' energy: -56.792
flat angles C4'-P-C4' energy: -66.327
flat angles P-C4'-P energy: -48.692
tors. eta vs tors. theta energy: -95.259
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: 2, replica: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1005.790293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.790293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.790293 (E_RNA)
where:
Base-Base interactions energy: -708.070
where: short stacking energy: -295.084
Base-Backbone interact. energy: -1.843
local terms energy: -295.876542
where:
bonds (distance) C4'-P energy: -44.646
bonds (distance) P-C4' energy: -61.292
flat angles C4'-P-C4' energy: -59.328
flat angles P-C4'-P energy: -43.501
tors. eta vs tors. theta energy: -87.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -920.265944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.265944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.265944 (E_RNA)
where:
Base-Base interactions energy: -623.746
where: short stacking energy: -268.036
Base-Backbone interact. energy: -3.071
local terms energy: -293.448436
where:
bonds (distance) C4'-P energy: -56.025
bonds (distance) P-C4' energy: -55.545
flat angles C4'-P-C4' energy: -61.138
flat angles P-C4'-P energy: -39.990
tors. eta vs tors. theta energy: -80.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -896.005906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.005906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.005906 (E_RNA)
where:
Base-Base interactions energy: -596.153
where: short stacking energy: -279.837
Base-Backbone interact. energy: -0.162
local terms energy: -299.691053
where:
bonds (distance) C4'-P energy: -46.880
bonds (distance) P-C4' energy: -56.666
flat angles C4'-P-C4' energy: -62.736
flat angles P-C4'-P energy: -43.688
tors. eta vs tors. theta energy: -89.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -888.645661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.645661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.645661 (E_RNA)
where:
Base-Base interactions energy: -607.436
where: short stacking energy: -270.936
Base-Backbone interact. energy: -2.703
local terms energy: -278.507161
where:
bonds (distance) C4'-P energy: -49.596
bonds (distance) P-C4' energy: -57.653
flat angles C4'-P-C4' energy: -53.122
flat angles P-C4'-P energy: -38.186
tors. eta vs tors. theta energy: -79.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -732.014493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.014493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.014493 (E_RNA)
where:
Base-Base interactions energy: -484.838
where: short stacking energy: -215.755
Base-Backbone interact. energy: -0.338
local terms energy: -246.838466
where:
bonds (distance) C4'-P energy: -41.264
bonds (distance) P-C4' energy: -48.241
flat angles C4'-P-C4' energy: -53.712
flat angles P-C4'-P energy: -40.318
tors. eta vs tors. theta energy: -63.303
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: 9
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -604.973846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -604.973846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -604.973846 (E_RNA)
where:
Base-Base interactions energy: -388.857
where: short stacking energy: -174.853
Base-Backbone interact. energy: -0.440
local terms energy: -215.676725
where:
bonds (distance) C4'-P energy: -30.253
bonds (distance) P-C4' energy: -55.210
flat angles C4'-P-C4' energy: -55.458
flat angles P-C4'-P energy: -41.574
tors. eta vs tors. theta energy: -33.181
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: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -668.640893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -668.640893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -668.640893 (E_RNA)
where:
Base-Base interactions energy: -448.514
where: short stacking energy: -201.965
Base-Backbone interact. energy: 0.112
local terms energy: -220.239299
where:
bonds (distance) C4'-P energy: -47.561
bonds (distance) P-C4' energy: -48.736
flat angles C4'-P-C4' energy: -48.305
flat angles P-C4'-P energy: -31.092
tors. eta vs tors. theta energy: -44.545
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: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -453.545154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.545154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.545154 (E_RNA)
where:
Base-Base interactions energy: -268.458
where: short stacking energy: -128.696
Base-Backbone interact. energy: -0.169
local terms energy: -184.919092
where:
bonds (distance) C4'-P energy: -41.295
bonds (distance) P-C4' energy: -49.838
flat angles C4'-P-C4' energy: -48.058
flat angles P-C4'-P energy: -23.239
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -381.117126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.117126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.117126 (E_RNA)
where:
Base-Base interactions energy: -197.973
where: short stacking energy: -97.162
Base-Backbone interact. energy: 1.167
local terms energy: -184.310597
where:
bonds (distance) C4'-P energy: -45.138
bonds (distance) P-C4' energy: -53.507
flat angles C4'-P-C4' energy: -37.579
flat angles P-C4'-P energy: -31.344
tors. eta vs tors. theta energy: -16.743
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: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1026.315774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.315774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.315774 (E_RNA)
where:
Base-Base interactions energy: -706.674
where: short stacking energy: -316.640
Base-Backbone interact. energy: -0.909
local terms energy: -318.732439
where:
bonds (distance) C4'-P energy: -46.795
bonds (distance) P-C4' energy: -56.811
flat angles C4'-P-C4' energy: -68.449
flat angles P-C4'-P energy: -48.353
tors. eta vs tors. theta energy: -98.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1018.721115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.721115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.721115 (E_RNA)
where:
Base-Base interactions energy: -713.636
where: short stacking energy: -306.022
Base-Backbone interact. energy: -1.170
local terms energy: -303.914732
where:
bonds (distance) C4'-P energy: -56.116
bonds (distance) P-C4' energy: -54.303
flat angles C4'-P-C4' energy: -60.719
flat angles P-C4'-P energy: -44.020
tors. eta vs tors. theta energy: -88.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -926.195166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -926.195166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -926.195166 (E_RNA)
where:
Base-Base interactions energy: -624.071
where: short stacking energy: -287.978
Base-Backbone interact. energy: -1.262
local terms energy: -300.862136
where:
bonds (distance) C4'-P energy: -56.290
bonds (distance) P-C4' energy: -57.709
flat angles C4'-P-C4' energy: -54.290
flat angles P-C4'-P energy: -44.465
tors. eta vs tors. theta energy: -88.108
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: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -908.466649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.466649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.466649 (E_RNA)
where:
Base-Base interactions energy: -620.339
where: short stacking energy: -268.282
Base-Backbone interact. energy: -0.632
local terms energy: -287.495849
where:
bonds (distance) C4'-P energy: -57.288
bonds (distance) P-C4' energy: -52.221
flat angles C4'-P-C4' energy: -57.569
flat angles P-C4'-P energy: -38.831
tors. eta vs tors. theta energy: -81.586
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: 5, replica: 2
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -839.216518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.216518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.216518 (E_RNA)
where:
Base-Base interactions energy: -560.021
where: short stacking energy: -267.108
Base-Backbone interact. energy: -0.671
local terms energy: -278.523932
where:
bonds (distance) C4'-P energy: -43.354
bonds (distance) P-C4' energy: -56.599
flat angles C4'-P-C4' energy: -61.102
flat angles P-C4'-P energy: -42.009
tors. eta vs tors. theta energy: -75.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -728.666341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.666341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.666341 (E_RNA)
where:
Base-Base interactions energy: -480.952
where: short stacking energy: -204.467
Base-Backbone interact. energy: -0.801
local terms energy: -246.913304
where:
bonds (distance) C4'-P energy: -45.590
bonds (distance) P-C4' energy: -43.237
flat angles C4'-P-C4' energy: -55.820
flat angles P-C4'-P energy: -44.106
tors. eta vs tors. theta energy: -58.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -584.481939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.481939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.481939 (E_RNA)
where:
Base-Base interactions energy: -371.727
where: short stacking energy: -177.482
Base-Backbone interact. energy: -1.122
local terms energy: -211.632988
where:
bonds (distance) C4'-P energy: -46.179
bonds (distance) P-C4' energy: -51.935
flat angles C4'-P-C4' energy: -50.315
flat angles P-C4'-P energy: -27.798
tors. eta vs tors. theta energy: -35.405
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: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -694.849923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.849923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.849923 (E_RNA)
where:
Base-Base interactions energy: -470.739
where: short stacking energy: -217.026
Base-Backbone interact. energy: -0.622
local terms energy: -223.488742
where:
bonds (distance) C4'-P energy: -36.722
bonds (distance) P-C4' energy: -40.838
flat angles C4'-P-C4' energy: -51.284
flat angles P-C4'-P energy: -37.522
tors. eta vs tors. theta energy: -57.123
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: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -440.225062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -440.225062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -440.225062 (E_RNA)
where:
Base-Base interactions energy: -249.188
where: short stacking energy: -122.396
Base-Backbone interact. energy: -0.140
local terms energy: -190.897920
where:
bonds (distance) C4'-P energy: -42.890
bonds (distance) P-C4' energy: -42.872
flat angles C4'-P-C4' energy: -51.395
flat angles P-C4'-P energy: -30.891
tors. eta vs tors. theta energy: -22.850
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: 3
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -352.288101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.288101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.288101 (E_RNA)
where:
Base-Base interactions energy: -196.003
where: short stacking energy: -106.136
Base-Backbone interact. energy: -0.069
local terms energy: -156.216203
where:
bonds (distance) C4'-P energy: -41.889
bonds (distance) P-C4' energy: -50.179
flat angles C4'-P-C4' energy: -36.443
flat angles P-C4'-P energy: -30.039
tors. eta vs tors. theta energy: 2.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1026.096965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.096965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.096965 (E_RNA)
where:
Base-Base interactions energy: -709.411
where: short stacking energy: -300.018
Base-Backbone interact. energy: -3.037
local terms energy: -313.648754
where:
bonds (distance) C4'-P energy: -64.967
bonds (distance) P-C4' energy: -57.607
flat angles C4'-P-C4' energy: -63.208
flat angles P-C4'-P energy: -42.655
tors. eta vs tors. theta energy: -85.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1012.983289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.983289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.983289 (E_RNA)
where:
Base-Base interactions energy: -695.869
where: short stacking energy: -288.817
Base-Backbone interact. energy: -1.478
local terms energy: -315.636136
where:
bonds (distance) C4'-P energy: -54.971
bonds (distance) P-C4' energy: -53.955
flat angles C4'-P-C4' energy: -66.527
flat angles P-C4'-P energy: -44.250
tors. eta vs tors. theta energy: -95.933
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: 8
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -922.377178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.377178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.377178 (E_RNA)
where:
Base-Base interactions energy: -636.265
where: short stacking energy: -285.342
Base-Backbone interact. energy: -0.194
local terms energy: -285.917978
where:
bonds (distance) C4'-P energy: -52.946
bonds (distance) P-C4' energy: -55.435
flat angles C4'-P-C4' energy: -57.975
flat angles P-C4'-P energy: -43.460
tors. eta vs tors. theta energy: -76.102
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: 4, replica: 1
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -916.595064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.595064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.595064 (E_RNA)
where:
Base-Base interactions energy: -633.870
where: short stacking energy: -264.500
Base-Backbone interact. energy: -1.626
local terms energy: -281.099003
where:
bonds (distance) C4'-P energy: -56.792
bonds (distance) P-C4' energy: -49.976
flat angles C4'-P-C4' energy: -53.055
flat angles P-C4'-P energy: -34.940
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: 5, replica: 2
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -835.680085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.680085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.680085 (E_RNA)
where:
Base-Base interactions energy: -553.470
where: short stacking energy: -246.868
Base-Backbone interact. energy: -0.416
local terms energy: -281.794188
where:
bonds (distance) C4'-P energy: -53.771
bonds (distance) P-C4' energy: -54.911
flat angles C4'-P-C4' energy: -54.555
flat angles P-C4'-P energy: -41.294
tors. eta vs tors. theta energy: -77.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -707.422355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.422355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.422355 (E_RNA)
where:
Base-Base interactions energy: -472.111
where: short stacking energy: -204.809
Base-Backbone interact. energy: 0.191
local terms energy: -235.502441
where:
bonds (distance) C4'-P energy: -51.585
bonds (distance) P-C4' energy: -48.318
flat angles C4'-P-C4' energy: -45.849
flat angles P-C4'-P energy: -39.500
tors. eta vs tors. theta energy: -50.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -707.074759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.074759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.074759 (E_RNA)
where:
Base-Base interactions energy: -484.687
where: short stacking energy: -205.389
Base-Backbone interact. energy: -1.351
local terms energy: -221.036107
where:
bonds (distance) C4'-P energy: -45.282
bonds (distance) P-C4' energy: -46.214
flat angles C4'-P-C4' energy: -59.466
flat angles P-C4'-P energy: -26.659
tors. eta vs tors. theta energy: -43.414
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: 9
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -564.713865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.713865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.713865 (E_RNA)
where:
Base-Base interactions energy: -357.009
where: short stacking energy: -159.912
Base-Backbone interact. energy: -1.441
local terms energy: -206.263798
where:
bonds (distance) C4'-P energy: -38.809
bonds (distance) P-C4' energy: -53.154
flat angles C4'-P-C4' energy: -45.784
flat angles P-C4'-P energy: -35.794
tors. eta vs tors. theta energy: -32.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -476.981044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.981044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.981044 (E_RNA)
where:
Base-Base interactions energy: -283.507
where: short stacking energy: -134.274
Base-Backbone interact. energy: -1.159
local terms energy: -192.315234
where:
bonds (distance) C4'-P energy: -41.217
bonds (distance) P-C4' energy: -45.624
flat angles C4'-P-C4' energy: -52.433
flat angles P-C4'-P energy: -25.747
tors. eta vs tors. theta energy: -27.295
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: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -375.468367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.468367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.468367 (E_RNA)
where:
Base-Base interactions energy: -212.567
where: short stacking energy: -127.781
Base-Backbone interact. energy: -0.545
local terms energy: -162.356751
where:
bonds (distance) C4'-P energy: -48.405
bonds (distance) P-C4' energy: -40.727
flat angles C4'-P-C4' energy: -42.239
flat angles P-C4'-P energy: -19.484
tors. eta vs tors. theta energy: -11.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1012.793857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.793857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.793857 (E_RNA)
where:
Base-Base interactions energy: -726.856
where: short stacking energy: -299.582
Base-Backbone interact. energy: -1.302
local terms energy: -284.635302
where:
bonds (distance) C4'-P energy: -52.746
bonds (distance) P-C4' energy: -42.776
flat angles C4'-P-C4' energy: -61.380
flat angles P-C4'-P energy: -38.174
tors. eta vs tors. theta energy: -89.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -996.306401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.306401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.306401 (E_RNA)
where:
Base-Base interactions energy: -684.703
where: short stacking energy: -295.999
Base-Backbone interact. energy: -1.672
local terms energy: -309.931130
where:
bonds (distance) C4'-P energy: -59.261
bonds (distance) P-C4' energy: -45.176
flat angles C4'-P-C4' energy: -65.560
flat angles P-C4'-P energy: -43.848
tors. eta vs tors. theta energy: -96.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -923.324410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.324410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.324410 (E_RNA)
where:
Base-Base interactions energy: -638.025
where: short stacking energy: -283.304
Base-Backbone interact. energy: 3.588
local terms energy: -288.887514
where:
bonds (distance) C4'-P energy: -49.279
bonds (distance) P-C4' energy: -56.010
flat angles C4'-P-C4' energy: -64.596
flat angles P-C4'-P energy: -39.164
tors. eta vs tors. theta energy: -79.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -894.902392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.902392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.902392 (E_RNA)
where:
Base-Base interactions energy: -612.426
where: short stacking energy: -264.107
Base-Backbone interact. energy: -2.339
local terms energy: -280.136863
where:
bonds (distance) C4'-P energy: -56.440
bonds (distance) P-C4' energy: -52.980
flat angles C4'-P-C4' energy: -61.058
flat angles P-C4'-P energy: -32.123
tors. eta vs tors. theta energy: -77.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -807.286582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.286582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.286582 (E_RNA)
where:
Base-Base interactions energy: -534.206
where: short stacking energy: -260.122
Base-Backbone interact. energy: -1.114
local terms energy: -271.965838
where:
bonds (distance) C4'-P energy: -61.972
bonds (distance) P-C4' energy: -43.534
flat angles C4'-P-C4' energy: -58.526
flat angles P-C4'-P energy: -35.002
tors. eta vs tors. theta energy: -72.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -807.698618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.698618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.698618 (E_RNA)
where:
Base-Base interactions energy: -545.874
where: short stacking energy: -237.087
Base-Backbone interact. energy: -1.629
local terms energy: -260.195512
where:
bonds (distance) C4'-P energy: -51.073
bonds (distance) P-C4' energy: -46.410
flat angles C4'-P-C4' energy: -57.093
flat angles P-C4'-P energy: -36.821
tors. eta vs tors. theta energy: -68.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -681.756811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.756811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.756811 (E_RNA)
where:
Base-Base interactions energy: -450.251
where: short stacking energy: -205.497
Base-Backbone interact. energy: -1.230
local terms energy: -230.275217
where:
bonds (distance) C4'-P energy: -59.578
bonds (distance) P-C4' energy: -44.605
flat angles C4'-P-C4' energy: -46.061
flat angles P-C4'-P energy: -36.560
tors. eta vs tors. theta energy: -43.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -591.223891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.223891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.223891 (E_RNA)
where:
Base-Base interactions energy: -392.394
where: short stacking energy: -177.661
Base-Backbone interact. energy: -1.458
local terms energy: -197.371896
where:
bonds (distance) C4'-P energy: -42.471
bonds (distance) P-C4' energy: -45.870
flat angles C4'-P-C4' energy: -44.484
flat angles P-C4'-P energy: -30.913
tors. eta vs tors. theta energy: -33.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -436.269492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.269492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.269492 (E_RNA)
where:
Base-Base interactions energy: -245.290
where: short stacking energy: -111.049
Base-Backbone interact. energy: 2.468
local terms energy: -193.447780
where:
bonds (distance) C4'-P energy: -42.042
bonds (distance) P-C4' energy: -60.856
flat angles C4'-P-C4' energy: -39.864
flat angles P-C4'-P energy: -32.653
tors. eta vs tors. theta energy: -18.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -348.805920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.805920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.805920 (E_RNA)
where:
Base-Base interactions energy: -181.912
where: short stacking energy: -109.401
Base-Backbone interact. energy: -0.049
local terms energy: -166.844846
where:
bonds (distance) C4'-P energy: -47.856
bonds (distance) P-C4' energy: -42.290
flat angles C4'-P-C4' energy: -36.800
flat angles P-C4'-P energy: -35.090
tors. eta vs tors. theta energy: -4.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1011.259110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.259110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.259110 (E_RNA)
where:
Base-Base interactions energy: -700.971
where: short stacking energy: -303.446
Base-Backbone interact. energy: -0.171
local terms energy: -310.117212
where:
bonds (distance) C4'-P energy: -57.950
bonds (distance) P-C4' energy: -58.861
flat angles C4'-P-C4' energy: -62.974
flat angles P-C4'-P energy: -40.679
tors. eta vs tors. theta energy: -89.654
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: 366
Temperature: 0.950000
Total energy: -993.603381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.603381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.603381 (E_RNA)
where:
Base-Base interactions energy: -692.660
where: short stacking energy: -296.231
Base-Backbone interact. energy: -0.724
local terms energy: -300.219295
where:
bonds (distance) C4'-P energy: -49.983
bonds (distance) P-C4' energy: -54.417
flat angles C4'-P-C4' energy: -61.791
flat angles P-C4'-P energy: -42.312
tors. eta vs tors. theta energy: -91.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -929.610019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.610019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.610019 (E_RNA)
where:
Base-Base interactions energy: -628.396
where: short stacking energy: -266.232
Base-Backbone interact. energy: -1.175
local terms energy: -300.038396
where:
bonds (distance) C4'-P energy: -54.645
bonds (distance) P-C4' energy: -63.186
flat angles C4'-P-C4' energy: -57.807
flat angles P-C4'-P energy: -43.362
tors. eta vs tors. theta energy: -81.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -875.286132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.286132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.286132 (E_RNA)
where:
Base-Base interactions energy: -585.029
where: short stacking energy: -253.134
Base-Backbone interact. energy: -0.434
local terms energy: -289.822643
where:
bonds (distance) C4'-P energy: -60.544
bonds (distance) P-C4' energy: -50.237
flat angles C4'-P-C4' energy: -59.441
flat angles P-C4'-P energy: -45.592
tors. eta vs tors. theta energy: -74.008
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: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -835.562464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.562464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.562464 (E_RNA)
where:
Base-Base interactions energy: -569.703
where: short stacking energy: -249.026
Base-Backbone interact. energy: -1.085
local terms energy: -264.774236
where:
bonds (distance) C4'-P energy: -49.280
bonds (distance) P-C4' energy: -54.009
flat angles C4'-P-C4' energy: -57.456
flat angles P-C4'-P energy: -30.746
tors. eta vs tors. theta energy: -73.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -780.009960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.009960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.009960 (E_RNA)
where:
Base-Base interactions energy: -524.206
where: short stacking energy: -236.337
Base-Backbone interact. energy: 0.106
local terms energy: -255.910020
where:
bonds (distance) C4'-P energy: -41.341
bonds (distance) P-C4' energy: -55.008
flat angles C4'-P-C4' energy: -56.506
flat angles P-C4'-P energy: -38.450
tors. eta vs tors. theta energy: -64.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -704.145631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -704.145631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -704.145631 (E_RNA)
where:
Base-Base interactions energy: -472.755
where: short stacking energy: -198.080
Base-Backbone interact. energy: -2.232
local terms energy: -229.159004
where:
bonds (distance) C4'-P energy: -46.121
bonds (distance) P-C4' energy: -50.726
flat angles C4'-P-C4' energy: -49.625
flat angles P-C4'-P energy: -32.128
tors. eta vs tors. theta energy: -50.559
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: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -585.359235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.359235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.359235 (E_RNA)
where:
Base-Base interactions energy: -380.053
where: short stacking energy: -185.864
Base-Backbone interact. energy: 1.191
local terms energy: -206.497401
where:
bonds (distance) C4'-P energy: -45.985
bonds (distance) P-C4' energy: -39.347
flat angles C4'-P-C4' energy: -48.745
flat angles P-C4'-P energy: -33.582
tors. eta vs tors. theta energy: -38.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -448.545198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -448.545198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -448.545198 (E_RNA)
where:
Base-Base interactions energy: -247.312
where: short stacking energy: -135.943
Base-Backbone interact. energy: -1.298
local terms energy: -199.936067
where:
bonds (distance) C4'-P energy: -43.841
bonds (distance) P-C4' energy: -53.596
flat angles C4'-P-C4' energy: -46.440
flat angles P-C4'-P energy: -28.801
tors. eta vs tors. theta energy: -27.259
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: 3
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -346.254557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.254557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.254557 (E_RNA)
where:
Base-Base interactions energy: -192.666
where: short stacking energy: -114.290
Base-Backbone interact. energy: 6.052
local terms energy: -159.640253
where:
bonds (distance) C4'-P energy: -46.639
bonds (distance) P-C4' energy: -46.857
flat angles C4'-P-C4' energy: -46.524
flat angles P-C4'-P energy: -20.307
tors. eta vs tors. theta energy: 0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1014.504103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.504103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.504103 (E_RNA)
where:
Base-Base interactions energy: -690.681
where: short stacking energy: -311.759
Base-Backbone interact. energy: -1.560
local terms energy: -322.263281
where:
bonds (distance) C4'-P energy: -54.753
bonds (distance) P-C4' energy: -62.203
flat angles C4'-P-C4' energy: -64.466
flat angles P-C4'-P energy: -45.920
tors. eta vs tors. theta energy: -94.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -968.147570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -968.147570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -968.147570 (E_RNA)
where:
Base-Base interactions energy: -686.169
where: short stacking energy: -295.834
Base-Backbone interact. energy: 0.343
local terms energy: -282.321805
where:
bonds (distance) C4'-P energy: -39.203
bonds (distance) P-C4' energy: -56.953
flat angles C4'-P-C4' energy: -61.845
flat angles P-C4'-P energy: -44.111
tors. eta vs tors. theta energy: -80.210
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: 367
Temperature: 1.000000
Total energy: -930.488157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.488157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.488157 (E_RNA)
where:
Base-Base interactions energy: -629.359
where: short stacking energy: -278.272
Base-Backbone interact. energy: -0.893
local terms energy: -300.235917
where:
bonds (distance) C4'-P energy: -47.052
bonds (distance) P-C4' energy: -50.831
flat angles C4'-P-C4' energy: -69.852
flat angles P-C4'-P energy: -42.901
tors. eta vs tors. theta energy: -89.600
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: 1
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -891.308735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.308735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.308735 (E_RNA)
where:
Base-Base interactions energy: -618.031
where: short stacking energy: -256.021
Base-Backbone interact. energy: -1.675
local terms energy: -271.602666
where:
bonds (distance) C4'-P energy: -47.028
bonds (distance) P-C4' energy: -53.380
flat angles C4'-P-C4' energy: -63.612
flat angles P-C4'-P energy: -35.812
tors. eta vs tors. theta energy: -71.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -824.834981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.834981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.834981 (E_RNA)
where:
Base-Base interactions energy: -564.007
where: short stacking energy: -250.340
Base-Backbone interact. energy: -0.344
local terms energy: -260.484003
where:
bonds (distance) C4'-P energy: -41.306
bonds (distance) P-C4' energy: -50.188
flat angles C4'-P-C4' energy: -56.612
flat angles P-C4'-P energy: -43.977
tors. eta vs tors. theta energy: -68.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -812.163746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.163746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.163746 (E_RNA)
where:
Base-Base interactions energy: -533.702
where: short stacking energy: -256.493
Base-Backbone interact. energy: -2.673
local terms energy: -275.788261
where:
bonds (distance) C4'-P energy: -51.132
bonds (distance) P-C4' energy: -44.337
flat angles C4'-P-C4' energy: -62.670
flat angles P-C4'-P energy: -33.865
tors. eta vs tors. theta energy: -83.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -720.186215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.186215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.186215 (E_RNA)
where:
Base-Base interactions energy: -475.137
where: short stacking energy: -216.492
Base-Backbone interact. energy: 2.427
local terms energy: -247.476516
where:
bonds (distance) C4'-P energy: -54.221
bonds (distance) P-C4' energy: -51.177
flat angles C4'-P-C4' energy: -53.821
flat angles P-C4'-P energy: -40.393
tors. eta vs tors. theta energy: -47.865
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: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -611.396200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.396200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.396200 (E_RNA)
where:
Base-Base interactions energy: -385.569
where: short stacking energy: -186.608
Base-Backbone interact. energy: -0.147
local terms energy: -225.679753
where:
bonds (distance) C4'-P energy: -53.398
bonds (distance) P-C4' energy: -48.515
flat angles C4'-P-C4' energy: -54.725
flat angles P-C4'-P energy: -22.486
tors. eta vs tors. theta energy: -46.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -441.036272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.036272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.036272 (E_RNA)
where:
Base-Base interactions energy: -253.584
where: short stacking energy: -129.477
Base-Backbone interact. energy: 0.646
local terms energy: -188.098012
where:
bonds (distance) C4'-P energy: -50.124
bonds (distance) P-C4' energy: -51.457
flat angles C4'-P-C4' energy: -43.345
flat angles P-C4'-P energy: -23.554
tors. eta vs tors. theta energy: -19.617
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: 3
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -323.414853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.414853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.414853 (E_RNA)
where:
Base-Base interactions energy: -161.277
where: short stacking energy: -104.201
Base-Backbone interact. energy: -0.029
local terms energy: -162.108958
where:
bonds (distance) C4'-P energy: -34.045
bonds (distance) P-C4' energy: -47.157
flat angles C4'-P-C4' energy: -42.697
flat angles P-C4'-P energy: -24.891
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1022.141863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.141863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.141863 (E_RNA)
where:
Base-Base interactions energy: -701.809
where: short stacking energy: -302.538
Base-Backbone interact. energy: -1.966
local terms energy: -318.366611
where:
bonds (distance) C4'-P energy: -58.335
bonds (distance) P-C4' energy: -61.989
flat angles C4'-P-C4' energy: -65.059
flat angles P-C4'-P energy: -45.453
tors. eta vs tors. theta energy: -87.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -994.966239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.966239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.966239 (E_RNA)
where:
Base-Base interactions energy: -687.003
where: short stacking energy: -300.564
Base-Backbone interact. energy: -0.356
local terms energy: -307.606439
where:
bonds (distance) C4'-P energy: -59.608
bonds (distance) P-C4' energy: -56.567
flat angles C4'-P-C4' energy: -63.599
flat angles P-C4'-P energy: -39.432
tors. eta vs tors. theta energy: -88.401
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: 368
Temperature: 1.000000
Total energy: -915.762022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.762022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.762022 (E_RNA)
where:
Base-Base interactions energy: -615.218
where: short stacking energy: -277.002
Base-Backbone interact. energy: 1.688
local terms energy: -302.231839
where:
bonds (distance) C4'-P energy: -53.033
bonds (distance) P-C4' energy: -55.588
flat angles C4'-P-C4' energy: -61.075
flat angles P-C4'-P energy: -42.423
tors. eta vs tors. theta energy: -90.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -909.069285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -909.069285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -909.069285 (E_RNA)
where:
Base-Base interactions energy: -631.696
where: short stacking energy: -258.986
Base-Backbone interact. energy: -0.310
local terms energy: -277.062607
where:
bonds (distance) C4'-P energy: -48.509
bonds (distance) P-C4' energy: -51.468
flat angles C4'-P-C4' energy: -58.831
flat angles P-C4'-P energy: -43.353
tors. eta vs tors. theta energy: -74.902
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: 2
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -837.784418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.784418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.784418 (E_RNA)
where:
Base-Base interactions energy: -573.121
where: short stacking energy: -271.207
Base-Backbone interact. energy: 0.404
local terms energy: -265.067248
where:
bonds (distance) C4'-P energy: -48.510
bonds (distance) P-C4' energy: -41.668
flat angles C4'-P-C4' energy: -56.541
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -79.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -791.790417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.790417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.790417 (E_RNA)
where:
Base-Base interactions energy: -534.315
where: short stacking energy: -239.374
Base-Backbone interact. energy: 0.310
local terms energy: -257.785247
where:
bonds (distance) C4'-P energy: -44.465
bonds (distance) P-C4' energy: -48.172
flat angles C4'-P-C4' energy: -59.107
flat angles P-C4'-P energy: -37.220
tors. eta vs tors. theta energy: -68.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -740.400868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.400868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.400868 (E_RNA)
where:
Base-Base interactions energy: -493.798
where: short stacking energy: -228.897
Base-Backbone interact. energy: -0.999
local terms energy: -245.603951
where:
bonds (distance) C4'-P energy: -44.686
bonds (distance) P-C4' energy: -50.628
flat angles C4'-P-C4' energy: -58.902
flat angles P-C4'-P energy: -32.577
tors. eta vs tors. theta energy: -58.811
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: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -551.519238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -551.519238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -551.519238 (E_RNA)
where:
Base-Base interactions energy: -349.499
where: short stacking energy: -178.328
Base-Backbone interact. energy: 0.039
local terms energy: -202.059372
where:
bonds (distance) C4'-P energy: -43.295
bonds (distance) P-C4' energy: -43.472
flat angles C4'-P-C4' energy: -42.217
flat angles P-C4'-P energy: -37.718
tors. eta vs tors. theta energy: -35.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -359.689414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.689414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.689414 (E_RNA)
where:
Base-Base interactions energy: -192.362
where: short stacking energy: -106.860
Base-Backbone interact. energy: -0.349
local terms energy: -166.978258
where:
bonds (distance) C4'-P energy: -43.914
bonds (distance) P-C4' energy: -49.313
flat angles C4'-P-C4' energy: -46.169
flat angles P-C4'-P energy: -19.600
tors. eta vs tors. theta energy: -7.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -427.425688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.425688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.425688 (E_RNA)
where:
Base-Base interactions energy: -253.316
where: short stacking energy: -117.548
Base-Backbone interact. energy: -1.388
local terms energy: -172.721365
where:
bonds (distance) C4'-P energy: -43.844
bonds (distance) P-C4' energy: -47.608
flat angles C4'-P-C4' energy: -45.750
flat angles P-C4'-P energy: -23.793
tors. eta vs tors. theta energy: -11.726
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: 4
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1012.819974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.819974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.819974 (E_RNA)
where:
Base-Base interactions energy: -690.850
where: short stacking energy: -298.404
Base-Backbone interact. energy: -1.912
local terms energy: -320.057570
where:
bonds (distance) C4'-P energy: -58.820
bonds (distance) P-C4' energy: -58.611
flat angles C4'-P-C4' energy: -65.086
flat angles P-C4'-P energy: -46.193
tors. eta vs tors. theta energy: -91.349
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: 7
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -992.476205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.476205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.476205 (E_RNA)
where:
Base-Base interactions energy: -691.664
where: short stacking energy: -291.165
Base-Backbone interact. energy: -0.300
local terms energy: -300.511915
where:
bonds (distance) C4'-P energy: -51.705
bonds (distance) P-C4' energy: -51.855
flat angles C4'-P-C4' energy: -64.797
flat angles P-C4'-P energy: -46.534
tors. eta vs tors. theta energy: -85.621
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: 8
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -922.394463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.394463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.394463 (E_RNA)
where:
Base-Base interactions energy: -626.350
where: short stacking energy: -288.712
Base-Backbone interact. energy: -0.490
local terms energy: -295.555433
where:
bonds (distance) C4'-P energy: -52.009
bonds (distance) P-C4' energy: -54.900
flat angles C4'-P-C4' energy: -55.881
flat angles P-C4'-P energy: -41.427
tors. eta vs tors. theta energy: -91.338
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: 369
Temperature: 1.050000
Total energy: -905.889384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.889384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.889384 (E_RNA)
where:
Base-Base interactions energy: -619.679
where: short stacking energy: -258.550
Base-Backbone interact. energy: -1.801
local terms energy: -284.408640
where:
bonds (distance) C4'-P energy: -52.210
bonds (distance) P-C4' energy: -53.888
flat angles C4'-P-C4' energy: -62.711
flat angles P-C4'-P energy: -36.932
tors. eta vs tors. theta energy: -78.669
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: 2
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -825.369125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.369125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.369125 (E_RNA)
where:
Base-Base interactions energy: -553.733
where: short stacking energy: -250.959
Base-Backbone interact. energy: -1.766
local terms energy: -269.870244
where:
bonds (distance) C4'-P energy: -52.961
bonds (distance) P-C4' energy: -58.728
flat angles C4'-P-C4' energy: -48.818
flat angles P-C4'-P energy: -34.823
tors. eta vs tors. theta energy: -74.539
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: 6, replica: 10
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -761.482271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.482271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.482271 (E_RNA)
where:
Base-Base interactions energy: -529.036
where: short stacking energy: -226.781
Base-Backbone interact. energy: -0.147
local terms energy: -232.299662
where:
bonds (distance) C4'-P energy: -48.003
bonds (distance) P-C4' energy: -47.432
flat angles C4'-P-C4' energy: -50.438
flat angles P-C4'-P energy: -26.120
tors. eta vs tors. theta energy: -60.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -780.361444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.361444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.361444 (E_RNA)
where:
Base-Base interactions energy: -520.693
where: short stacking energy: -234.999
Base-Backbone interact. energy: -1.941
local terms energy: -257.727143
where:
bonds (distance) C4'-P energy: -47.837
bonds (distance) P-C4' energy: -49.730
flat angles C4'-P-C4' energy: -51.933
flat angles P-C4'-P energy: -42.773
tors. eta vs tors. theta energy: -65.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -566.885922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.885922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.885922 (E_RNA)
where:
Base-Base interactions energy: -366.707
where: short stacking energy: -169.314
Base-Backbone interact. energy: -1.883
local terms energy: -198.295952
where:
bonds (distance) C4'-P energy: -47.399
bonds (distance) P-C4' energy: -41.667
flat angles C4'-P-C4' energy: -54.863
flat angles P-C4'-P energy: -25.652
tors. eta vs tors. theta energy: -28.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -384.683421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -384.683421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -384.683421 (E_RNA)
where:
Base-Base interactions energy: -220.919
where: short stacking energy: -106.006
Base-Backbone interact. energy: 0.888
local terms energy: -164.652469
where:
bonds (distance) C4'-P energy: -40.777
bonds (distance) P-C4' energy: -45.878
flat angles C4'-P-C4' energy: -44.575
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -20.570
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: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -458.222950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.222950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.222950 (E_RNA)
where:
Base-Base interactions energy: -263.615
where: short stacking energy: -127.893
Base-Backbone interact. energy: -0.695
local terms energy: -193.913001
where:
bonds (distance) C4'-P energy: -38.048
bonds (distance) P-C4' energy: -51.705
flat angles C4'-P-C4' energy: -41.694
flat angles P-C4'-P energy: -27.982
tors. eta vs tors. theta energy: -34.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1022.002166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.002166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.002166 (E_RNA)
where:
Base-Base interactions energy: -721.998
where: short stacking energy: -313.779
Base-Backbone interact. energy: 1.129
local terms energy: -301.133626
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -57.916
flat angles C4'-P-C4' energy: -66.928
flat angles P-C4'-P energy: -39.299
tors. eta vs tors. theta energy: -88.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -996.893021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.893021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.893021 (E_RNA)
where:
Base-Base interactions energy: -700.671
where: short stacking energy: -290.656
Base-Backbone interact. energy: -1.491
local terms energy: -294.731290
where:
bonds (distance) C4'-P energy: -53.498
bonds (distance) P-C4' energy: -55.427
flat angles C4'-P-C4' energy: -60.517
flat angles P-C4'-P energy: -36.163
tors. eta vs tors. theta energy: -89.127
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: 8
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -905.049736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.049736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.049736 (E_RNA)
where:
Base-Base interactions energy: -634.782
where: short stacking energy: -285.248
Base-Backbone interact. energy: -1.855
local terms energy: -268.412804
where:
bonds (distance) C4'-P energy: -43.221
bonds (distance) P-C4' energy: -46.299
flat angles C4'-P-C4' energy: -65.832
flat angles P-C4'-P energy: -39.190
tors. eta vs tors. theta energy: -73.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -913.244333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.244333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.244333 (E_RNA)
where:
Base-Base interactions energy: -634.091
where: short stacking energy: -276.549
Base-Backbone interact. energy: -0.248
local terms energy: -278.905464
where:
bonds (distance) C4'-P energy: -48.864
bonds (distance) P-C4' energy: -44.664
flat angles C4'-P-C4' energy: -62.047
flat angles P-C4'-P energy: -41.261
tors. eta vs tors. theta energy: -82.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -802.976884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.976884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.976884 (E_RNA)
where:
Base-Base interactions energy: -519.258
where: short stacking energy: -237.935
Base-Backbone interact. energy: -0.765
local terms energy: -282.953200
where:
bonds (distance) C4'-P energy: -54.795
bonds (distance) P-C4' energy: -51.377
flat angles C4'-P-C4' energy: -59.103
flat angles P-C4'-P energy: -46.413
tors. eta vs tors. theta energy: -71.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -776.626840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.626840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.626840 (E_RNA)
where:
Base-Base interactions energy: -518.124
where: short stacking energy: -239.664
Base-Backbone interact. energy: -0.603
local terms energy: -257.900224
where:
bonds (distance) C4'-P energy: -42.521
bonds (distance) P-C4' energy: -45.605
flat angles C4'-P-C4' energy: -57.364
flat angles P-C4'-P energy: -34.310
tors. eta vs tors. theta energy: -78.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -805.048367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.048367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.048367 (E_RNA)
where:
Base-Base interactions energy: -544.328
where: short stacking energy: -250.304
Base-Backbone interact. energy: -2.006
local terms energy: -258.713680
where:
bonds (distance) C4'-P energy: -39.683
bonds (distance) P-C4' energy: -58.905
flat angles C4'-P-C4' energy: -50.605
flat angles P-C4'-P energy: -36.067
tors. eta vs tors. theta energy: -73.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -564.509784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -564.509784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -564.509784 (E_RNA)
where:
Base-Base interactions energy: -380.299
where: short stacking energy: -164.769
Base-Backbone interact. energy: -1.575
local terms energy: -182.636095
where:
bonds (distance) C4'-P energy: -29.073
bonds (distance) P-C4' energy: -50.356
flat angles C4'-P-C4' energy: -44.388
flat angles P-C4'-P energy: -34.275
tors. eta vs tors. theta energy: -24.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -453.552318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.552318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.552318 (E_RNA)
where:
Base-Base interactions energy: -263.981
where: short stacking energy: -128.902
Base-Backbone interact. energy: -0.779
local terms energy: -188.792724
where:
bonds (distance) C4'-P energy: -51.922
bonds (distance) P-C4' energy: -31.207
flat angles C4'-P-C4' energy: -54.590
flat angles P-C4'-P energy: -29.513
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -371.943454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -371.943454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -371.943454 (E_RNA)
where:
Base-Base interactions energy: -205.366
where: short stacking energy: -122.042
Base-Backbone interact. energy: 0.673
local terms energy: -167.251364
where:
bonds (distance) C4'-P energy: -42.409
bonds (distance) P-C4' energy: -44.121
flat angles C4'-P-C4' energy: -43.978
flat angles P-C4'-P energy: -29.284
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1020.841640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.841640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.841640 (E_RNA)
where:
Base-Base interactions energy: -713.533
where: short stacking energy: -305.038
Base-Backbone interact. energy: -1.815
local terms energy: -305.493323
where:
bonds (distance) C4'-P energy: -39.184
bonds (distance) P-C4' energy: -57.394
flat angles C4'-P-C4' energy: -73.470
flat angles P-C4'-P energy: -44.298
tors. eta vs tors. theta energy: -91.148
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: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1010.850430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.850430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.850430 (E_RNA)
where:
Base-Base interactions energy: -695.382
where: short stacking energy: -296.416
Base-Backbone interact. energy: -0.490
local terms energy: -314.978485
where:
bonds (distance) C4'-P energy: -57.439
bonds (distance) P-C4' energy: -52.186
flat angles C4'-P-C4' energy: -68.020
flat angles P-C4'-P energy: -45.918
tors. eta vs tors. theta energy: -91.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -919.574909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.574909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.574909 (E_RNA)
where:
Base-Base interactions energy: -630.576
where: short stacking energy: -280.555
Base-Backbone interact. energy: 0.492
local terms energy: -289.490817
where:
bonds (distance) C4'-P energy: -55.085
bonds (distance) P-C4' energy: -51.098
flat angles C4'-P-C4' energy: -65.484
flat angles P-C4'-P energy: -40.154
tors. eta vs tors. theta energy: -77.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -913.317203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.317203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.317203 (E_RNA)
where:
Base-Base interactions energy: -618.597
where: short stacking energy: -272.086
Base-Backbone interact. energy: 0.220
local terms energy: -294.940192
where:
bonds (distance) C4'-P energy: -46.434
bonds (distance) P-C4' energy: -58.960
flat angles C4'-P-C4' energy: -64.350
flat angles P-C4'-P energy: -38.737
tors. eta vs tors. theta energy: -86.460
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: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -851.160150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.160150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.160150 (E_RNA)
where:
Base-Base interactions energy: -577.094
where: short stacking energy: -258.889
Base-Backbone interact. energy: 0.734
local terms energy: -274.799930
where:
bonds (distance) C4'-P energy: -53.560
bonds (distance) P-C4' energy: -49.756
flat angles C4'-P-C4' energy: -54.484
flat angles P-C4'-P energy: -34.315
tors. eta vs tors. theta energy: -82.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -803.282008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.282008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.282008 (E_RNA)
where:
Base-Base interactions energy: -543.469
where: short stacking energy: -238.741
Base-Backbone interact. energy: -0.601
local terms energy: -259.212027
where:
bonds (distance) C4'-P energy: -54.173
bonds (distance) P-C4' energy: -49.069
flat angles C4'-P-C4' energy: -55.875
flat angles P-C4'-P energy: -26.376
tors. eta vs tors. theta energy: -73.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -770.465574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.465574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.465574 (E_RNA)
where:
Base-Base interactions energy: -527.201
where: short stacking energy: -231.003
Base-Backbone interact. energy: -1.459
local terms energy: -241.805096
where:
bonds (distance) C4'-P energy: -45.102
bonds (distance) P-C4' energy: -41.853
flat angles C4'-P-C4' energy: -57.765
flat angles P-C4'-P energy: -37.550
tors. eta vs tors. theta energy: -59.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -642.470800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.470800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.470800 (E_RNA)
where:
Base-Base interactions energy: -413.129
where: short stacking energy: -173.902
Base-Backbone interact. energy: -2.939
local terms energy: -226.403638
where:
bonds (distance) C4'-P energy: -40.668
bonds (distance) P-C4' energy: -51.393
flat angles C4'-P-C4' energy: -49.613
flat angles P-C4'-P energy: -35.181
tors. eta vs tors. theta energy: -49.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -451.484171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.484171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.484171 (E_RNA)
where:
Base-Base interactions energy: -258.701
where: short stacking energy: -144.306
Base-Backbone interact. energy: -0.309
local terms energy: -192.473925
where:
bonds (distance) C4'-P energy: -47.438
bonds (distance) P-C4' energy: -40.539
flat angles C4'-P-C4' energy: -47.996
flat angles P-C4'-P energy: -26.913
tors. eta vs tors. theta energy: -29.588
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: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -378.906028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -378.906028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -378.906028 (E_RNA)
where:
Base-Base interactions energy: -215.502
where: short stacking energy: -113.871
Base-Backbone interact. energy: -1.289
local terms energy: -162.114908
where:
bonds (distance) C4'-P energy: -35.056
bonds (distance) P-C4' energy: -54.997
flat angles C4'-P-C4' energy: -46.147
flat angles P-C4'-P energy: -24.956
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1014.350615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.350615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.350615 (E_RNA)
where:
Base-Base interactions energy: -692.701
where: short stacking energy: -298.535
Base-Backbone interact. energy: -1.668
local terms energy: -319.981500
where:
bonds (distance) C4'-P energy: -58.017
bonds (distance) P-C4' energy: -55.281
flat angles C4'-P-C4' energy: -66.665
flat angles P-C4'-P energy: -45.710
tors. eta vs tors. theta energy: -94.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1012.630395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.630395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.630395 (E_RNA)
where:
Base-Base interactions energy: -704.779
where: short stacking energy: -297.283
Base-Backbone interact. energy: 1.404
local terms energy: -309.255038
where:
bonds (distance) C4'-P energy: -51.535
bonds (distance) P-C4' energy: -51.941
flat angles C4'-P-C4' energy: -64.430
flat angles P-C4'-P energy: -43.840
tors. eta vs tors. theta energy: -97.508
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: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -937.100545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.100545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.100545 (E_RNA)
where:
Base-Base interactions energy: -630.726
where: short stacking energy: -280.257
Base-Backbone interact. energy: 0.842
local terms energy: -307.216706
where:
bonds (distance) C4'-P energy: -47.269
bonds (distance) P-C4' energy: -59.151
flat angles C4'-P-C4' energy: -67.232
flat angles P-C4'-P energy: -46.271
tors. eta vs tors. theta energy: -87.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -912.346772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.346772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.346772 (E_RNA)
where:
Base-Base interactions energy: -628.022
where: short stacking energy: -255.122
Base-Backbone interact. energy: -0.341
local terms energy: -283.983214
where:
bonds (distance) C4'-P energy: -45.163
bonds (distance) P-C4' energy: -57.991
flat angles C4'-P-C4' energy: -56.707
flat angles P-C4'-P energy: -43.070
tors. eta vs tors. theta energy: -81.051
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: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -831.156151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.156151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.156151 (E_RNA)
where:
Base-Base interactions energy: -567.369
where: short stacking energy: -252.588
Base-Backbone interact. energy: -0.866
local terms energy: -262.921845
where:
bonds (distance) C4'-P energy: -46.510
bonds (distance) P-C4' energy: -53.658
flat angles C4'-P-C4' energy: -51.620
flat angles P-C4'-P energy: -36.024
tors. eta vs tors. theta energy: -75.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -812.675551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.675551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.675551 (E_RNA)
where:
Base-Base interactions energy: -551.524
where: short stacking energy: -238.893
Base-Backbone interact. energy: -2.247
local terms energy: -258.904389
where:
bonds (distance) C4'-P energy: -40.588
bonds (distance) P-C4' energy: -51.718
flat angles C4'-P-C4' energy: -52.779
flat angles P-C4'-P energy: -41.650
tors. eta vs tors. theta energy: -72.169
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: 9
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -653.355677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.355677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.355677 (E_RNA)
where:
Base-Base interactions energy: -410.631
where: short stacking energy: -188.635
Base-Backbone interact. energy: -1.138
local terms energy: -241.586455
where:
bonds (distance) C4'-P energy: -48.503
bonds (distance) P-C4' energy: -57.134
flat angles C4'-P-C4' energy: -52.687
flat angles P-C4'-P energy: -28.178
tors. eta vs tors. theta energy: -55.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -740.395612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.395612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.395612 (E_RNA)
where:
Base-Base interactions energy: -491.793
where: short stacking energy: -233.015
Base-Backbone interact. energy: 0.681
local terms energy: -249.284075
where:
bonds (distance) C4'-P energy: -46.272
bonds (distance) P-C4' energy: -47.455
flat angles C4'-P-C4' energy: -51.754
flat angles P-C4'-P energy: -41.997
tors. eta vs tors. theta energy: -61.806
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: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -451.773988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.773988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.773988 (E_RNA)
where:
Base-Base interactions energy: -257.647
where: short stacking energy: -130.703
Base-Backbone interact. energy: -1.477
local terms energy: -192.649135
where:
bonds (distance) C4'-P energy: -45.090
bonds (distance) P-C4' energy: -56.897
flat angles C4'-P-C4' energy: -49.318
flat angles P-C4'-P energy: -18.926
tors. eta vs tors. theta energy: -22.417
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: 3
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -353.301952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.301952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.301952 (E_RNA)
where:
Base-Base interactions energy: -189.087
where: short stacking energy: -107.903
Base-Backbone interact. energy: -0.411
local terms energy: -163.804168
where:
bonds (distance) C4'-P energy: -39.335
bonds (distance) P-C4' energy: -57.137
flat angles C4'-P-C4' energy: -44.920
flat angles P-C4'-P energy: -19.563
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1026.318234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.318234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.318234 (E_RNA)
where:
Base-Base interactions energy: -709.504
where: short stacking energy: -311.962
Base-Backbone interact. energy: -1.422
local terms energy: -315.392439
where:
bonds (distance) C4'-P energy: -56.879
bonds (distance) P-C4' energy: -53.844
flat angles C4'-P-C4' energy: -62.145
flat angles P-C4'-P energy: -48.964
tors. eta vs tors. theta energy: -93.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -1005.539200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.539200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.539200 (E_RNA)
where:
Base-Base interactions energy: -699.336
where: short stacking energy: -297.520
Base-Backbone interact. energy: -0.544
local terms energy: -305.658872
where:
bonds (distance) C4'-P energy: -53.530
bonds (distance) P-C4' energy: -50.801
flat angles C4'-P-C4' energy: -65.363
flat angles P-C4'-P energy: -45.054
tors. eta vs tors. theta energy: -90.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -920.683697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.683697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.683697 (E_RNA)
where:
Base-Base interactions energy: -632.143
where: short stacking energy: -262.254
Base-Backbone interact. energy: 0.909
local terms energy: -289.449588
where:
bonds (distance) C4'-P energy: -57.825
bonds (distance) P-C4' energy: -50.416
flat angles C4'-P-C4' energy: -60.801
flat angles P-C4'-P energy: -36.715
tors. eta vs tors. theta energy: -83.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -933.012739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.012739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.012739 (E_RNA)
where:
Base-Base interactions energy: -643.210
where: short stacking energy: -272.729
Base-Backbone interact. energy: -1.185
local terms energy: -288.617213
where:
bonds (distance) C4'-P energy: -51.160
bonds (distance) P-C4' energy: -53.724
flat angles C4'-P-C4' energy: -61.637
flat angles P-C4'-P energy: -36.817
tors. eta vs tors. theta energy: -85.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -799.798152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.798152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.798152 (E_RNA)
where:
Base-Base interactions energy: -525.898
where: short stacking energy: -241.190
Base-Backbone interact. energy: -0.256
local terms energy: -273.644826
where:
bonds (distance) C4'-P energy: -45.752
bonds (distance) P-C4' energy: -53.343
flat angles C4'-P-C4' energy: -61.932
flat angles P-C4'-P energy: -43.541
tors. eta vs tors. theta energy: -69.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -792.527816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.527816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.527816 (E_RNA)
where:
Base-Base interactions energy: -533.884
where: short stacking energy: -225.993
Base-Backbone interact. energy: -0.555
local terms energy: -258.089357
where:
bonds (distance) C4'-P energy: -42.664
bonds (distance) P-C4' energy: -59.582
flat angles C4'-P-C4' energy: -50.329
flat angles P-C4'-P energy: -40.347
tors. eta vs tors. theta energy: -65.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -684.085346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -684.085346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -684.085346 (E_RNA)
where:
Base-Base interactions energy: -446.620
where: short stacking energy: -193.143
Base-Backbone interact. energy: -0.146
local terms energy: -237.319508
where:
bonds (distance) C4'-P energy: -56.448
bonds (distance) P-C4' energy: -49.020
flat angles C4'-P-C4' energy: -47.382
flat angles P-C4'-P energy: -35.755
tors. eta vs tors. theta energy: -48.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -658.146446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -658.146446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -658.146446 (E_RNA)
where:
Base-Base interactions energy: -447.723
where: short stacking energy: -192.550
Base-Backbone interact. energy: 3.197
local terms energy: -213.621116
where:
bonds (distance) C4'-P energy: -43.726
bonds (distance) P-C4' energy: -47.230
flat angles C4'-P-C4' energy: -46.559
flat angles P-C4'-P energy: -28.008
tors. eta vs tors. theta energy: -48.099
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: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -466.261462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -466.261462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -466.261462 (E_RNA)
where:
Base-Base interactions energy: -286.292
where: short stacking energy: -144.953
Base-Backbone interact. energy: -1.152
local terms energy: -178.817582
where:
bonds (distance) C4'-P energy: -47.312
bonds (distance) P-C4' energy: -39.200
flat angles C4'-P-C4' energy: -31.174
flat angles P-C4'-P energy: -33.705
tors. eta vs tors. theta energy: -27.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -346.505822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.505822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.505822 (E_RNA)
where:
Base-Base interactions energy: -172.231
where: short stacking energy: -86.189
Base-Backbone interact. energy: -0.952
local terms energy: -173.322691
where:
bonds (distance) C4'-P energy: -49.759
bonds (distance) P-C4' energy: -57.130
flat angles C4'-P-C4' energy: -47.251
flat angles P-C4'-P energy: -18.092
tors. eta vs tors. theta energy: -1.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1025.008084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.008084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.008084 (E_RNA)
where:
Base-Base interactions energy: -717.595
where: short stacking energy: -307.226
Base-Backbone interact. energy: 0.618
local terms energy: -308.031184
where:
bonds (distance) C4'-P energy: -51.549
bonds (distance) P-C4' energy: -55.612
flat angles C4'-P-C4' energy: -63.837
flat angles P-C4'-P energy: -41.792
tors. eta vs tors. theta energy: -95.241
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: 2, replica: 4
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1012.966944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.966944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.966944 (E_RNA)
where:
Base-Base interactions energy: -689.244
where: short stacking energy: -313.916
Base-Backbone interact. energy: -0.690
local terms energy: -323.032360
where:
bonds (distance) C4'-P energy: -60.372
bonds (distance) P-C4' energy: -55.393
flat angles C4'-P-C4' energy: -67.047
flat angles P-C4'-P energy: -44.876
tors. eta vs tors. theta energy: -95.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -970.249458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.249458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.249458 (E_RNA)
where:
Base-Base interactions energy: -661.419
where: short stacking energy: -286.105
Base-Backbone interact. energy: -0.068
local terms energy: -308.762057
where:
bonds (distance) C4'-P energy: -52.598
bonds (distance) P-C4' energy: -57.966
flat angles C4'-P-C4' energy: -64.598
flat angles P-C4'-P energy: -44.487
tors. eta vs tors. theta energy: -89.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -908.669743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.669743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.669743 (E_RNA)
where:
Base-Base interactions energy: -619.823
where: short stacking energy: -262.524
Base-Backbone interact. energy: -0.884
local terms energy: -287.962983
where:
bonds (distance) C4'-P energy: -49.774
bonds (distance) P-C4' energy: -51.937
flat angles C4'-P-C4' energy: -63.328
flat angles P-C4'-P energy: -41.418
tors. eta vs tors. theta energy: -81.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -819.499288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.499288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.499288 (E_RNA)
where:
Base-Base interactions energy: -533.004
where: short stacking energy: -238.690
Base-Backbone interact. energy: 1.669
local terms energy: -288.164549
where:
bonds (distance) C4'-P energy: -58.201
bonds (distance) P-C4' energy: -53.359
flat angles C4'-P-C4' energy: -63.420
flat angles P-C4'-P energy: -42.076
tors. eta vs tors. theta energy: -71.108
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: 374
Temperature: 1.150000
Total energy: -771.768837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.768837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.768837 (E_RNA)
where:
Base-Base interactions energy: -518.358
where: short stacking energy: -240.174
Base-Backbone interact. energy: -0.422
local terms energy: -252.989097
where:
bonds (distance) C4'-P energy: -34.507
bonds (distance) P-C4' energy: -55.023
flat angles C4'-P-C4' energy: -51.537
flat angles P-C4'-P energy: -41.970
tors. eta vs tors. theta energy: -69.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -698.878734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -698.878734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -698.878734 (E_RNA)
where:
Base-Base interactions energy: -457.091
where: short stacking energy: -206.428
Base-Backbone interact. energy: -1.379
local terms energy: -240.408706
where:
bonds (distance) C4'-P energy: -53.748
bonds (distance) P-C4' energy: -55.429
flat angles C4'-P-C4' energy: -44.984
flat angles P-C4'-P energy: -32.561
tors. eta vs tors. theta energy: -53.687
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: 9
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -619.511484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.511484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.511484 (E_RNA)
where:
Base-Base interactions energy: -412.174
where: short stacking energy: -177.450
Base-Backbone interact. energy: -1.807
local terms energy: -205.530583
where:
bonds (distance) C4'-P energy: -49.723
bonds (distance) P-C4' energy: -37.030
flat angles C4'-P-C4' energy: -50.279
flat angles P-C4'-P energy: -26.887
tors. eta vs tors. theta energy: -41.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -460.580858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.580858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.580858 (E_RNA)
where:
Base-Base interactions energy: -275.958
where: short stacking energy: -141.154
Base-Backbone interact. energy: -1.759
local terms energy: -182.863461
where:
bonds (distance) C4'-P energy: -47.866
bonds (distance) P-C4' energy: -43.936
flat angles C4'-P-C4' energy: -35.399
flat angles P-C4'-P energy: -29.318
tors. eta vs tors. theta energy: -26.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -359.317620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.317620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.317620 (E_RNA)
where:
Base-Base interactions energy: -211.635
where: short stacking energy: -106.126
Base-Backbone interact. energy: 0.473
local terms energy: -148.155270
where:
bonds (distance) C4'-P energy: -46.646
bonds (distance) P-C4' energy: -50.289
flat angles C4'-P-C4' energy: -33.230
flat angles P-C4'-P energy: -19.507
tors. eta vs tors. theta energy: 1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1044.413903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.413903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.413903 (E_RNA)
where:
Base-Base interactions energy: -725.754
where: short stacking energy: -297.466
Base-Backbone interact. energy: 1.698
local terms energy: -320.357777
where:
bonds (distance) C4'-P energy: -51.460
bonds (distance) P-C4' energy: -60.049
flat angles C4'-P-C4' energy: -67.986
flat angles P-C4'-P energy: -48.060
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: 2, replica: 4
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -999.014425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.014425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.014425 (E_RNA)
where:
Base-Base interactions energy: -692.095
where: short stacking energy: -282.320
Base-Backbone interact. energy: 0.809
local terms energy: -307.728475
where:
bonds (distance) C4'-P energy: -54.981
bonds (distance) P-C4' energy: -57.750
flat angles C4'-P-C4' energy: -64.222
flat angles P-C4'-P energy: -41.909
tors. eta vs tors. theta energy: -88.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -958.932614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.932614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.932614 (E_RNA)
where:
Base-Base interactions energy: -664.489
where: short stacking energy: -279.807
Base-Backbone interact. energy: 0.076
local terms energy: -294.519873
where:
bonds (distance) C4'-P energy: -61.857
bonds (distance) P-C4' energy: -54.105
flat angles C4'-P-C4' energy: -55.112
flat angles P-C4'-P energy: -36.643
tors. eta vs tors. theta energy: -86.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -905.612144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.612144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.612144 (E_RNA)
where:
Base-Base interactions energy: -620.166
where: short stacking energy: -282.010
Base-Backbone interact. energy: -0.261
local terms energy: -285.185112
where:
bonds (distance) C4'-P energy: -52.829
bonds (distance) P-C4' energy: -50.472
flat angles C4'-P-C4' energy: -55.868
flat angles P-C4'-P energy: -48.605
tors. eta vs tors. theta energy: -77.412
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: 5, replica: 5
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -804.296647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.296647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.296647 (E_RNA)
where:
Base-Base interactions energy: -536.773
where: short stacking energy: -235.550
Base-Backbone interact. energy: -1.535
local terms energy: -265.988700
where:
bonds (distance) C4'-P energy: -47.924
bonds (distance) P-C4' energy: -60.434
flat angles C4'-P-C4' energy: -60.031
flat angles P-C4'-P energy: -28.448
tors. eta vs tors. theta energy: -69.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -769.643388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.643388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.643388 (E_RNA)
where:
Base-Base interactions energy: -516.963
where: short stacking energy: -225.638
Base-Backbone interact. energy: -0.354
local terms energy: -252.326794
where:
bonds (distance) C4'-P energy: -52.602
bonds (distance) P-C4' energy: -40.927
flat angles C4'-P-C4' energy: -58.535
flat angles P-C4'-P energy: -38.122
tors. eta vs tors. theta energy: -62.141
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: 375
Temperature: 1.200000
Total energy: -660.338560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.338560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.338560 (E_RNA)
where:
Base-Base interactions energy: -422.071
where: short stacking energy: -189.105
Base-Backbone interact. energy: -0.377
local terms energy: -237.889895
where:
bonds (distance) C4'-P energy: -48.711
bonds (distance) P-C4' energy: -60.531
flat angles C4'-P-C4' energy: -53.386
flat angles P-C4'-P energy: -31.143
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: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -577.363067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -577.363067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -577.363067 (E_RNA)
where:
Base-Base interactions energy: -356.367
where: short stacking energy: -160.190
Base-Backbone interact. energy: -0.838
local terms energy: -220.157776
where:
bonds (distance) C4'-P energy: -48.567
bonds (distance) P-C4' energy: -50.267
flat angles C4'-P-C4' energy: -50.098
flat angles P-C4'-P energy: -40.911
tors. eta vs tors. theta energy: -30.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -453.920385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -453.920385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -453.920385 (E_RNA)
where:
Base-Base interactions energy: -257.405
where: short stacking energy: -120.482
Base-Backbone interact. energy: -0.728
local terms energy: -195.787718
where:
bonds (distance) C4'-P energy: -51.971
bonds (distance) P-C4' energy: -47.898
flat angles C4'-P-C4' energy: -54.302
flat angles P-C4'-P energy: -26.855
tors. eta vs tors. theta energy: -14.762
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: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -340.972266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.972266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.972266 (E_RNA)
where:
Base-Base interactions energy: -184.221
where: short stacking energy: -97.963
Base-Backbone interact. energy: -1.086
local terms energy: -155.665346
where:
bonds (distance) C4'-P energy: -47.611
bonds (distance) P-C4' energy: -50.158
flat angles C4'-P-C4' energy: -37.886
flat angles P-C4'-P energy: -22.949
tors. eta vs tors. theta energy: 2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1021.179687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.179687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.179687 (E_RNA)
where:
Base-Base interactions energy: -701.644
where: short stacking energy: -301.393
Base-Backbone interact. energy: -1.278
local terms energy: -318.257457
where:
bonds (distance) C4'-P energy: -60.284
bonds (distance) P-C4' energy: -53.642
flat angles C4'-P-C4' energy: -64.661
flat angles P-C4'-P energy: -45.512
tors. eta vs tors. theta energy: -94.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1004.793350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.793350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.793350 (E_RNA)
where:
Base-Base interactions energy: -688.716
where: short stacking energy: -303.769
Base-Backbone interact. energy: 1.984
local terms energy: -318.061468
where:
bonds (distance) C4'-P energy: -54.811
bonds (distance) P-C4' energy: -59.908
flat angles C4'-P-C4' energy: -62.136
flat angles P-C4'-P energy: -47.908
tors. eta vs tors. theta energy: -93.298
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: 3, replica: 1
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -953.572748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.572748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.572748 (E_RNA)
where:
Base-Base interactions energy: -661.570
where: short stacking energy: -285.276
Base-Backbone interact. energy: -0.213
local terms energy: -291.789668
where:
bonds (distance) C4'-P energy: -53.437
bonds (distance) P-C4' energy: -48.603
flat angles C4'-P-C4' energy: -57.268
flat angles P-C4'-P energy: -44.873
tors. eta vs tors. theta energy: -87.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -907.316509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.316509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.316509 (E_RNA)
where:
Base-Base interactions energy: -621.121
where: short stacking energy: -283.548
Base-Backbone interact. energy: -0.375
local terms energy: -285.820512
where:
bonds (distance) C4'-P energy: -50.956
bonds (distance) P-C4' energy: -52.728
flat angles C4'-P-C4' energy: -61.386
flat angles P-C4'-P energy: -41.740
tors. eta vs tors. theta energy: -79.012
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: 5
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -840.516438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.516438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.516438 (E_RNA)
where:
Base-Base interactions energy: -564.549
where: short stacking energy: -251.966
Base-Backbone interact. energy: -0.013
local terms energy: -275.954413
where:
bonds (distance) C4'-P energy: -56.500
bonds (distance) P-C4' energy: -48.653
flat angles C4'-P-C4' energy: -52.847
flat angles P-C4'-P energy: -46.275
tors. eta vs tors. theta energy: -71.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -774.292273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.292273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.292273 (E_RNA)
where:
Base-Base interactions energy: -504.539
where: short stacking energy: -231.786
Base-Backbone interact. energy: -0.744
local terms energy: -269.009050
where:
bonds (distance) C4'-P energy: -51.275
bonds (distance) P-C4' energy: -47.566
flat angles C4'-P-C4' energy: -58.053
flat angles P-C4'-P energy: -36.223
tors. eta vs tors. theta energy: -75.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -669.197282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.197282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.197282 (E_RNA)
where:
Base-Base interactions energy: -432.953
where: short stacking energy: -190.654
Base-Backbone interact. energy: -0.979
local terms energy: -235.265551
where:
bonds (distance) C4'-P energy: -47.813
bonds (distance) P-C4' energy: -53.872
flat angles C4'-P-C4' energy: -50.620
flat angles P-C4'-P energy: -37.098
tors. eta vs tors. theta energy: -45.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -600.152024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.152024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.152024 (E_RNA)
where:
Base-Base interactions energy: -395.907
where: short stacking energy: -166.116
Base-Backbone interact. energy: -2.011
local terms energy: -202.233846
where:
bonds (distance) C4'-P energy: -57.716
bonds (distance) P-C4' energy: -51.184
flat angles C4'-P-C4' energy: -32.173
flat angles P-C4'-P energy: -30.483
tors. eta vs tors. theta energy: -30.678
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: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -529.617651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.617651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.617651 (E_RNA)
where:
Base-Base interactions energy: -314.356
where: short stacking energy: -163.331
Base-Backbone interact. energy: -0.937
local terms energy: -214.324569
where:
bonds (distance) C4'-P energy: -53.545
bonds (distance) P-C4' energy: -40.752
flat angles C4'-P-C4' energy: -48.744
flat angles P-C4'-P energy: -33.681
tors. eta vs tors. theta energy: -37.603
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: 3
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -334.785531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.785531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.785531 (E_RNA)
where:
Base-Base interactions energy: -183.748
where: short stacking energy: -93.276
Base-Backbone interact. energy: 8.157
local terms energy: -159.194784
where:
bonds (distance) C4'-P energy: -42.238
bonds (distance) P-C4' energy: -50.608
flat angles C4'-P-C4' energy: -42.281
flat angles P-C4'-P energy: -33.244
tors. eta vs tors. theta energy: 9.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1043.401744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.401744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.401744 (E_RNA)
where:
Base-Base interactions energy: -726.619
where: short stacking energy: -306.621
Base-Backbone interact. energy: -1.171
local terms energy: -315.612096
where:
bonds (distance) C4'-P energy: -51.340
bonds (distance) P-C4' energy: -62.524
flat angles C4'-P-C4' energy: -64.031
flat angles P-C4'-P energy: -43.104
tors. eta vs tors. theta energy: -94.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1002.812611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.812611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.812611 (E_RNA)
where:
Base-Base interactions energy: -699.493
where: short stacking energy: -298.992
Base-Backbone interact. energy: -1.259
local terms energy: -302.060805
where:
bonds (distance) C4'-P energy: -48.867
bonds (distance) P-C4' energy: -60.515
flat angles C4'-P-C4' energy: -61.868
flat angles P-C4'-P energy: -42.721
tors. eta vs tors. theta energy: -88.090
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: 1
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -972.807627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.807627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.807627 (E_RNA)
where:
Base-Base interactions energy: -679.144
where: short stacking energy: -287.607
Base-Backbone interact. energy: -0.717
local terms energy: -292.946832
where:
bonds (distance) C4'-P energy: -55.042
bonds (distance) P-C4' energy: -45.630
flat angles C4'-P-C4' energy: -64.436
flat angles P-C4'-P energy: -38.250
tors. eta vs tors. theta energy: -89.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -863.338855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.338855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.338855 (E_RNA)
where:
Base-Base interactions energy: -593.833
where: short stacking energy: -269.484
Base-Backbone interact. energy: 0.264
local terms energy: -269.769822
where:
bonds (distance) C4'-P energy: -52.308
bonds (distance) P-C4' energy: -54.330
flat angles C4'-P-C4' energy: -53.289
flat angles P-C4'-P energy: -34.885
tors. eta vs tors. theta energy: -74.958
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: 377
Temperature: 1.100000
Total energy: -840.903659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.903659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.903659 (E_RNA)
where:
Base-Base interactions energy: -569.364
where: short stacking energy: -239.817
Base-Backbone interact. energy: 3.059
local terms energy: -274.599049
where:
bonds (distance) C4'-P energy: -53.461
bonds (distance) P-C4' energy: -54.892
flat angles C4'-P-C4' energy: -57.519
flat angles P-C4'-P energy: -37.892
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: 6, replica: 2
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -747.652969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.652969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.652969 (E_RNA)
where:
Base-Base interactions energy: -471.484
where: short stacking energy: -216.236
Base-Backbone interact. energy: 0.483
local terms energy: -276.651972
where:
bonds (distance) C4'-P energy: -58.691
bonds (distance) P-C4' energy: -59.164
flat angles C4'-P-C4' energy: -55.319
flat angles P-C4'-P energy: -38.209
tors. eta vs tors. theta energy: -65.268
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: 10
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -713.151531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.151531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.151531 (E_RNA)
where:
Base-Base interactions energy: -490.986
where: short stacking energy: -218.617
Base-Backbone interact. energy: -0.979
local terms energy: -221.186504
where:
bonds (distance) C4'-P energy: -41.643
bonds (distance) P-C4' energy: -47.363
flat angles C4'-P-C4' energy: -51.582
flat angles P-C4'-P energy: -25.436
tors. eta vs tors. theta energy: -55.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -608.417875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -608.417875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -608.417875 (E_RNA)
where:
Base-Base interactions energy: -401.409
where: short stacking energy: -189.665
Base-Backbone interact. energy: -0.827
local terms energy: -206.181387
where:
bonds (distance) C4'-P energy: -35.409
bonds (distance) P-C4' energy: -48.644
flat angles C4'-P-C4' energy: -50.940
flat angles P-C4'-P energy: -32.908
tors. eta vs tors. theta energy: -38.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -497.165036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -497.165036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -497.165036 (E_RNA)
where:
Base-Base interactions energy: -290.531
where: short stacking energy: -144.443
Base-Backbone interact. energy: -1.289
local terms energy: -205.344765
where:
bonds (distance) C4'-P energy: -41.546
bonds (distance) P-C4' energy: -54.102
flat angles C4'-P-C4' energy: -52.076
flat angles P-C4'-P energy: -27.713
tors. eta vs tors. theta energy: -29.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -320.019032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -320.019032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -320.019032 (E_RNA)
where:
Base-Base interactions energy: -158.569
where: short stacking energy: -98.394
Base-Backbone interact. energy: 0.426
local terms energy: -161.876140
where:
bonds (distance) C4'-P energy: -37.147
bonds (distance) P-C4' energy: -51.568
flat angles C4'-P-C4' energy: -41.907
flat angles P-C4'-P energy: -31.568
tors. eta vs tors. theta energy: 0.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1045.267614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.267614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.267614 (E_RNA)
where:
Base-Base interactions energy: -728.104
where: short stacking energy: -304.750
Base-Backbone interact. energy: -2.244
local terms energy: -314.919815
where:
bonds (distance) C4'-P energy: -47.115
bonds (distance) P-C4' energy: -56.859
flat angles C4'-P-C4' energy: -63.527
flat angles P-C4'-P energy: -53.398
tors. eta vs tors. theta energy: -94.020
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: 4
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -995.730137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.730137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.730137 (E_RNA)
where:
Base-Base interactions energy: -684.157
where: short stacking energy: -293.429
Base-Backbone interact. energy: -0.237
local terms energy: -311.336904
where:
bonds (distance) C4'-P energy: -51.937
bonds (distance) P-C4' energy: -59.338
flat angles C4'-P-C4' energy: -64.840
flat angles P-C4'-P energy: -45.125
tors. eta vs tors. theta energy: -90.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -956.622993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.622993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.622993 (E_RNA)
where:
Base-Base interactions energy: -663.805
where: short stacking energy: -280.824
Base-Backbone interact. energy: -0.320
local terms energy: -292.498322
where:
bonds (distance) C4'-P energy: -54.389
bonds (distance) P-C4' energy: -49.462
flat angles C4'-P-C4' energy: -57.212
flat angles P-C4'-P energy: -44.642
tors. eta vs tors. theta energy: -86.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -883.921252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.921252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.921252 (E_RNA)
where:
Base-Base interactions energy: -605.330
where: short stacking energy: -267.514
Base-Backbone interact. energy: 0.811
local terms energy: -279.402540
where:
bonds (distance) C4'-P energy: -44.906
bonds (distance) P-C4' energy: -55.945
flat angles C4'-P-C4' energy: -55.790
flat angles P-C4'-P energy: -38.221
tors. eta vs tors. theta energy: -84.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -830.996556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.996556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.996556 (E_RNA)
where:
Base-Base interactions energy: -575.156
where: short stacking energy: -247.947
Base-Backbone interact. energy: -0.318
local terms energy: -255.522235
where:
bonds (distance) C4'-P energy: -32.906
bonds (distance) P-C4' energy: -52.191
flat angles C4'-P-C4' energy: -55.728
flat angles P-C4'-P energy: -45.212
tors. eta vs tors. theta energy: -69.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -773.322792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.322792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.322792 (E_RNA)
where:
Base-Base interactions energy: -514.725
where: short stacking energy: -239.937
Base-Backbone interact. energy: -0.527
local terms energy: -258.071086
where:
bonds (distance) C4'-P energy: -53.934
bonds (distance) P-C4' energy: -33.120
flat angles C4'-P-C4' energy: -60.524
flat angles P-C4'-P energy: -39.538
tors. eta vs tors. theta energy: -70.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -642.388364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.388364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.388364 (E_RNA)
where:
Base-Base interactions energy: -426.229
where: short stacking energy: -199.274
Base-Backbone interact. energy: -0.427
local terms energy: -215.732497
where:
bonds (distance) C4'-P energy: -45.369
bonds (distance) P-C4' energy: -41.530
flat angles C4'-P-C4' energy: -47.939
flat angles P-C4'-P energy: -35.298
tors. eta vs tors. theta energy: -45.596
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: 378
Temperature: 1.250000
Total energy: -712.229377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.229377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.229377 (E_RNA)
where:
Base-Base interactions energy: -496.374
where: short stacking energy: -204.596
Base-Backbone interact. energy: 1.685
local terms energy: -217.540677
where:
bonds (distance) C4'-P energy: -33.756
bonds (distance) P-C4' energy: -44.058
flat angles C4'-P-C4' energy: -57.789
flat angles P-C4'-P energy: -31.596
tors. eta vs tors. theta energy: -50.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -485.384206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -485.384206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -485.384206 (E_RNA)
where:
Base-Base interactions energy: -294.892
where: short stacking energy: -136.165
Base-Backbone interact. energy: -0.397
local terms energy: -190.095341
where:
bonds (distance) C4'-P energy: -36.449
bonds (distance) P-C4' energy: -50.689
flat angles C4'-P-C4' energy: -44.784
flat angles P-C4'-P energy: -31.794
tors. eta vs tors. theta energy: -26.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -368.471782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.471782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.471782 (E_RNA)
where:
Base-Base interactions energy: -191.382
where: short stacking energy: -106.685
Base-Backbone interact. energy: 2.458
local terms energy: -179.548291
where:
bonds (distance) C4'-P energy: -49.050
bonds (distance) P-C4' energy: -58.494
flat angles C4'-P-C4' energy: -44.879
flat angles P-C4'-P energy: -24.015
tors. eta vs tors. theta energy: -3.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1041.363091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.363091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.363091 (E_RNA)
where:
Base-Base interactions energy: -724.091
where: short stacking energy: -302.062
Base-Backbone interact. energy: -1.107
local terms energy: -316.165095
where:
bonds (distance) C4'-P energy: -58.145
bonds (distance) P-C4' energy: -53.509
flat angles C4'-P-C4' energy: -64.427
flat angles P-C4'-P energy: -48.064
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: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1003.434763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.434763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.434763 (E_RNA)
where:
Base-Base interactions energy: -698.839
where: short stacking energy: -300.346
Base-Backbone interact. energy: -0.238
local terms energy: -304.357864
where:
bonds (distance) C4'-P energy: -48.548
bonds (distance) P-C4' energy: -59.898
flat angles C4'-P-C4' energy: -63.012
flat angles P-C4'-P energy: -39.189
tors. eta vs tors. theta energy: -93.711
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: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -966.380394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -966.380394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -966.380394 (E_RNA)
where:
Base-Base interactions energy: -658.669
where: short stacking energy: -285.454
Base-Backbone interact. energy: -0.613
local terms energy: -307.098321
where:
bonds (distance) C4'-P energy: -56.105
bonds (distance) P-C4' energy: -58.412
flat angles C4'-P-C4' energy: -61.453
flat angles P-C4'-P energy: -42.742
tors. eta vs tors. theta energy: -88.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -901.450957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.450957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.450957 (E_RNA)
where:
Base-Base interactions energy: -617.194
where: short stacking energy: -271.969
Base-Backbone interact. energy: -0.872
local terms energy: -283.385467
where:
bonds (distance) C4'-P energy: -43.220
bonds (distance) P-C4' energy: -54.359
flat angles C4'-P-C4' energy: -56.932
flat angles P-C4'-P energy: -42.207
tors. eta vs tors. theta energy: -86.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -861.485636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.485636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.485636 (E_RNA)
where:
Base-Base interactions energy: -579.365
where: short stacking energy: -260.392
Base-Backbone interact. energy: -0.928
local terms energy: -281.192295
where:
bonds (distance) C4'-P energy: -57.552
bonds (distance) P-C4' energy: -40.639
flat angles C4'-P-C4' energy: -59.930
flat angles P-C4'-P energy: -45.132
tors. eta vs tors. theta energy: -77.939
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: 2
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -778.840984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.840984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.840984 (E_RNA)
where:
Base-Base interactions energy: -534.563
where: short stacking energy: -237.650
Base-Backbone interact. energy: -2.080
local terms energy: -242.198323
where:
bonds (distance) C4'-P energy: -50.774
bonds (distance) P-C4' energy: -42.903
flat angles C4'-P-C4' energy: -56.176
flat angles P-C4'-P energy: -26.042
tors. eta vs tors. theta energy: -66.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -645.912933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -645.912933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -645.912933 (E_RNA)
where:
Base-Base interactions energy: -424.608
where: short stacking energy: -186.549
Base-Backbone interact. energy: -1.106
local terms energy: -220.198355
where:
bonds (distance) C4'-P energy: -50.511
bonds (distance) P-C4' energy: -44.360
flat angles C4'-P-C4' energy: -57.080
flat angles P-C4'-P energy: -26.867
tors. eta vs tors. theta energy: -41.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -681.026750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.026750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.026750 (E_RNA)
where:
Base-Base interactions energy: -450.495
where: short stacking energy: -187.464
Base-Backbone interact. energy: -2.036
local terms energy: -228.494945
where:
bonds (distance) C4'-P energy: -38.174
bonds (distance) P-C4' energy: -54.783
flat angles C4'-P-C4' energy: -52.634
flat angles P-C4'-P energy: -42.658
tors. eta vs tors. theta energy: -40.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -480.748735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.748735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.748735 (E_RNA)
where:
Base-Base interactions energy: -275.569
where: short stacking energy: -156.291
Base-Backbone interact. energy: -0.646
local terms energy: -204.534282
where:
bonds (distance) C4'-P energy: -47.174
bonds (distance) P-C4' energy: -50.792
flat angles C4'-P-C4' energy: -46.485
flat angles P-C4'-P energy: -29.405
tors. eta vs tors. theta energy: -30.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -351.981712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.981712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.981712 (E_RNA)
where:
Base-Base interactions energy: -182.633
where: short stacking energy: -96.990
Base-Backbone interact. energy: -0.435
local terms energy: -168.913786
where:
bonds (distance) C4'-P energy: -50.612
bonds (distance) P-C4' energy: -45.924
flat angles C4'-P-C4' energy: -46.477
flat angles P-C4'-P energy: -18.642
tors. eta vs tors. theta energy: -7.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1065.340900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.340900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.340900 (E_RNA)
where:
Base-Base interactions energy: -733.772
where: short stacking energy: -308.156
Base-Backbone interact. energy: -0.971
local terms energy: -330.597791
where:
bonds (distance) C4'-P energy: -62.024
bonds (distance) P-C4' energy: -54.995
flat angles C4'-P-C4' energy: -67.888
flat angles P-C4'-P energy: -44.420
tors. eta vs tors. theta energy: -101.270
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: 4
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1005.743179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.743179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.743179 (E_RNA)
where:
Base-Base interactions energy: -692.244
where: short stacking energy: -291.754
Base-Backbone interact. energy: -0.488
local terms energy: -313.011338
where:
bonds (distance) C4'-P energy: -48.016
bonds (distance) P-C4' energy: -59.795
flat angles C4'-P-C4' energy: -60.758
flat angles P-C4'-P energy: -51.835
tors. eta vs tors. theta energy: -92.608
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: 1
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -965.974292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.974292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.974292 (E_RNA)
where:
Base-Base interactions energy: -659.274
where: short stacking energy: -279.612
Base-Backbone interact. energy: -0.547
local terms energy: -306.153582
where:
bonds (distance) C4'-P energy: -60.563
bonds (distance) P-C4' energy: -58.176
flat angles C4'-P-C4' energy: -61.907
flat angles P-C4'-P energy: -45.419
tors. eta vs tors. theta energy: -80.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -905.425036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.425036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.425036 (E_RNA)
where:
Base-Base interactions energy: -623.244
where: short stacking energy: -264.727
Base-Backbone interact. energy: 0.318
local terms energy: -282.499140
where:
bonds (distance) C4'-P energy: -51.761
bonds (distance) P-C4' energy: -53.764
flat angles C4'-P-C4' energy: -60.616
flat angles P-C4'-P energy: -35.493
tors. eta vs tors. theta energy: -80.865
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: 5
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -840.299855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -840.299855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -840.299855 (E_RNA)
where:
Base-Base interactions energy: -564.155
where: short stacking energy: -252.117
Base-Backbone interact. energy: -1.330
local terms energy: -274.814642
where:
bonds (distance) C4'-P energy: -52.939
bonds (distance) P-C4' energy: -46.342
flat angles C4'-P-C4' energy: -58.448
flat angles P-C4'-P energy: -43.478
tors. eta vs tors. theta energy: -73.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -768.180406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -768.180406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -768.180406 (E_RNA)
where:
Base-Base interactions energy: -535.387
where: short stacking energy: -229.704
Base-Backbone interact. energy: -1.768
local terms energy: -231.025460
where:
bonds (distance) C4'-P energy: -44.177
bonds (distance) P-C4' energy: -36.146
flat angles C4'-P-C4' energy: -58.228
flat angles P-C4'-P energy: -29.918
tors. eta vs tors. theta energy: -62.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -664.996374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.996374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.996374 (E_RNA)
where:
Base-Base interactions energy: -437.826
where: short stacking energy: -218.147
Base-Backbone interact. energy: 1.505
local terms energy: -228.675433
where:
bonds (distance) C4'-P energy: -43.990
bonds (distance) P-C4' energy: -45.118
flat angles C4'-P-C4' energy: -47.391
flat angles P-C4'-P energy: -32.807
tors. eta vs tors. theta energy: -59.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -677.469333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.469333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.469333 (E_RNA)
where:
Base-Base interactions energy: -435.057
where: short stacking energy: -189.067
Base-Backbone interact. energy: 0.215
local terms energy: -242.627060
where:
bonds (distance) C4'-P energy: -50.830
bonds (distance) P-C4' energy: -55.837
flat angles C4'-P-C4' energy: -52.626
flat angles P-C4'-P energy: -36.249
tors. eta vs tors. theta energy: -47.085
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: 3
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -390.435021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -390.435021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -390.435021 (E_RNA)
where:
Base-Base interactions energy: -205.228
where: short stacking energy: -127.265
Base-Backbone interact. energy: 2.152
local terms energy: -187.358100
where:
bonds (distance) C4'-P energy: -44.246
bonds (distance) P-C4' energy: -53.808
flat angles C4'-P-C4' energy: -46.212
flat angles P-C4'-P energy: -29.825
tors. eta vs tors. theta energy: -13.267
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: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -375.070736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -375.070736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -375.070736 (E_RNA)
where:
Base-Base interactions energy: -205.320
where: short stacking energy: -107.334
Base-Backbone interact. energy: -0.559
local terms energy: -169.192231
where:
bonds (distance) C4'-P energy: -50.441
bonds (distance) P-C4' energy: -51.999
flat angles C4'-P-C4' energy: -31.408
flat angles P-C4'-P energy: -24.330
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: 1, replica: 7
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1038.708991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.708991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.708991 (E_RNA)
where:
Base-Base interactions energy: -737.745
where: short stacking energy: -306.567
Base-Backbone interact. energy: -1.270
local terms energy: -299.694526
where:
bonds (distance) C4'-P energy: -52.286
bonds (distance) P-C4' energy: -55.564
flat angles C4'-P-C4' energy: -61.484
flat angles P-C4'-P energy: -38.543
tors. eta vs tors. theta energy: -91.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -986.834322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.834322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.834322 (E_RNA)
where:
Base-Base interactions energy: -693.698
where: short stacking energy: -299.878
Base-Backbone interact. energy: -2.164
local terms energy: -290.972534
where:
bonds (distance) C4'-P energy: -55.047
bonds (distance) P-C4' energy: -46.511
flat angles C4'-P-C4' energy: -61.600
flat angles P-C4'-P energy: -39.996
tors. eta vs tors. theta energy: -87.819
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: 1
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -952.251199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.251199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.251199 (E_RNA)
where:
Base-Base interactions energy: -667.513
where: short stacking energy: -274.054
Base-Backbone interact. energy: -1.068
local terms energy: -283.669742
where:
bonds (distance) C4'-P energy: -56.185
bonds (distance) P-C4' energy: -48.113
flat angles C4'-P-C4' energy: -60.367
flat angles P-C4'-P energy: -43.276
tors. eta vs tors. theta energy: -75.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -880.570747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.570747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.570747 (E_RNA)
where:
Base-Base interactions energy: -597.636
where: short stacking energy: -276.084
Base-Backbone interact. energy: -0.487
local terms energy: -282.447783
where:
bonds (distance) C4'-P energy: -48.858
bonds (distance) P-C4' energy: -45.987
flat angles C4'-P-C4' energy: -64.633
flat angles P-C4'-P energy: -45.802
tors. eta vs tors. theta energy: -77.168
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: 381
Temperature: 1.100000
Total energy: -796.157371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.157371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.157371 (E_RNA)
where:
Base-Base interactions energy: -537.374
where: short stacking energy: -239.943
Base-Backbone interact. energy: -1.541
local terms energy: -257.241824
where:
bonds (distance) C4'-P energy: -58.260
bonds (distance) P-C4' energy: -45.885
flat angles C4'-P-C4' energy: -46.125
flat angles P-C4'-P energy: -36.066
tors. eta vs tors. theta energy: -70.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -785.930820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.930820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.930820 (E_RNA)
where:
Base-Base interactions energy: -527.646
where: short stacking energy: -229.941
Base-Backbone interact. energy: -1.273
local terms energy: -257.012399
where:
bonds (distance) C4'-P energy: -32.001
bonds (distance) P-C4' energy: -60.877
flat angles C4'-P-C4' energy: -58.715
flat angles P-C4'-P energy: -42.958
tors. eta vs tors. theta energy: -62.460
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: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -624.774654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -624.774654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -624.774654 (E_RNA)
where:
Base-Base interactions energy: -420.239
where: short stacking energy: -186.103
Base-Backbone interact. energy: -0.840
local terms energy: -203.695760
where:
bonds (distance) C4'-P energy: -42.900
bonds (distance) P-C4' energy: -47.804
flat angles C4'-P-C4' energy: -49.139
flat angles P-C4'-P energy: -21.230
tors. eta vs tors. theta energy: -42.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -682.812010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.812010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.812010 (E_RNA)
where:
Base-Base interactions energy: -455.111
where: short stacking energy: -203.459
Base-Backbone interact. energy: -0.318
local terms energy: -227.383433
where:
bonds (distance) C4'-P energy: -40.551
bonds (distance) P-C4' energy: -51.776
flat angles C4'-P-C4' energy: -57.050
flat angles P-C4'-P energy: -32.798
tors. eta vs tors. theta energy: -45.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -369.176197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.176197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.176197 (E_RNA)
where:
Base-Base interactions energy: -178.733
where: short stacking energy: -96.024
Base-Backbone interact. energy: -0.627
local terms energy: -189.816549
where:
bonds (distance) C4'-P energy: -48.438
bonds (distance) P-C4' energy: -49.108
flat angles C4'-P-C4' energy: -37.505
flat angles P-C4'-P energy: -37.171
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: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -365.601353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.601353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.601353 (E_RNA)
where:
Base-Base interactions energy: -200.488
where: short stacking energy: -112.215
Base-Backbone interact. energy: -1.079
local terms energy: -164.034332
where:
bonds (distance) C4'-P energy: -42.139
bonds (distance) P-C4' energy: -43.327
flat angles C4'-P-C4' energy: -43.307
flat angles P-C4'-P energy: -19.271
tors. eta vs tors. theta energy: -15.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -1060.872429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.872429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.872429 (E_RNA)
where:
Base-Base interactions energy: -753.736
where: short stacking energy: -315.278
Base-Backbone interact. energy: -1.798
local terms energy: -305.338626
where:
bonds (distance) C4'-P energy: -51.667
bonds (distance) P-C4' energy: -58.021
flat angles C4'-P-C4' energy: -61.353
flat angles P-C4'-P energy: -42.230
tors. eta vs tors. theta energy: -92.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1005.849645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.849645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.849645 (E_RNA)
where:
Base-Base interactions energy: -696.486
where: short stacking energy: -299.395
Base-Backbone interact. energy: -0.493
local terms energy: -308.871027
where:
bonds (distance) C4'-P energy: -54.440
bonds (distance) P-C4' energy: -60.343
flat angles C4'-P-C4' energy: -72.198
flat angles P-C4'-P energy: -33.197
tors. eta vs tors. theta energy: -88.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -961.064468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.064468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.064468 (E_RNA)
where:
Base-Base interactions energy: -670.637
where: short stacking energy: -272.566
Base-Backbone interact. energy: 0.250
local terms energy: -290.676800
where:
bonds (distance) C4'-P energy: -57.679
bonds (distance) P-C4' energy: -50.012
flat angles C4'-P-C4' energy: -62.791
flat angles P-C4'-P energy: -32.959
tors. eta vs tors. theta energy: -87.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -890.623668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.623668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.623668 (E_RNA)
where:
Base-Base interactions energy: -596.861
where: short stacking energy: -266.596
Base-Backbone interact. energy: -1.287
local terms energy: -292.475084
where:
bonds (distance) C4'-P energy: -52.831
bonds (distance) P-C4' energy: -46.780
flat angles C4'-P-C4' energy: -60.368
flat angles P-C4'-P energy: -49.439
tors. eta vs tors. theta energy: -83.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -842.383470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.383470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.383470 (E_RNA)
where:
Base-Base interactions energy: -562.728
where: short stacking energy: -261.333
Base-Backbone interact. energy: -0.573
local terms energy: -279.081868
where:
bonds (distance) C4'-P energy: -55.074
bonds (distance) P-C4' energy: -55.546
flat angles C4'-P-C4' energy: -59.253
flat angles P-C4'-P energy: -36.185
tors. eta vs tors. theta energy: -73.024
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: 382
Temperature: 1.150000
Total energy: -766.732766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.732766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.732766 (E_RNA)
where:
Base-Base interactions energy: -508.041
where: short stacking energy: -234.260
Base-Backbone interact. energy: -2.021
local terms energy: -256.671101
where:
bonds (distance) C4'-P energy: -51.611
bonds (distance) P-C4' energy: -45.349
flat angles C4'-P-C4' energy: -54.819
flat angles P-C4'-P energy: -38.445
tors. eta vs tors. theta energy: -66.446
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: 10
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -686.171715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.171715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.171715 (E_RNA)
where:
Base-Base interactions energy: -472.226
where: short stacking energy: -196.660
Base-Backbone interact. energy: 1.827
local terms energy: -215.772483
where:
bonds (distance) C4'-P energy: -41.166
bonds (distance) P-C4' energy: -53.653
flat angles C4'-P-C4' energy: -48.368
flat angles P-C4'-P energy: -34.100
tors. eta vs tors. theta energy: -38.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -665.778297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -665.778297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -665.778297 (E_RNA)
where:
Base-Base interactions energy: -442.472
where: short stacking energy: -194.276
Base-Backbone interact. energy: -1.152
local terms energy: -222.154166
where:
bonds (distance) C4'-P energy: -46.977
bonds (distance) P-C4' energy: -49.000
flat angles C4'-P-C4' energy: -48.790
flat angles P-C4'-P energy: -35.891
tors. eta vs tors. theta energy: -41.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -393.908524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.908524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.908524 (E_RNA)
where:
Base-Base interactions energy: -216.793
where: short stacking energy: -113.061
Base-Backbone interact. energy: 0.143
local terms energy: -177.258128
where:
bonds (distance) C4'-P energy: -49.922
bonds (distance) P-C4' energy: -53.684
flat angles C4'-P-C4' energy: -42.939
flat angles P-C4'-P energy: -24.190
tors. eta vs tors. theta energy: -6.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -339.243066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.243066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.243066 (E_RNA)
where:
Base-Base interactions energy: -172.519
where: short stacking energy: -97.438
Base-Backbone interact. energy: -1.552
local terms energy: -165.171753
where:
bonds (distance) C4'-P energy: -43.439
bonds (distance) P-C4' energy: -51.205
flat angles C4'-P-C4' energy: -42.084
flat angles P-C4'-P energy: -30.270
tors. eta vs tors. theta energy: 1.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1054.301862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.301862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.301862 (E_RNA)
where:
Base-Base interactions energy: -737.399
where: short stacking energy: -305.163
Base-Backbone interact. energy: -4.296
local terms energy: -312.606519
where:
bonds (distance) C4'-P energy: -51.927
bonds (distance) P-C4' energy: -54.840
flat angles C4'-P-C4' energy: -71.047
flat angles P-C4'-P energy: -44.393
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: 2, replica: 4
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1008.848023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.848023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.848023 (E_RNA)
where:
Base-Base interactions energy: -701.851
where: short stacking energy: -305.910
Base-Backbone interact. energy: -1.636
local terms energy: -305.360814
where:
bonds (distance) C4'-P energy: -53.809
bonds (distance) P-C4' energy: -55.837
flat angles C4'-P-C4' energy: -61.943
flat angles P-C4'-P energy: -41.168
tors. eta vs tors. theta energy: -92.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -958.115018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.115018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.115018 (E_RNA)
where:
Base-Base interactions energy: -661.284
where: short stacking energy: -269.882
Base-Backbone interact. energy: -0.704
local terms energy: -296.126815
where:
bonds (distance) C4'-P energy: -54.197
bonds (distance) P-C4' energy: -61.946
flat angles C4'-P-C4' energy: -57.557
flat angles P-C4'-P energy: -40.859
tors. eta vs tors. theta energy: -81.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -879.534031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.534031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.534031 (E_RNA)
where:
Base-Base interactions energy: -602.679
where: short stacking energy: -259.533
Base-Backbone interact. energy: -0.824
local terms energy: -276.030756
where:
bonds (distance) C4'-P energy: -57.077
bonds (distance) P-C4' energy: -50.673
flat angles C4'-P-C4' energy: -52.779
flat angles P-C4'-P energy: -37.638
tors. eta vs tors. theta energy: -77.865
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: 2
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -804.136953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.136953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.136953 (E_RNA)
where:
Base-Base interactions energy: -540.953
where: short stacking energy: -240.471
Base-Backbone interact. energy: -2.364
local terms energy: -260.819802
where:
bonds (distance) C4'-P energy: -49.025
bonds (distance) P-C4' energy: -56.667
flat angles C4'-P-C4' energy: -54.126
flat angles P-C4'-P energy: -31.902
tors. eta vs tors. theta energy: -69.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -777.529788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.529788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.529788 (E_RNA)
where:
Base-Base interactions energy: -510.277
where: short stacking energy: -238.932
Base-Backbone interact. energy: -0.670
local terms energy: -266.581998
where:
bonds (distance) C4'-P energy: -47.772
bonds (distance) P-C4' energy: -57.465
flat angles C4'-P-C4' energy: -58.436
flat angles P-C4'-P energy: -28.922
tors. eta vs tors. theta energy: -73.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -686.911475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.911475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.911475 (E_RNA)
where:
Base-Base interactions energy: -459.227
where: short stacking energy: -183.857
Base-Backbone interact. energy: -1.904
local terms energy: -225.780945
where:
bonds (distance) C4'-P energy: -45.544
bonds (distance) P-C4' energy: -55.457
flat angles C4'-P-C4' energy: -52.733
flat angles P-C4'-P energy: -28.112
tors. eta vs tors. theta energy: -43.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -636.089906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.089906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.089906 (E_RNA)
where:
Base-Base interactions energy: -408.820
where: short stacking energy: -162.225
Base-Backbone interact. energy: 1.357
local terms energy: -228.627188
where:
bonds (distance) C4'-P energy: -52.946
bonds (distance) P-C4' energy: -48.903
flat angles C4'-P-C4' energy: -58.425
flat angles P-C4'-P energy: -20.599
tors. eta vs tors. theta energy: -47.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -373.957326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.957326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.957326 (E_RNA)
where:
Base-Base interactions energy: -218.522
where: short stacking energy: -108.660
Base-Backbone interact. energy: -1.015
local terms energy: -154.419342
where:
bonds (distance) C4'-P energy: -32.293
bonds (distance) P-C4' energy: -40.534
flat angles C4'-P-C4' energy: -44.030
flat angles P-C4'-P energy: -23.321
tors. eta vs tors. theta energy: -14.241
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: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -367.772140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.772140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.772140 (E_RNA)
where:
Base-Base interactions energy: -207.010
where: short stacking energy: -127.558
Base-Backbone interact. energy: -0.846
local terms energy: -159.917043
where:
bonds (distance) C4'-P energy: -40.368
bonds (distance) P-C4' energy: -47.586
flat angles C4'-P-C4' energy: -36.674
flat angles P-C4'-P energy: -24.143
tors. eta vs tors. theta energy: -11.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1012.791085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.791085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.791085 (E_RNA)
where:
Base-Base interactions energy: -706.900
where: short stacking energy: -296.677
Base-Backbone interact. energy: 1.950
local terms energy: -307.840769
where:
bonds (distance) C4'-P energy: -53.003
bonds (distance) P-C4' energy: -57.088
flat angles C4'-P-C4' energy: -62.610
flat angles P-C4'-P energy: -46.942
tors. eta vs tors. theta energy: -88.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1032.082903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.082903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.082903 (E_RNA)
where:
Base-Base interactions energy: -718.092
where: short stacking energy: -292.749
Base-Backbone interact. energy: -3.146
local terms energy: -310.845402
where:
bonds (distance) C4'-P energy: -54.316
bonds (distance) P-C4' energy: -52.579
flat angles C4'-P-C4' energy: -68.219
flat angles P-C4'-P energy: -46.383
tors. eta vs tors. theta energy: -89.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -973.115530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.115530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.115530 (E_RNA)
where:
Base-Base interactions energy: -668.917
where: short stacking energy: -285.345
Base-Backbone interact. energy: -0.146
local terms energy: -304.052342
where:
bonds (distance) C4'-P energy: -49.178
bonds (distance) P-C4' energy: -62.435
flat angles C4'-P-C4' energy: -58.266
flat angles P-C4'-P energy: -47.401
tors. eta vs tors. theta energy: -86.773
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: 384
Temperature: 1.050000
Total energy: -904.892447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.892447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.892447 (E_RNA)
where:
Base-Base interactions energy: -605.659
where: short stacking energy: -279.704
Base-Backbone interact. energy: -1.437
local terms energy: -297.796509
where:
bonds (distance) C4'-P energy: -44.892
bonds (distance) P-C4' energy: -56.077
flat angles C4'-P-C4' energy: -66.048
flat angles P-C4'-P energy: -42.160
tors. eta vs tors. theta energy: -88.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -814.602848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.602848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.602848 (E_RNA)
where:
Base-Base interactions energy: -550.720
where: short stacking energy: -238.638
Base-Backbone interact. energy: -0.272
local terms energy: -263.611380
where:
bonds (distance) C4'-P energy: -59.614
bonds (distance) P-C4' energy: -42.301
flat angles C4'-P-C4' energy: -56.786
flat angles P-C4'-P energy: -35.025
tors. eta vs tors. theta energy: -69.885
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: 2
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -795.447552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.447552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.447552 (E_RNA)
where:
Base-Base interactions energy: -531.167
where: short stacking energy: -244.668
Base-Backbone interact. energy: -0.838
local terms energy: -263.442657
where:
bonds (distance) C4'-P energy: -58.554
bonds (distance) P-C4' energy: -51.941
flat angles C4'-P-C4' energy: -55.660
flat angles P-C4'-P energy: -32.904
tors. eta vs tors. theta energy: -64.385
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: 10
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -685.563606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -685.563606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -685.563606 (E_RNA)
where:
Base-Base interactions energy: -468.973
where: short stacking energy: -200.659
Base-Backbone interact. energy: 0.640
local terms energy: -217.230150
where:
bonds (distance) C4'-P energy: -37.401
bonds (distance) P-C4' energy: -49.338
flat angles C4'-P-C4' energy: -42.312
flat angles P-C4'-P energy: -37.427
tors. eta vs tors. theta energy: -50.752
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: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -626.406413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.406413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.406413 (E_RNA)
where:
Base-Base interactions energy: -410.991
where: short stacking energy: -182.212
Base-Backbone interact. energy: -0.797
local terms energy: -214.617967
where:
bonds (distance) C4'-P energy: -43.002
bonds (distance) P-C4' energy: -45.958
flat angles C4'-P-C4' energy: -44.753
flat angles P-C4'-P energy: -33.699
tors. eta vs tors. theta energy: -47.206
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: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -419.153767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -419.153767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -419.153767 (E_RNA)
where:
Base-Base interactions energy: -216.427
where: short stacking energy: -109.846
Base-Backbone interact. energy: 1.520
local terms energy: -204.246598
where:
bonds (distance) C4'-P energy: -53.324
bonds (distance) P-C4' energy: -64.724
flat angles C4'-P-C4' energy: -50.667
flat angles P-C4'-P energy: -26.287
tors. eta vs tors. theta energy: -9.245
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: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -329.627355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -329.627355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -329.627355 (E_RNA)
where:
Base-Base interactions energy: -173.321
where: short stacking energy: -92.736
Base-Backbone interact. energy: -1.781
local terms energy: -154.525433
where:
bonds (distance) C4'-P energy: -49.487
bonds (distance) P-C4' energy: -39.704
flat angles C4'-P-C4' energy: -46.154
flat angles P-C4'-P energy: -23.287
tors. eta vs tors. theta energy: 4.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1016.009537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.009537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.009537 (E_RNA)
where:
Base-Base interactions energy: -699.553
where: short stacking energy: -300.212
Base-Backbone interact. energy: -2.060
local terms energy: -314.395942
where:
bonds (distance) C4'-P energy: -60.914
bonds (distance) P-C4' energy: -56.691
flat angles C4'-P-C4' energy: -65.990
flat angles P-C4'-P energy: -40.054
tors. eta vs tors. theta energy: -90.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1019.464561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.464561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.464561 (E_RNA)
where:
Base-Base interactions energy: -724.224
where: short stacking energy: -288.707
Base-Backbone interact. energy: -0.686
local terms energy: -294.554427
where:
bonds (distance) C4'-P energy: -55.220
bonds (distance) P-C4' energy: -57.265
flat angles C4'-P-C4' energy: -59.535
flat angles P-C4'-P energy: -39.098
tors. eta vs tors. theta energy: -83.437
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: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -981.116340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.116340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.116340 (E_RNA)
where:
Base-Base interactions energy: -700.281
where: short stacking energy: -285.760
Base-Backbone interact. energy: 1.563
local terms energy: -282.398529
where:
bonds (distance) C4'-P energy: -57.259
bonds (distance) P-C4' energy: -43.043
flat angles C4'-P-C4' energy: -51.860
flat angles P-C4'-P energy: -39.722
tors. eta vs tors. theta energy: -90.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -851.464093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -851.464093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -851.464093 (E_RNA)
where:
Base-Base interactions energy: -583.528
where: short stacking energy: -264.127
Base-Backbone interact. energy: -1.198
local terms energy: -266.737372
where:
bonds (distance) C4'-P energy: -52.070
bonds (distance) P-C4' energy: -43.470
flat angles C4'-P-C4' energy: -52.346
flat angles P-C4'-P energy: -41.926
tors. eta vs tors. theta energy: -76.925
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: 385
Temperature: 1.100000
Total energy: -888.351722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.351722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.351722 (E_RNA)
where:
Base-Base interactions energy: -586.769
where: short stacking energy: -279.787
Base-Backbone interact. energy: -1.139
local terms energy: -300.443234
where:
bonds (distance) C4'-P energy: -55.632
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -56.072
flat angles P-C4'-P energy: -40.259
tors. eta vs tors. theta energy: -92.612
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: 2
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -798.803821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.803821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.803821 (E_RNA)
where:
Base-Base interactions energy: -521.551
where: short stacking energy: -232.376
Base-Backbone interact. energy: -0.037
local terms energy: -277.215615
where:
bonds (distance) C4'-P energy: -49.353
bonds (distance) P-C4' energy: -59.390
flat angles C4'-P-C4' energy: -50.642
flat angles P-C4'-P energy: -42.571
tors. eta vs tors. theta energy: -75.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -719.191290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.191290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.191290 (E_RNA)
where:
Base-Base interactions energy: -486.899
where: short stacking energy: -200.445
Base-Backbone interact. energy: -0.284
local terms energy: -232.008347
where:
bonds (distance) C4'-P energy: -48.121
bonds (distance) P-C4' energy: -44.837
flat angles C4'-P-C4' energy: -55.895
flat angles P-C4'-P energy: -41.228
tors. eta vs tors. theta energy: -41.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -614.872385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.872385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.872385 (E_RNA)
where:
Base-Base interactions energy: -386.790
where: short stacking energy: -176.946
Base-Backbone interact. energy: 0.270
local terms energy: -228.352721
where:
bonds (distance) C4'-P energy: -52.872
bonds (distance) P-C4' energy: -48.996
flat angles C4'-P-C4' energy: -51.242
flat angles P-C4'-P energy: -31.431
tors. eta vs tors. theta energy: -43.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -381.809611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.809611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.809611 (E_RNA)
where:
Base-Base interactions energy: -215.489
where: short stacking energy: -101.759
Base-Backbone interact. energy: 3.830
local terms energy: -170.150281
where:
bonds (distance) C4'-P energy: -50.279
bonds (distance) P-C4' energy: -50.139
flat angles C4'-P-C4' energy: -42.278
flat angles P-C4'-P energy: -28.969
tors. eta vs tors. theta energy: 1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -360.877073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -360.877073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -360.877073 (E_RNA)
where:
Base-Base interactions energy: -185.643
where: short stacking energy: -100.900
Base-Backbone interact. energy: 0.392
local terms energy: -175.625605
where:
bonds (distance) C4'-P energy: -47.959
bonds (distance) P-C4' energy: -46.933
flat angles C4'-P-C4' energy: -51.399
flat angles P-C4'-P energy: -24.522
tors. eta vs tors. theta energy: -4.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1018.180526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.180526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.180526 (E_RNA)
where:
Base-Base interactions energy: -705.615
where: short stacking energy: -295.193
Base-Backbone interact. energy: -1.698
local terms energy: -310.868343
where:
bonds (distance) C4'-P energy: -48.256
bonds (distance) P-C4' energy: -57.537
flat angles C4'-P-C4' energy: -65.736
flat angles P-C4'-P energy: -40.880
tors. eta vs tors. theta energy: -98.460
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: 7
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1031.854286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.854286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.854286 (E_RNA)
where:
Base-Base interactions energy: -725.365
where: short stacking energy: -304.895
Base-Backbone interact. energy: -1.729
local terms energy: -304.760311
where:
bonds (distance) C4'-P energy: -51.475
bonds (distance) P-C4' energy: -58.179
flat angles C4'-P-C4' energy: -61.042
flat angles P-C4'-P energy: -43.690
tors. eta vs tors. theta energy: -90.375
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: 3, replica: 1
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -960.301591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.301591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.301591 (E_RNA)
where:
Base-Base interactions energy: -663.615
where: short stacking energy: -276.288
Base-Backbone interact. energy: -1.960
local terms energy: -294.726579
where:
bonds (distance) C4'-P energy: -54.429
bonds (distance) P-C4' energy: -47.878
flat angles C4'-P-C4' energy: -66.843
flat angles P-C4'-P energy: -40.479
tors. eta vs tors. theta energy: -85.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -839.442355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -839.442355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -839.442355 (E_RNA)
where:
Base-Base interactions energy: -573.927
where: short stacking energy: -252.895
Base-Backbone interact. energy: -1.352
local terms energy: -264.163987
where:
bonds (distance) C4'-P energy: -48.431
bonds (distance) P-C4' energy: -55.795
flat angles C4'-P-C4' energy: -58.410
flat angles P-C4'-P energy: -29.805
tors. eta vs tors. theta energy: -71.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -858.574870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.574870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.574870 (E_RNA)
where:
Base-Base interactions energy: -600.486
where: short stacking energy: -252.607
Base-Backbone interact. energy: -1.084
local terms energy: -257.005403
where:
bonds (distance) C4'-P energy: -43.268
bonds (distance) P-C4' energy: -48.839
flat angles C4'-P-C4' energy: -59.589
flat angles P-C4'-P energy: -26.555
tors. eta vs tors. theta energy: -78.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -813.108982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.108982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.108982 (E_RNA)
where:
Base-Base interactions energy: -534.058
where: short stacking energy: -245.663
Base-Backbone interact. energy: -2.666
local terms energy: -276.385605
where:
bonds (distance) C4'-P energy: -57.386
bonds (distance) P-C4' energy: -49.100
flat angles C4'-P-C4' energy: -60.055
flat angles P-C4'-P energy: -36.327
tors. eta vs tors. theta energy: -73.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -656.206555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -656.206555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -656.206555 (E_RNA)
where:
Base-Base interactions energy: -433.842
where: short stacking energy: -198.480
Base-Backbone interact. energy: -0.866
local terms energy: -221.498609
where:
bonds (distance) C4'-P energy: -42.791
bonds (distance) P-C4' energy: -44.168
flat angles C4'-P-C4' energy: -57.728
flat angles P-C4'-P energy: -33.002
tors. eta vs tors. theta energy: -43.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -708.234571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.234571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.234571 (E_RNA)
where:
Base-Base interactions energy: -458.670
where: short stacking energy: -202.531
Base-Backbone interact. energy: -2.479
local terms energy: -247.085754
where:
bonds (distance) C4'-P energy: -42.466
bonds (distance) P-C4' energy: -49.698
flat angles C4'-P-C4' energy: -56.874
flat angles P-C4'-P energy: -38.479
tors. eta vs tors. theta energy: -59.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -372.750282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.750282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.750282 (E_RNA)
where:
Base-Base interactions energy: -222.668
where: short stacking energy: -109.953
Base-Backbone interact. energy: 0.062
local terms energy: -150.144906
where:
bonds (distance) C4'-P energy: -34.880
bonds (distance) P-C4' energy: -43.467
flat angles C4'-P-C4' energy: -43.714
flat angles P-C4'-P energy: -22.690
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -364.759635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -364.759635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -364.759635 (E_RNA)
where:
Base-Base interactions energy: -202.097
where: short stacking energy: -99.052
Base-Backbone interact. energy: 2.262
local terms energy: -164.924480
where:
bonds (distance) C4'-P energy: -43.097
bonds (distance) P-C4' energy: -47.251
flat angles C4'-P-C4' energy: -45.567
flat angles P-C4'-P energy: -25.193
tors. eta vs tors. theta energy: -3.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1021.635464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.635464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.635464 (E_RNA)
where:
Base-Base interactions energy: -697.604
where: short stacking energy: -298.421
Base-Backbone interact. energy: -1.202
local terms energy: -322.829508
where:
bonds (distance) C4'-P energy: -57.831
bonds (distance) P-C4' energy: -59.214
flat angles C4'-P-C4' energy: -67.963
flat angles P-C4'-P energy: -42.147
tors. eta vs tors. theta energy: -95.675
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: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1032.232444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.232444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.232444 (E_RNA)
where:
Base-Base interactions energy: -733.742
where: short stacking energy: -298.347
Base-Backbone interact. energy: -0.882
local terms energy: -297.607903
where:
bonds (distance) C4'-P energy: -54.397
bonds (distance) P-C4' energy: -56.972
flat angles C4'-P-C4' energy: -64.273
flat angles P-C4'-P energy: -40.719
tors. eta vs tors. theta energy: -81.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -980.992114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.992114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.992114 (E_RNA)
where:
Base-Base interactions energy: -681.903
where: short stacking energy: -289.353
Base-Backbone interact. energy: 0.065
local terms energy: -299.154427
where:
bonds (distance) C4'-P energy: -47.026
bonds (distance) P-C4' energy: -55.321
flat angles C4'-P-C4' energy: -66.765
flat angles P-C4'-P energy: -42.778
tors. eta vs tors. theta energy: -87.265
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: 5
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -820.476095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.476095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.476095 (E_RNA)
where:
Base-Base interactions energy: -547.667
where: short stacking energy: -241.943
Base-Backbone interact. energy: -1.592
local terms energy: -271.216659
where:
bonds (distance) C4'-P energy: -61.693
bonds (distance) P-C4' energy: -49.613
flat angles C4'-P-C4' energy: -55.849
flat angles P-C4'-P energy: -41.951
tors. eta vs tors. theta energy: -62.111
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: 8
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -894.466489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.466489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.466489 (E_RNA)
where:
Base-Base interactions energy: -606.881
where: short stacking energy: -264.409
Base-Backbone interact. energy: -1.346
local terms energy: -286.239074
where:
bonds (distance) C4'-P energy: -51.334
bonds (distance) P-C4' energy: -59.044
flat angles C4'-P-C4' energy: -56.609
flat angles P-C4'-P energy: -40.329
tors. eta vs tors. theta energy: -78.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -789.625484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.625484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.625484 (E_RNA)
where:
Base-Base interactions energy: -537.823
where: short stacking energy: -241.300
Base-Backbone interact. energy: -0.676
local terms energy: -251.126868
where:
bonds (distance) C4'-P energy: -42.330
bonds (distance) P-C4' energy: -50.359
flat angles C4'-P-C4' energy: -51.041
flat angles P-C4'-P energy: -36.238
tors. eta vs tors. theta energy: -71.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -557.693863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.693863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.693863 (E_RNA)
where:
Base-Base interactions energy: -351.276
where: short stacking energy: -165.728
Base-Backbone interact. energy: 2.360
local terms energy: -208.777839
where:
bonds (distance) C4'-P energy: -45.712
bonds (distance) P-C4' energy: -60.307
flat angles C4'-P-C4' energy: -43.671
flat angles P-C4'-P energy: -20.934
tors. eta vs tors. theta energy: -38.154
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: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -707.556402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.556402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.556402 (E_RNA)
where:
Base-Base interactions energy: -483.735
where: short stacking energy: -207.799
Base-Backbone interact. energy: -1.313
local terms energy: -222.508120
where:
bonds (distance) C4'-P energy: -48.231
bonds (distance) P-C4' energy: -41.407
flat angles C4'-P-C4' energy: -51.492
flat angles P-C4'-P energy: -32.811
tors. eta vs tors. theta energy: -48.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -417.815895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -417.815895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -417.815895 (E_RNA)
where:
Base-Base interactions energy: -238.965
where: short stacking energy: -107.643
Base-Backbone interact. energy: 1.580
local terms energy: -180.430833
where:
bonds (distance) C4'-P energy: -35.851
bonds (distance) P-C4' energy: -53.670
flat angles C4'-P-C4' energy: -46.621
flat angles P-C4'-P energy: -33.849
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -339.775897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.775897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.775897 (E_RNA)
where:
Base-Base interactions energy: -183.889
where: short stacking energy: -89.748
Base-Backbone interact. energy: 0.543
local terms energy: -156.429920
where:
bonds (distance) C4'-P energy: -48.648
bonds (distance) P-C4' energy: -44.692
flat angles C4'-P-C4' energy: -43.535
flat angles P-C4'-P energy: -16.507
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -1063.570686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.570686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.570686 (E_RNA)
where:
Base-Base interactions energy: -741.974
where: short stacking energy: -315.325
Base-Backbone interact. energy: -0.333
local terms energy: -321.263644
where:
bonds (distance) C4'-P energy: -56.991
bonds (distance) P-C4' energy: -67.142
flat angles C4'-P-C4' energy: -63.833
flat angles P-C4'-P energy: -36.065
tors. eta vs tors. theta energy: -97.233
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: 4
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1025.573855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.573855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.573855 (E_RNA)
where:
Base-Base interactions energy: -710.104
where: short stacking energy: -307.333
Base-Backbone interact. energy: -0.784
local terms energy: -314.686626
where:
bonds (distance) C4'-P energy: -48.512
bonds (distance) P-C4' energy: -59.623
flat angles C4'-P-C4' energy: -66.304
flat angles P-C4'-P energy: -42.822
tors. eta vs tors. theta energy: -97.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -971.924741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.924741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.924741 (E_RNA)
where:
Base-Base interactions energy: -674.931
where: short stacking energy: -280.750
Base-Backbone interact. energy: -1.414
local terms energy: -295.579373
where:
bonds (distance) C4'-P energy: -55.587
bonds (distance) P-C4' energy: -60.149
flat angles C4'-P-C4' energy: -53.681
flat angles P-C4'-P energy: -42.564
tors. eta vs tors. theta energy: -83.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -820.275532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.275532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.275532 (E_RNA)
where:
Base-Base interactions energy: -550.254
where: short stacking energy: -243.678
Base-Backbone interact. energy: 0.552
local terms energy: -270.572982
where:
bonds (distance) C4'-P energy: -56.636
bonds (distance) P-C4' energy: -49.208
flat angles C4'-P-C4' energy: -54.625
flat angles P-C4'-P energy: -39.839
tors. eta vs tors. theta energy: -70.266
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: 8
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -871.865693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -871.865693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -871.865693 (E_RNA)
where:
Base-Base interactions energy: -587.853
where: short stacking energy: -254.816
Base-Backbone interact. energy: -0.738
local terms energy: -283.274403
where:
bonds (distance) C4'-P energy: -44.074
bonds (distance) P-C4' energy: -55.295
flat angles C4'-P-C4' energy: -63.830
flat angles P-C4'-P energy: -42.209
tors. eta vs tors. theta energy: -77.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -791.451058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.451058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.451058 (E_RNA)
where:
Base-Base interactions energy: -526.870
where: short stacking energy: -244.308
Base-Backbone interact. energy: -0.857
local terms energy: -263.724040
where:
bonds (distance) C4'-P energy: -48.466
bonds (distance) P-C4' energy: -48.792
flat angles C4'-P-C4' energy: -59.997
flat angles P-C4'-P energy: -32.448
tors. eta vs tors. theta energy: -74.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -646.000584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -646.000584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -646.000584 (E_RNA)
where:
Base-Base interactions energy: -433.296
where: short stacking energy: -179.457
Base-Backbone interact. energy: 0.826
local terms energy: -213.530186
where:
bonds (distance) C4'-P energy: -46.879
bonds (distance) P-C4' energy: -43.304
flat angles C4'-P-C4' energy: -50.158
flat angles P-C4'-P energy: -24.699
tors. eta vs tors. theta energy: -48.489
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: 9
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -526.843525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.843525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.843525 (E_RNA)
where:
Base-Base interactions energy: -325.648
where: short stacking energy: -135.758
Base-Backbone interact. energy: -1.773
local terms energy: -199.422392
where:
bonds (distance) C4'-P energy: -41.349
bonds (distance) P-C4' energy: -51.571
flat angles C4'-P-C4' energy: -43.185
flat angles P-C4'-P energy: -37.721
tors. eta vs tors. theta energy: -25.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -467.845124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.845124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.845124 (E_RNA)
where:
Base-Base interactions energy: -264.413
where: short stacking energy: -119.691
Base-Backbone interact. energy: -1.501
local terms energy: -201.931203
where:
bonds (distance) C4'-P energy: -52.278
bonds (distance) P-C4' energy: -58.000
flat angles C4'-P-C4' energy: -46.625
flat angles P-C4'-P energy: -31.548
tors. eta vs tors. theta energy: -13.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -341.008197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.008197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.008197 (E_RNA)
where:
Base-Base interactions energy: -163.281
where: short stacking energy: -83.491
Base-Backbone interact. energy: 0.397
local terms energy: -178.124255
where:
bonds (distance) C4'-P energy: -53.159
bonds (distance) P-C4' energy: -55.158
flat angles C4'-P-C4' energy: -42.372
flat angles P-C4'-P energy: -20.871
tors. eta vs tors. theta energy: -6.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1068.322992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.322992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.322992 (E_RNA)
where:
Base-Base interactions energy: -746.080
where: short stacking energy: -323.026
Base-Backbone interact. energy: -0.470
local terms energy: -321.772874
where:
bonds (distance) C4'-P energy: -60.122
bonds (distance) P-C4' energy: -55.892
flat angles C4'-P-C4' energy: -65.014
flat angles P-C4'-P energy: -47.179
tors. eta vs tors. theta energy: -93.565
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: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -984.713389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.713389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.713389 (E_RNA)
where:
Base-Base interactions energy: -698.359
where: short stacking energy: -292.713
Base-Backbone interact. energy: -1.603
local terms energy: -284.751644
where:
bonds (distance) C4'-P energy: -47.073
bonds (distance) P-C4' energy: -58.019
flat angles C4'-P-C4' energy: -59.021
flat angles P-C4'-P energy: -36.913
tors. eta vs tors. theta energy: -83.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -978.283009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.283009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.283009 (E_RNA)
where:
Base-Base interactions energy: -676.366
where: short stacking energy: -289.551
Base-Backbone interact. energy: -0.356
local terms energy: -301.560841
where:
bonds (distance) C4'-P energy: -46.872
bonds (distance) P-C4' energy: -51.311
flat angles C4'-P-C4' energy: -63.849
flat angles P-C4'-P energy: -49.642
tors. eta vs tors. theta energy: -89.887
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: 8
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -917.034141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.034141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.034141 (E_RNA)
where:
Base-Base interactions energy: -638.531
where: short stacking energy: -270.570
Base-Backbone interact. energy: -1.216
local terms energy: -277.287805
where:
bonds (distance) C4'-P energy: -59.640
bonds (distance) P-C4' energy: -58.816
flat angles C4'-P-C4' energy: -54.355
flat angles P-C4'-P energy: -28.158
tors. eta vs tors. theta energy: -76.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -796.714535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.714535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.714535 (E_RNA)
where:
Base-Base interactions energy: -545.247
where: short stacking energy: -249.717
Base-Backbone interact. energy: -0.939
local terms energy: -250.528055
where:
bonds (distance) C4'-P energy: -41.866
bonds (distance) P-C4' energy: -50.662
flat angles C4'-P-C4' energy: -51.787
flat angles P-C4'-P energy: -36.699
tors. eta vs tors. theta energy: -69.513
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: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -743.338768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.338768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.338768 (E_RNA)
where:
Base-Base interactions energy: -496.975
where: short stacking energy: -221.401
Base-Backbone interact. energy: -2.346
local terms energy: -244.017709
where:
bonds (distance) C4'-P energy: -43.766
bonds (distance) P-C4' energy: -54.967
flat angles C4'-P-C4' energy: -52.285
flat angles P-C4'-P energy: -33.044
tors. eta vs tors. theta energy: -59.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -777.693255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.693255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.693255 (E_RNA)
where:
Base-Base interactions energy: -507.128
where: short stacking energy: -209.571
Base-Backbone interact. energy: -1.857
local terms energy: -268.708226
where:
bonds (distance) C4'-P energy: -48.147
bonds (distance) P-C4' energy: -61.271
flat angles C4'-P-C4' energy: -55.507
flat angles P-C4'-P energy: -41.287
tors. eta vs tors. theta energy: -62.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -567.196860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.196860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.196860 (E_RNA)
where:
Base-Base interactions energy: -363.796
where: short stacking energy: -165.947
Base-Backbone interact. energy: -0.502
local terms energy: -202.898306
where:
bonds (distance) C4'-P energy: -34.474
bonds (distance) P-C4' energy: -49.612
flat angles C4'-P-C4' energy: -51.427
flat angles P-C4'-P energy: -30.211
tors. eta vs tors. theta energy: -37.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -454.635623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.635623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.635623 (E_RNA)
where:
Base-Base interactions energy: -277.863
where: short stacking energy: -123.971
Base-Backbone interact. energy: -1.235
local terms energy: -175.536898
where:
bonds (distance) C4'-P energy: -49.464
bonds (distance) P-C4' energy: -47.408
flat angles C4'-P-C4' energy: -35.535
flat angles P-C4'-P energy: -25.858
tors. eta vs tors. theta energy: -17.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -341.081357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.081357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.081357 (E_RNA)
where:
Base-Base interactions energy: -177.650
where: short stacking energy: -108.305
Base-Backbone interact. energy: -1.450
local terms energy: -161.980500
where:
bonds (distance) C4'-P energy: -40.013
bonds (distance) P-C4' energy: -58.702
flat angles C4'-P-C4' energy: -34.246
flat angles P-C4'-P energy: -22.434
tors. eta vs tors. theta energy: -6.585
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: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1064.320835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.320835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.320835 (E_RNA)
where:
Base-Base interactions energy: -742.234
where: short stacking energy: -321.126
Base-Backbone interact. energy: 1.711
local terms energy: -323.797154
where:
bonds (distance) C4'-P energy: -63.801
bonds (distance) P-C4' energy: -55.254
flat angles C4'-P-C4' energy: -61.099
flat angles P-C4'-P energy: -48.064
tors. eta vs tors. theta energy: -95.580
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: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -987.031782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.031782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.031782 (E_RNA)
where:
Base-Base interactions energy: -695.846
where: short stacking energy: -283.904
Base-Backbone interact. energy: -1.827
local terms energy: -289.358601
where:
bonds (distance) C4'-P energy: -52.429
bonds (distance) P-C4' energy: -49.252
flat angles C4'-P-C4' energy: -58.223
flat angles P-C4'-P energy: -39.112
tors. eta vs tors. theta energy: -90.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -992.566131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.566131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.566131 (E_RNA)
where:
Base-Base interactions energy: -700.387
where: short stacking energy: -296.594
Base-Backbone interact. energy: 1.408
local terms energy: -293.586162
where:
bonds (distance) C4'-P energy: -49.054
bonds (distance) P-C4' energy: -53.185
flat angles C4'-P-C4' energy: -60.282
flat angles P-C4'-P energy: -42.162
tors. eta vs tors. theta energy: -88.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -910.575346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.575346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.575346 (E_RNA)
where:
Base-Base interactions energy: -622.422
where: short stacking energy: -270.846
Base-Backbone interact. energy: -1.958
local terms energy: -286.195181
where:
bonds (distance) C4'-P energy: -50.815
bonds (distance) P-C4' energy: -55.319
flat angles C4'-P-C4' energy: -62.293
flat angles P-C4'-P energy: -40.378
tors. eta vs tors. theta energy: -77.391
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: 5, replica: 10
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -758.398839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.398839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.398839 (E_RNA)
where:
Base-Base interactions energy: -518.165
where: short stacking energy: -223.908
Base-Backbone interact. energy: -1.424
local terms energy: -238.810190
where:
bonds (distance) C4'-P energy: -45.994
bonds (distance) P-C4' energy: -49.946
flat angles C4'-P-C4' energy: -59.908
flat angles P-C4'-P energy: -25.628
tors. eta vs tors. theta energy: -57.335
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: 5
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -783.402964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.402964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.402964 (E_RNA)
where:
Base-Base interactions energy: -540.516
where: short stacking energy: -237.182
Base-Backbone interact. energy: 0.282
local terms energy: -243.168771
where:
bonds (distance) C4'-P energy: -46.254
bonds (distance) P-C4' energy: -51.087
flat angles C4'-P-C4' energy: -39.090
flat angles P-C4'-P energy: -38.640
tors. eta vs tors. theta energy: -68.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -800.672476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.672476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.672476 (E_RNA)
where:
Base-Base interactions energy: -532.622
where: short stacking energy: -249.706
Base-Backbone interact. energy: -0.652
local terms energy: -267.399131
where:
bonds (distance) C4'-P energy: -47.419
bonds (distance) P-C4' energy: -49.778
flat angles C4'-P-C4' energy: -54.165
flat angles P-C4'-P energy: -35.092
tors. eta vs tors. theta energy: -80.946
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: 8, replica: 9
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -529.493341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.493341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.493341 (E_RNA)
where:
Base-Base interactions energy: -328.269
where: short stacking energy: -168.714
Base-Backbone interact. energy: -0.611
local terms energy: -200.613509
where:
bonds (distance) C4'-P energy: -52.457
bonds (distance) P-C4' energy: -54.277
flat angles C4'-P-C4' energy: -45.500
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -27.893
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: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -451.940746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.940746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.940746 (E_RNA)
where:
Base-Base interactions energy: -267.917
where: short stacking energy: -130.414
Base-Backbone interact. energy: 2.332
local terms energy: -186.355618
where:
bonds (distance) C4'-P energy: -31.878
bonds (distance) P-C4' energy: -53.625
flat angles C4'-P-C4' energy: -57.014
flat angles P-C4'-P energy: -24.347
tors. eta vs tors. theta energy: -19.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -345.909527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.909527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.909527 (E_RNA)
where:
Base-Base interactions energy: -188.007
where: short stacking energy: -112.420
Base-Backbone interact. energy: -0.417
local terms energy: -157.486179
where:
bonds (distance) C4'-P energy: -37.860
bonds (distance) P-C4' energy: -50.305
flat angles C4'-P-C4' energy: -54.211
flat angles P-C4'-P energy: -18.569
tors. eta vs tors. theta energy: 3.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1055.695850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.695850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.695850 (E_RNA)
where:
Base-Base interactions energy: -735.615
where: short stacking energy: -312.068
Base-Backbone interact. energy: -1.197
local terms energy: -318.884166
where:
bonds (distance) C4'-P energy: -57.549
bonds (distance) P-C4' energy: -61.023
flat angles C4'-P-C4' energy: -61.945
flat angles P-C4'-P energy: -46.135
tors. eta vs tors. theta energy: -92.233
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: 4
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -997.489880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.489880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.489880 (E_RNA)
where:
Base-Base interactions energy: -686.000
where: short stacking energy: -286.103
Base-Backbone interact. energy: -1.377
local terms energy: -310.113438
where:
bonds (distance) C4'-P energy: -58.985
bonds (distance) P-C4' energy: -62.469
flat angles C4'-P-C4' energy: -55.761
flat angles P-C4'-P energy: -45.567
tors. eta vs tors. theta energy: -87.332
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: 3, replica: 1
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -937.512940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.512940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.512940 (E_RNA)
where:
Base-Base interactions energy: -650.975
where: short stacking energy: -274.024
Base-Backbone interact. energy: -0.025
local terms energy: -286.513223
where:
bonds (distance) C4'-P energy: -54.722
bonds (distance) P-C4' energy: -49.337
flat angles C4'-P-C4' energy: -57.418
flat angles P-C4'-P energy: -38.165
tors. eta vs tors. theta energy: -86.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -905.408461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.408461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.408461 (E_RNA)
where:
Base-Base interactions energy: -624.245
where: short stacking energy: -265.333
Base-Backbone interact. energy: -0.946
local terms energy: -280.217549
where:
bonds (distance) C4'-P energy: -43.256
bonds (distance) P-C4' energy: -54.917
flat angles C4'-P-C4' energy: -64.459
flat angles P-C4'-P energy: -40.758
tors. eta vs tors. theta energy: -76.827
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: 10
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -739.402220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.402220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.402220 (E_RNA)
where:
Base-Base interactions energy: -480.331
where: short stacking energy: -209.469
Base-Backbone interact. energy: -1.192
local terms energy: -257.879062
where:
bonds (distance) C4'-P energy: -61.674
bonds (distance) P-C4' energy: -52.445
flat angles C4'-P-C4' energy: -59.003
flat angles P-C4'-P energy: -35.868
tors. eta vs tors. theta energy: -48.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -777.249580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.249580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.249580 (E_RNA)
where:
Base-Base interactions energy: -528.341
where: short stacking energy: -221.588
Base-Backbone interact. energy: -1.108
local terms energy: -247.800692
where:
bonds (distance) C4'-P energy: -37.144
bonds (distance) P-C4' energy: -54.056
flat angles C4'-P-C4' energy: -61.501
flat angles P-C4'-P energy: -40.848
tors. eta vs tors. theta energy: -54.252
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: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -746.764732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.764732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.764732 (E_RNA)
where:
Base-Base interactions energy: -499.349
where: short stacking energy: -224.229
Base-Backbone interact. energy: -0.793
local terms energy: -246.623000
where:
bonds (distance) C4'-P energy: -51.015
bonds (distance) P-C4' energy: -45.844
flat angles C4'-P-C4' energy: -50.234
flat angles P-C4'-P energy: -25.570
tors. eta vs tors. theta energy: -73.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -567.900409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.900409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.900409 (E_RNA)
where:
Base-Base interactions energy: -373.870
where: short stacking energy: -150.054
Base-Backbone interact. energy: 0.636
local terms energy: -194.666387
where:
bonds (distance) C4'-P energy: -41.685
bonds (distance) P-C4' energy: -49.345
flat angles C4'-P-C4' energy: -48.408
flat angles P-C4'-P energy: -24.693
tors. eta vs tors. theta energy: -30.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -432.787520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -432.787520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -432.787520 (E_RNA)
where:
Base-Base interactions energy: -248.505
where: short stacking energy: -125.708
Base-Backbone interact. energy: 0.507
local terms energy: -184.789318
where:
bonds (distance) C4'-P energy: -41.498
bonds (distance) P-C4' energy: -48.520
flat angles C4'-P-C4' energy: -41.872
flat angles P-C4'-P energy: -29.955
tors. eta vs tors. theta energy: -22.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -334.630568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.630568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.630568 (E_RNA)
where:
Base-Base interactions energy: -185.736
where: short stacking energy: -106.132
Base-Backbone interact. energy: 2.177
local terms energy: -151.071185
where:
bonds (distance) C4'-P energy: -47.613
bonds (distance) P-C4' energy: -37.860
flat angles C4'-P-C4' energy: -44.542
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -5.536
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: 392
Temperature: 0.900000
Total energy: -1046.341420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.341420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.341420 (E_RNA)
where:
Base-Base interactions energy: -729.583
where: short stacking energy: -308.961
Base-Backbone interact. energy: -2.634
local terms energy: -314.123639
where:
bonds (distance) C4'-P energy: -56.800
bonds (distance) P-C4' energy: -54.127
flat angles C4'-P-C4' energy: -65.869
flat angles P-C4'-P energy: -50.182
tors. eta vs tors. theta energy: -87.147
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: 4
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1011.325294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.325294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.325294 (E_RNA)
where:
Base-Base interactions energy: -712.366
where: short stacking energy: -300.726
Base-Backbone interact. energy: -1.692
local terms energy: -297.266817
where:
bonds (distance) C4'-P energy: -50.245
bonds (distance) P-C4' energy: -56.112
flat angles C4'-P-C4' energy: -63.155
flat angles P-C4'-P energy: -37.211
tors. eta vs tors. theta energy: -90.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -967.697548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.697548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.697548 (E_RNA)
where:
Base-Base interactions energy: -686.056
where: short stacking energy: -286.179
Base-Backbone interact. energy: 2.033
local terms energy: -283.674356
where:
bonds (distance) C4'-P energy: -45.979
bonds (distance) P-C4' energy: -52.072
flat angles C4'-P-C4' energy: -63.127
flat angles P-C4'-P energy: -32.192
tors. eta vs tors. theta energy: -90.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -908.627094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.627094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.627094 (E_RNA)
where:
Base-Base interactions energy: -623.957
where: short stacking energy: -261.733
Base-Backbone interact. energy: -0.772
local terms energy: -283.898951
where:
bonds (distance) C4'-P energy: -57.630
bonds (distance) P-C4' energy: -49.311
flat angles C4'-P-C4' energy: -60.269
flat angles P-C4'-P energy: -40.756
tors. eta vs tors. theta energy: -75.933
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: 5
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -793.248803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.248803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.248803 (E_RNA)
where:
Base-Base interactions energy: -530.282
where: short stacking energy: -225.041
Base-Backbone interact. energy: -0.606
local terms energy: -262.360972
where:
bonds (distance) C4'-P energy: -49.391
bonds (distance) P-C4' energy: -48.749
flat angles C4'-P-C4' energy: -58.767
flat angles P-C4'-P energy: -36.549
tors. eta vs tors. theta energy: -68.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -754.723087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.723087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.723087 (E_RNA)
where:
Base-Base interactions energy: -501.994
where: short stacking energy: -213.133
Base-Backbone interact. energy: -0.927
local terms energy: -251.802373
where:
bonds (distance) C4'-P energy: -44.013
bonds (distance) P-C4' energy: -58.119
flat angles C4'-P-C4' energy: -60.814
flat angles P-C4'-P energy: -36.169
tors. eta vs tors. theta energy: -52.687
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: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -712.078469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.078469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.078469 (E_RNA)
where:
Base-Base interactions energy: -470.741
where: short stacking energy: -203.825
Base-Backbone interact. energy: 5.326
local terms energy: -246.662993
where:
bonds (distance) C4'-P energy: -53.462
bonds (distance) P-C4' energy: -54.021
flat angles C4'-P-C4' energy: -56.955
flat angles P-C4'-P energy: -29.751
tors. eta vs tors. theta energy: -52.473
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: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -636.162815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -636.162815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -636.162815 (E_RNA)
where:
Base-Base interactions energy: -416.876
where: short stacking energy: -195.366
Base-Backbone interact. energy: -1.281
local terms energy: -218.006110
where:
bonds (distance) C4'-P energy: -40.042
bonds (distance) P-C4' energy: -47.871
flat angles C4'-P-C4' energy: -58.570
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: -41.995
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: 9, replica: 6
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -461.334022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.334022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.334022 (E_RNA)
where:
Base-Base interactions energy: -261.599
where: short stacking energy: -147.098
Base-Backbone interact. energy: -1.008
local terms energy: -198.727126
where:
bonds (distance) C4'-P energy: -40.243
bonds (distance) P-C4' energy: -54.353
flat angles C4'-P-C4' energy: -39.017
flat angles P-C4'-P energy: -32.183
tors. eta vs tors. theta energy: -32.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -342.016612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.016612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.016612 (E_RNA)
where:
Base-Base interactions energy: -174.781
where: short stacking energy: -95.147
Base-Backbone interact. energy: -0.547
local terms energy: -166.688070
where:
bonds (distance) C4'-P energy: -39.404
bonds (distance) P-C4' energy: -47.601
flat angles C4'-P-C4' energy: -42.007
flat angles P-C4'-P energy: -31.591
tors. eta vs tors. theta energy: -6.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1049.500837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.500837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.500837 (E_RNA)
where:
Base-Base interactions energy: -736.910
where: short stacking energy: -295.180
Base-Backbone interact. energy: -1.744
local terms energy: -310.846844
where:
bonds (distance) C4'-P energy: -58.926
bonds (distance) P-C4' energy: -57.482
flat angles C4'-P-C4' energy: -62.954
flat angles P-C4'-P energy: -46.643
tors. eta vs tors. theta energy: -84.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1001.898309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.898309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.898309 (E_RNA)
where:
Base-Base interactions energy: -704.275
where: short stacking energy: -292.579
Base-Backbone interact. energy: -1.412
local terms energy: -296.211066
where:
bonds (distance) C4'-P energy: -56.217
bonds (distance) P-C4' energy: -54.426
flat angles C4'-P-C4' energy: -57.232
flat angles P-C4'-P energy: -44.524
tors. eta vs tors. theta energy: -83.812
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: 3, replica: 1
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -977.850887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.850887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.850887 (E_RNA)
where:
Base-Base interactions energy: -679.908
where: short stacking energy: -287.639
Base-Backbone interact. energy: -0.765
local terms energy: -297.177911
where:
bonds (distance) C4'-P energy: -47.085
bonds (distance) P-C4' energy: -63.136
flat angles C4'-P-C4' energy: -50.460
flat angles P-C4'-P energy: -47.163
tors. eta vs tors. theta energy: -89.334
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: 393
Temperature: 1.050000
Total energy: -917.487247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.487247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.487247 (E_RNA)
where:
Base-Base interactions energy: -637.332
where: short stacking energy: -288.219
Base-Backbone interact. energy: -2.415
local terms energy: -277.739610
where:
bonds (distance) C4'-P energy: -41.953
bonds (distance) P-C4' energy: -57.477
flat angles C4'-P-C4' energy: -54.842
flat angles P-C4'-P energy: -47.307
tors. eta vs tors. theta energy: -76.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -803.026914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.026914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.026914 (E_RNA)
where:
Base-Base interactions energy: -558.417
where: short stacking energy: -233.635
Base-Backbone interact. energy: 0.157
local terms energy: -244.767283
where:
bonds (distance) C4'-P energy: -43.767
bonds (distance) P-C4' energy: -43.398
flat angles C4'-P-C4' energy: -56.213
flat angles P-C4'-P energy: -35.823
tors. eta vs tors. theta energy: -65.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -745.118525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.118525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.118525 (E_RNA)
where:
Base-Base interactions energy: -497.416
where: short stacking energy: -204.157
Base-Backbone interact. energy: -0.772
local terms energy: -246.930433
where:
bonds (distance) C4'-P energy: -37.516
bonds (distance) P-C4' energy: -55.689
flat angles C4'-P-C4' energy: -59.611
flat angles P-C4'-P energy: -44.033
tors. eta vs tors. theta energy: -50.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -713.491976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.491976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.491976 (E_RNA)
where:
Base-Base interactions energy: -477.270
where: short stacking energy: -216.912
Base-Backbone interact. energy: -0.552
local terms energy: -235.670410
where:
bonds (distance) C4'-P energy: -42.159
bonds (distance) P-C4' energy: -59.395
flat angles C4'-P-C4' energy: -47.539
flat angles P-C4'-P energy: -34.356
tors. eta vs tors. theta energy: -52.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -644.935749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -644.935749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -644.935749 (E_RNA)
where:
Base-Base interactions energy: -432.717
where: short stacking energy: -194.710
Base-Backbone interact. energy: -1.084
local terms energy: -211.135259
where:
bonds (distance) C4'-P energy: -45.082
bonds (distance) P-C4' energy: -41.140
flat angles C4'-P-C4' energy: -47.020
flat angles P-C4'-P energy: -31.526
tors. eta vs tors. theta energy: -46.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -460.696333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -460.696333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -460.696333 (E_RNA)
where:
Base-Base interactions energy: -265.027
where: short stacking energy: -144.998
Base-Backbone interact. energy: -0.400
local terms energy: -195.269429
where:
bonds (distance) C4'-P energy: -27.093
bonds (distance) P-C4' energy: -46.743
flat angles C4'-P-C4' energy: -49.298
flat angles P-C4'-P energy: -43.265
tors. eta vs tors. theta energy: -28.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -351.446739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.446739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.446739 (E_RNA)
where:
Base-Base interactions energy: -190.355
where: short stacking energy: -107.093
Base-Backbone interact. energy: 1.322
local terms energy: -162.414228
where:
bonds (distance) C4'-P energy: -51.357
bonds (distance) P-C4' energy: -46.942
flat angles C4'-P-C4' energy: -27.504
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -2.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1034.399800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.399800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.399800 (E_RNA)
where:
Base-Base interactions energy: -727.476
where: short stacking energy: -295.891
Base-Backbone interact. energy: -0.070
local terms energy: -306.854273
where:
bonds (distance) C4'-P energy: -53.558
bonds (distance) P-C4' energy: -55.478
flat angles C4'-P-C4' energy: -62.625
flat angles P-C4'-P energy: -44.047
tors. eta vs tors. theta energy: -91.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -992.514892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.514892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.514892 (E_RNA)
where:
Base-Base interactions energy: -686.552
where: short stacking energy: -283.764
Base-Backbone interact. energy: -1.695
local terms energy: -304.267329
where:
bonds (distance) C4'-P energy: -61.025
bonds (distance) P-C4' energy: -55.849
flat angles C4'-P-C4' energy: -66.567
flat angles P-C4'-P energy: -40.802
tors. eta vs tors. theta energy: -80.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -978.775540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.775540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.775540 (E_RNA)
where:
Base-Base interactions energy: -678.850
where: short stacking energy: -279.622
Base-Backbone interact. energy: -0.539
local terms energy: -299.386670
where:
bonds (distance) C4'-P energy: -45.271
bonds (distance) P-C4' energy: -58.501
flat angles C4'-P-C4' energy: -63.075
flat angles P-C4'-P energy: -43.012
tors. eta vs tors. theta energy: -89.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -883.098097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.098097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.098097 (E_RNA)
where:
Base-Base interactions energy: -592.722
where: short stacking energy: -239.992
Base-Backbone interact. energy: -3.539
local terms energy: -286.836955
where:
bonds (distance) C4'-P energy: -56.091
bonds (distance) P-C4' energy: -58.977
flat angles C4'-P-C4' energy: -59.205
flat angles P-C4'-P energy: -38.535
tors. eta vs tors. theta energy: -74.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -772.208373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.208373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.208373 (E_RNA)
where:
Base-Base interactions energy: -515.664
where: short stacking energy: -234.695
Base-Backbone interact. energy: -0.788
local terms energy: -255.755847
where:
bonds (distance) C4'-P energy: -48.643
bonds (distance) P-C4' energy: -56.624
flat angles C4'-P-C4' energy: -51.002
flat angles P-C4'-P energy: -31.606
tors. eta vs tors. theta energy: -67.881
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: 10
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -753.319327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.319327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.319327 (E_RNA)
where:
Base-Base interactions energy: -514.643
where: short stacking energy: -223.732
Base-Backbone interact. energy: -0.768
local terms energy: -237.907903
where:
bonds (distance) C4'-P energy: -47.935
bonds (distance) P-C4' energy: -45.967
flat angles C4'-P-C4' energy: -50.411
flat angles P-C4'-P energy: -36.668
tors. eta vs tors. theta energy: -56.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -710.941724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.941724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.941724 (E_RNA)
where:
Base-Base interactions energy: -461.733
where: short stacking energy: -204.694
Base-Backbone interact. energy: -0.982
local terms energy: -248.226296
where:
bonds (distance) C4'-P energy: -45.947
bonds (distance) P-C4' energy: -44.470
flat angles C4'-P-C4' energy: -69.557
flat angles P-C4'-P energy: -38.751
tors. eta vs tors. theta energy: -49.501
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: 9
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -603.095944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -603.095944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -603.095944 (E_RNA)
where:
Base-Base interactions energy: -383.361
where: short stacking energy: -182.872
Base-Backbone interact. energy: -0.861
local terms energy: -218.873490
where:
bonds (distance) C4'-P energy: -53.938
bonds (distance) P-C4' energy: -45.482
flat angles C4'-P-C4' energy: -52.669
flat angles P-C4'-P energy: -29.344
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: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -471.255305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -471.255305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -471.255305 (E_RNA)
where:
Base-Base interactions energy: -278.127
where: short stacking energy: -158.459
Base-Backbone interact. energy: -0.259
local terms energy: -192.869377
where:
bonds (distance) C4'-P energy: -40.629
bonds (distance) P-C4' energy: -55.261
flat angles C4'-P-C4' energy: -45.579
flat angles P-C4'-P energy: -21.866
tors. eta vs tors. theta energy: -29.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -358.787493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.787493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.787493 (E_RNA)
where:
Base-Base interactions energy: -170.934
where: short stacking energy: -101.760
Base-Backbone interact. energy: -0.534
local terms energy: -187.319248
where:
bonds (distance) C4'-P energy: -43.545
bonds (distance) P-C4' energy: -50.166
flat angles C4'-P-C4' energy: -41.890
flat angles P-C4'-P energy: -33.984
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1042.323640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.323640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.323640 (E_RNA)
where:
Base-Base interactions energy: -738.849
where: short stacking energy: -289.261
Base-Backbone interact. energy: -1.802
local terms energy: -301.673051
where:
bonds (distance) C4'-P energy: -61.567
bonds (distance) P-C4' energy: -48.934
flat angles C4'-P-C4' energy: -66.648
flat angles P-C4'-P energy: -35.505
tors. eta vs tors. theta energy: -89.018
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: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -993.678528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.678528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.678528 (E_RNA)
where:
Base-Base interactions energy: -687.001
where: short stacking energy: -276.466
Base-Backbone interact. energy: -0.347
local terms energy: -306.329816
where:
bonds (distance) C4'-P energy: -57.750
bonds (distance) P-C4' energy: -59.247
flat angles C4'-P-C4' energy: -62.179
flat angles P-C4'-P energy: -42.211
tors. eta vs tors. theta energy: -84.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -985.054886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.054886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.054886 (E_RNA)
where:
Base-Base interactions energy: -683.955
where: short stacking energy: -290.252
Base-Backbone interact. energy: -0.708
local terms energy: -300.391688
where:
bonds (distance) C4'-P energy: -48.055
bonds (distance) P-C4' energy: -61.562
flat angles C4'-P-C4' energy: -60.081
flat angles P-C4'-P energy: -50.645
tors. eta vs tors. theta energy: -80.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -876.943295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.943295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.943295 (E_RNA)
where:
Base-Base interactions energy: -593.666
where: short stacking energy: -255.248
Base-Backbone interact. energy: -1.774
local terms energy: -281.502665
where:
bonds (distance) C4'-P energy: -46.955
bonds (distance) P-C4' energy: -57.588
flat angles C4'-P-C4' energy: -58.921
flat angles P-C4'-P energy: -39.253
tors. eta vs tors. theta energy: -78.786
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: 395
Temperature: 1.100000
Total energy: -805.892860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.892860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.892860 (E_RNA)
where:
Base-Base interactions energy: -524.918
where: short stacking energy: -225.363
Base-Backbone interact. energy: -0.924
local terms energy: -280.050458
where:
bonds (distance) C4'-P energy: -63.663
bonds (distance) P-C4' energy: -57.593
flat angles C4'-P-C4' energy: -59.855
flat angles P-C4'-P energy: -40.541
tors. eta vs tors. theta energy: -58.399
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: 10
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -785.273404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.273404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.273404 (E_RNA)
where:
Base-Base interactions energy: -537.700
where: short stacking energy: -228.494
Base-Backbone interact. energy: -3.896
local terms energy: -243.677815
where:
bonds (distance) C4'-P energy: -47.282
bonds (distance) P-C4' energy: -42.816
flat angles C4'-P-C4' energy: -54.174
flat angles P-C4'-P energy: -32.425
tors. eta vs tors. theta energy: -66.980
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: 7, replica: 2
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -676.999634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.999634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.999634 (E_RNA)
where:
Base-Base interactions energy: -418.562
where: short stacking energy: -194.257
Base-Backbone interact. energy: 0.389
local terms energy: -258.827094
where:
bonds (distance) C4'-P energy: -48.909
bonds (distance) P-C4' energy: -54.231
flat angles C4'-P-C4' energy: -57.626
flat angles P-C4'-P energy: -40.547
tors. eta vs tors. theta energy: -57.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -597.889331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -597.889331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -597.889331 (E_RNA)
where:
Base-Base interactions energy: -351.886
where: short stacking energy: -178.115
Base-Backbone interact. energy: 2.075
local terms energy: -248.078242
where:
bonds (distance) C4'-P energy: -56.629
bonds (distance) P-C4' energy: -57.424
flat angles C4'-P-C4' energy: -54.063
flat angles P-C4'-P energy: -36.544
tors. eta vs tors. theta energy: -43.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -474.337736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.337736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.337736 (E_RNA)
where:
Base-Base interactions energy: -295.772
where: short stacking energy: -147.437
Base-Backbone interact. energy: -1.284
local terms energy: -177.282093
where:
bonds (distance) C4'-P energy: -37.812
bonds (distance) P-C4' energy: -42.128
flat angles C4'-P-C4' energy: -43.904
flat angles P-C4'-P energy: -26.527
tors. eta vs tors. theta energy: -26.912
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: 3
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -341.771579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.771579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.771579 (E_RNA)
where:
Base-Base interactions energy: -168.466
where: short stacking energy: -100.076
Base-Backbone interact. energy: 0.059
local terms energy: -173.364155
where:
bonds (distance) C4'-P energy: -30.655
bonds (distance) P-C4' energy: -57.671
flat angles C4'-P-C4' energy: -46.786
flat angles P-C4'-P energy: -26.589
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1047.955582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.955582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.955582 (E_RNA)
where:
Base-Base interactions energy: -724.332
where: short stacking energy: -291.195
Base-Backbone interact. energy: -1.643
local terms energy: -321.980262
where:
bonds (distance) C4'-P energy: -59.830
bonds (distance) P-C4' energy: -57.709
flat angles C4'-P-C4' energy: -66.871
flat angles P-C4'-P energy: -46.769
tors. eta vs tors. theta energy: -90.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1005.705600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.705600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.705600 (E_RNA)
where:
Base-Base interactions energy: -707.166
where: short stacking energy: -303.816
Base-Backbone interact. energy: -0.939
local terms energy: -297.601081
where:
bonds (distance) C4'-P energy: -49.075
bonds (distance) P-C4' energy: -55.850
flat angles C4'-P-C4' energy: -61.077
flat angles P-C4'-P energy: -42.641
tors. eta vs tors. theta energy: -88.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -980.924003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.924003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.924003 (E_RNA)
where:
Base-Base interactions energy: -682.954
where: short stacking energy: -289.518
Base-Backbone interact. energy: 0.802
local terms energy: -298.772016
where:
bonds (distance) C4'-P energy: -52.328
bonds (distance) P-C4' energy: -50.671
flat angles C4'-P-C4' energy: -63.817
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -89.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -886.676377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.676377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.676377 (E_RNA)
where:
Base-Base interactions energy: -604.757
where: short stacking energy: -277.592
Base-Backbone interact. energy: -1.350
local terms energy: -280.569337
where:
bonds (distance) C4'-P energy: -50.828
bonds (distance) P-C4' energy: -57.060
flat angles C4'-P-C4' energy: -59.237
flat angles P-C4'-P energy: -30.769
tors. eta vs tors. theta energy: -82.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -785.449918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.449918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.449918 (E_RNA)
where:
Base-Base interactions energy: -514.541
where: short stacking energy: -242.320
Base-Backbone interact. energy: -1.811
local terms energy: -269.097023
where:
bonds (distance) C4'-P energy: -41.209
bonds (distance) P-C4' energy: -53.989
flat angles C4'-P-C4' energy: -63.356
flat angles P-C4'-P energy: -41.117
tors. eta vs tors. theta energy: -69.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -776.455366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.455366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.455366 (E_RNA)
where:
Base-Base interactions energy: -527.898
where: short stacking energy: -220.616
Base-Backbone interact. energy: -0.350
local terms energy: -248.207204
where:
bonds (distance) C4'-P energy: -42.675
bonds (distance) P-C4' energy: -48.697
flat angles C4'-P-C4' energy: -52.621
flat angles P-C4'-P energy: -40.107
tors. eta vs tors. theta energy: -64.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -675.311723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -675.311723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -675.311723 (E_RNA)
where:
Base-Base interactions energy: -420.626
where: short stacking energy: -198.859
Base-Backbone interact. energy: -1.269
local terms energy: -253.416866
where:
bonds (distance) C4'-P energy: -52.819
bonds (distance) P-C4' energy: -56.980
flat angles C4'-P-C4' energy: -56.612
flat angles P-C4'-P energy: -27.777
tors. eta vs tors. theta energy: -59.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -580.243609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.243609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.243609 (E_RNA)
where:
Base-Base interactions energy: -364.982
where: short stacking energy: -169.315
Base-Backbone interact. energy: 2.973
local terms energy: -218.234319
where:
bonds (distance) C4'-P energy: -48.999
bonds (distance) P-C4' energy: -53.124
flat angles C4'-P-C4' energy: -48.124
flat angles P-C4'-P energy: -35.216
tors. eta vs tors. theta energy: -32.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -446.093908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -446.093908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -446.093908 (E_RNA)
where:
Base-Base interactions energy: -266.728
where: short stacking energy: -122.497
Base-Backbone interact. energy: 1.992
local terms energy: -181.358342
where:
bonds (distance) C4'-P energy: -47.462
bonds (distance) P-C4' energy: -42.844
flat angles C4'-P-C4' energy: -39.492
flat angles P-C4'-P energy: -33.098
tors. eta vs tors. theta energy: -18.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -343.834123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.834123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.834123 (E_RNA)
where:
Base-Base interactions energy: -194.792
where: short stacking energy: -107.925
Base-Backbone interact. energy: -0.701
local terms energy: -148.341971
where:
bonds (distance) C4'-P energy: -34.239
bonds (distance) P-C4' energy: -64.475
flat angles C4'-P-C4' energy: -27.540
flat angles P-C4'-P energy: -23.466
tors. eta vs tors. theta energy: 1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1056.224515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.224515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.224515 (E_RNA)
where:
Base-Base interactions energy: -735.927
where: short stacking energy: -305.195
Base-Backbone interact. energy: 0.256
local terms energy: -320.553592
where:
bonds (distance) C4'-P energy: -61.258
bonds (distance) P-C4' energy: -57.109
flat angles C4'-P-C4' energy: -63.428
flat angles P-C4'-P energy: -39.888
tors. eta vs tors. theta energy: -98.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1024.052120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.052120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.052120 (E_RNA)
where:
Base-Base interactions energy: -700.399
where: short stacking energy: -296.435
Base-Backbone interact. energy: -0.696
local terms energy: -322.957039
where:
bonds (distance) C4'-P energy: -57.603
bonds (distance) P-C4' energy: -68.691
flat angles C4'-P-C4' energy: -65.105
flat angles P-C4'-P energy: -41.409
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: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -972.550580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.550580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.550580 (E_RNA)
where:
Base-Base interactions energy: -671.350
where: short stacking energy: -295.507
Base-Backbone interact. energy: -0.979
local terms energy: -300.221611
where:
bonds (distance) C4'-P energy: -57.880
bonds (distance) P-C4' energy: -48.752
flat angles C4'-P-C4' energy: -64.049
flat angles P-C4'-P energy: -40.822
tors. eta vs tors. theta energy: -88.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -855.428052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.428052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.428052 (E_RNA)
where:
Base-Base interactions energy: -582.129
where: short stacking energy: -247.127
Base-Backbone interact. energy: -1.953
local terms energy: -271.346005
where:
bonds (distance) C4'-P energy: -55.140
bonds (distance) P-C4' energy: -47.225
flat angles C4'-P-C4' energy: -62.473
flat angles P-C4'-P energy: -36.642
tors. eta vs tors. theta energy: -69.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -782.473748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.473748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.473748 (E_RNA)
where:
Base-Base interactions energy: -528.227
where: short stacking energy: -227.610
Base-Backbone interact. energy: -0.648
local terms energy: -253.598434
where:
bonds (distance) C4'-P energy: -45.204
bonds (distance) P-C4' energy: -52.229
flat angles C4'-P-C4' energy: -55.654
flat angles P-C4'-P energy: -31.835
tors. eta vs tors. theta energy: -68.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -720.573848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.573848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.573848 (E_RNA)
where:
Base-Base interactions energy: -478.552
where: short stacking energy: -197.747
Base-Backbone interact. energy: -2.433
local terms energy: -239.589011
where:
bonds (distance) C4'-P energy: -51.113
bonds (distance) P-C4' energy: -52.446
flat angles C4'-P-C4' energy: -50.750
flat angles P-C4'-P energy: -28.457
tors. eta vs tors. theta energy: -56.824
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: 5
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -750.105502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.105502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.105502 (E_RNA)
where:
Base-Base interactions energy: -508.576
where: short stacking energy: -234.443
Base-Backbone interact. energy: -1.546
local terms energy: -239.984078
where:
bonds (distance) C4'-P energy: -36.496
bonds (distance) P-C4' energy: -55.632
flat angles C4'-P-C4' energy: -51.420
flat angles P-C4'-P energy: -31.031
tors. eta vs tors. theta energy: -65.405
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: 397
Temperature: 1.250000
Total energy: -587.126762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -587.126762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -587.126762 (E_RNA)
where:
Base-Base interactions energy: -372.732
where: short stacking energy: -188.579
Base-Backbone interact. energy: -0.721
local terms energy: -213.673869
where:
bonds (distance) C4'-P energy: -42.427
bonds (distance) P-C4' energy: -43.893
flat angles C4'-P-C4' energy: -49.764
flat angles P-C4'-P energy: -29.531
tors. eta vs tors. theta energy: -48.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -467.262107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.262107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.262107 (E_RNA)
where:
Base-Base interactions energy: -264.409
where: short stacking energy: -127.928
Base-Backbone interact. energy: -2.036
local terms energy: -200.816143
where:
bonds (distance) C4'-P energy: -47.922
bonds (distance) P-C4' energy: -58.299
flat angles C4'-P-C4' energy: -48.487
flat angles P-C4'-P energy: -30.984
tors. eta vs tors. theta energy: -15.123
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: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -349.278549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.278549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.278549 (E_RNA)
where:
Base-Base interactions energy: -185.571
where: short stacking energy: -118.740
Base-Backbone interact. energy: -1.500
local terms energy: -162.207561
where:
bonds (distance) C4'-P energy: -38.374
bonds (distance) P-C4' energy: -42.029
flat angles C4'-P-C4' energy: -37.170
flat angles P-C4'-P energy: -30.840
tors. eta vs tors. theta energy: -13.794
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: 1
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1042.024110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.024110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.024110 (E_RNA)
where:
Base-Base interactions energy: -712.004
where: short stacking energy: -317.813
Base-Backbone interact. energy: -0.984
local terms energy: -329.035985
where:
bonds (distance) C4'-P energy: -59.665
bonds (distance) P-C4' energy: -63.203
flat angles C4'-P-C4' energy: -61.826
flat angles P-C4'-P energy: -47.477
tors. eta vs tors. theta energy: -96.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1044.077102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.077102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.077102 (E_RNA)
where:
Base-Base interactions energy: -722.249
where: short stacking energy: -303.727
Base-Backbone interact. energy: -2.870
local terms energy: -318.958207
where:
bonds (distance) C4'-P energy: -55.960
bonds (distance) P-C4' energy: -57.412
flat angles C4'-P-C4' energy: -61.051
flat angles P-C4'-P energy: -46.476
tors. eta vs tors. theta energy: -98.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -970.454961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.454961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.454961 (E_RNA)
where:
Base-Base interactions energy: -691.820
where: short stacking energy: -287.366
Base-Backbone interact. energy: 1.178
local terms energy: -279.812875
where:
bonds (distance) C4'-P energy: -53.527
bonds (distance) P-C4' energy: -56.404
flat angles C4'-P-C4' energy: -53.435
flat angles P-C4'-P energy: -33.317
tors. eta vs tors. theta energy: -83.130
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: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -918.928438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.928438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.928438 (E_RNA)
where:
Base-Base interactions energy: -616.857
where: short stacking energy: -269.699
Base-Backbone interact. energy: -0.799
local terms energy: -301.272582
where:
bonds (distance) C4'-P energy: -59.287
bonds (distance) P-C4' energy: -57.612
flat angles C4'-P-C4' energy: -62.926
flat angles P-C4'-P energy: -38.242
tors. eta vs tors. theta energy: -83.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -778.009027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.009027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.009027 (E_RNA)
where:
Base-Base interactions energy: -524.422
where: short stacking energy: -234.725
Base-Backbone interact. energy: 0.955
local terms energy: -254.541290
where:
bonds (distance) C4'-P energy: -45.720
bonds (distance) P-C4' energy: -42.833
flat angles C4'-P-C4' energy: -54.646
flat angles P-C4'-P energy: -45.044
tors. eta vs tors. theta energy: -66.297
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: 10
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -753.549521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.549521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.549521 (E_RNA)
where:
Base-Base interactions energy: -521.764
where: short stacking energy: -234.411
Base-Backbone interact. energy: 0.935
local terms energy: -232.721253
where:
bonds (distance) C4'-P energy: -41.300
bonds (distance) P-C4' energy: -49.878
flat angles C4'-P-C4' energy: -54.365
flat angles P-C4'-P energy: -31.570
tors. eta vs tors. theta energy: -55.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -739.772182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.772182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.772182 (E_RNA)
where:
Base-Base interactions energy: -520.528
where: short stacking energy: -226.462
Base-Backbone interact. energy: -1.003
local terms energy: -218.241810
where:
bonds (distance) C4'-P energy: -38.158
bonds (distance) P-C4' energy: -46.177
flat angles C4'-P-C4' energy: -38.134
flat angles P-C4'-P energy: -35.209
tors. eta vs tors. theta energy: -60.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -572.750021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -572.750021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -572.750021 (E_RNA)
where:
Base-Base interactions energy: -359.529
where: short stacking energy: -182.632
Base-Backbone interact. energy: 0.591
local terms energy: -213.812303
where:
bonds (distance) C4'-P energy: -45.145
bonds (distance) P-C4' energy: -48.988
flat angles C4'-P-C4' energy: -49.914
flat angles P-C4'-P energy: -32.143
tors. eta vs tors. theta energy: -37.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -479.769595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.769595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.769595 (E_RNA)
where:
Base-Base interactions energy: -291.558
where: short stacking energy: -146.652
Base-Backbone interact. energy: -0.682
local terms energy: -187.529135
where:
bonds (distance) C4'-P energy: -40.841
bonds (distance) P-C4' energy: -38.440
flat angles C4'-P-C4' energy: -52.126
flat angles P-C4'-P energy: -26.389
tors. eta vs tors. theta energy: -29.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -345.005918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.005918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.005918 (E_RNA)
where:
Base-Base interactions energy: -183.264
where: short stacking energy: -98.040
Base-Backbone interact. energy: 3.419
local terms energy: -165.160202
where:
bonds (distance) C4'-P energy: -40.073
bonds (distance) P-C4' energy: -57.074
flat angles C4'-P-C4' energy: -42.725
flat angles P-C4'-P energy: -16.068
tors. eta vs tors. theta energy: -9.220
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: 1
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1025.231046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.231046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.231046 (E_RNA)
where:
Base-Base interactions energy: -706.285
where: short stacking energy: -294.891
Base-Backbone interact. energy: -1.122
local terms energy: -317.824441
where:
bonds (distance) C4'-P energy: -58.116
bonds (distance) P-C4' energy: -51.472
flat angles C4'-P-C4' energy: -64.681
flat angles P-C4'-P energy: -48.880
tors. eta vs tors. theta energy: -94.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1037.223794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.223794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.223794 (E_RNA)
where:
Base-Base interactions energy: -729.635
where: short stacking energy: -299.339
Base-Backbone interact. energy: -0.938
local terms energy: -306.650739
where:
bonds (distance) C4'-P energy: -57.032
bonds (distance) P-C4' energy: -51.383
flat angles C4'-P-C4' energy: -65.657
flat angles P-C4'-P energy: -40.950
tors. eta vs tors. theta energy: -91.629
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: 3, replica: 4
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -981.028701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.028701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.028701 (E_RNA)
where:
Base-Base interactions energy: -689.776
where: short stacking energy: -290.978
Base-Backbone interact. energy: -0.388
local terms energy: -290.864314
where:
bonds (distance) C4'-P energy: -51.090
bonds (distance) P-C4' energy: -50.517
flat angles C4'-P-C4' energy: -62.416
flat angles P-C4'-P energy: -34.674
tors. eta vs tors. theta energy: -92.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -895.492646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.492646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.492646 (E_RNA)
where:
Base-Base interactions energy: -598.911
where: short stacking energy: -256.049
Base-Backbone interact. energy: -1.596
local terms energy: -294.985699
where:
bonds (distance) C4'-P energy: -57.112
bonds (distance) P-C4' energy: -57.270
flat angles C4'-P-C4' energy: -63.430
flat angles P-C4'-P energy: -36.117
tors. eta vs tors. theta energy: -81.056
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: 5, replica: 2
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -805.249631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.249631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.249631 (E_RNA)
where:
Base-Base interactions energy: -526.425
where: short stacking energy: -256.029
Base-Backbone interact. energy: -0.610
local terms energy: -278.215285
where:
bonds (distance) C4'-P energy: -53.664
bonds (distance) P-C4' energy: -55.333
flat angles C4'-P-C4' energy: -55.820
flat angles P-C4'-P energy: -39.786
tors. eta vs tors. theta energy: -73.612
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: 5
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -769.786963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.786963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.786963 (E_RNA)
where:
Base-Base interactions energy: -535.854
where: short stacking energy: -239.525
Base-Backbone interact. energy: -1.073
local terms energy: -232.860322
where:
bonds (distance) C4'-P energy: -56.261
bonds (distance) P-C4' energy: -35.501
flat angles C4'-P-C4' energy: -50.530
flat angles P-C4'-P energy: -32.225
tors. eta vs tors. theta energy: -58.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -740.442220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.442220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.442220 (E_RNA)
where:
Base-Base interactions energy: -510.086
where: short stacking energy: -221.575
Base-Backbone interact. energy: 0.707
local terms energy: -231.063611
where:
bonds (distance) C4'-P energy: -33.828
bonds (distance) P-C4' energy: -46.966
flat angles C4'-P-C4' energy: -54.338
flat angles P-C4'-P energy: -38.278
tors. eta vs tors. theta energy: -57.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -483.230425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.230425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.230425 (E_RNA)
where:
Base-Base interactions energy: -303.217
where: short stacking energy: -141.495
Base-Backbone interact. energy: 1.274
local terms energy: -181.288155
where:
bonds (distance) C4'-P energy: -46.615
bonds (distance) P-C4' energy: -41.507
flat angles C4'-P-C4' energy: -38.385
flat angles P-C4'-P energy: -31.130
tors. eta vs tors. theta energy: -23.652
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: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -545.186260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -545.186260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -545.186260 (E_RNA)
where:
Base-Base interactions energy: -356.153
where: short stacking energy: -157.418
Base-Backbone interact. energy: 0.781
local terms energy: -189.814254
where:
bonds (distance) C4'-P energy: -42.716
bonds (distance) P-C4' energy: -51.998
flat angles C4'-P-C4' energy: -45.240
flat angles P-C4'-P energy: -24.028
tors. eta vs tors. theta energy: -25.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -389.120364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -389.120364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -389.120364 (E_RNA)
where:
Base-Base interactions energy: -204.472
where: short stacking energy: -109.394
Base-Backbone interact. energy: -0.574
local terms energy: -184.074129
where:
bonds (distance) C4'-P energy: -48.817
bonds (distance) P-C4' energy: -42.240
flat angles C4'-P-C4' energy: -49.402
flat angles P-C4'-P energy: -34.214
tors. eta vs tors. theta energy: -9.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1035.362787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.362787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.362787 (E_RNA)
where:
Base-Base interactions energy: -717.391
where: short stacking energy: -291.776
Base-Backbone interact. energy: -1.363
local terms energy: -316.609211
where:
bonds (distance) C4'-P energy: -56.307
bonds (distance) P-C4' energy: -63.998
flat angles C4'-P-C4' energy: -64.840
flat angles P-C4'-P energy: -39.155
tors. eta vs tors. theta energy: -92.309
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: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1043.878815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.878815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.878815 (E_RNA)
where:
Base-Base interactions energy: -744.024
where: short stacking energy: -312.950
Base-Backbone interact. energy: -1.724
local terms energy: -298.131284
where:
bonds (distance) C4'-P energy: -55.602
bonds (distance) P-C4' energy: -49.418
flat angles C4'-P-C4' energy: -62.849
flat angles P-C4'-P energy: -33.602
tors. eta vs tors. theta energy: -96.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -971.763653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.763653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.763653 (E_RNA)
where:
Base-Base interactions energy: -690.788
where: short stacking energy: -286.203
Base-Backbone interact. energy: -1.890
local terms energy: -279.085565
where:
bonds (distance) C4'-P energy: -48.509
bonds (distance) P-C4' energy: -42.103
flat angles C4'-P-C4' energy: -56.531
flat angles P-C4'-P energy: -42.219
tors. eta vs tors. theta energy: -89.724
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: 4, replica: 8
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -884.434222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.434222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.434222 (E_RNA)
where:
Base-Base interactions energy: -614.026
where: short stacking energy: -278.788
Base-Backbone interact. energy: -0.839
local terms energy: -269.569204
where:
bonds (distance) C4'-P energy: -47.365
bonds (distance) P-C4' energy: -51.410
flat angles C4'-P-C4' energy: -53.729
flat angles P-C4'-P energy: -39.880
tors. eta vs tors. theta energy: -77.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -825.165584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.165584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.165584 (E_RNA)
where:
Base-Base interactions energy: -549.649
where: short stacking energy: -237.170
Base-Backbone interact. energy: 3.025
local terms energy: -278.541559
where:
bonds (distance) C4'-P energy: -47.687
bonds (distance) P-C4' energy: -55.641
flat angles C4'-P-C4' energy: -57.699
flat angles P-C4'-P energy: -44.341
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: 6, replica: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -758.146311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.146311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.146311 (E_RNA)
where:
Base-Base interactions energy: -501.570
where: short stacking energy: -208.026
Base-Backbone interact. energy: 0.844
local terms energy: -257.420950
where:
bonds (distance) C4'-P energy: -50.654
bonds (distance) P-C4' energy: -49.529
flat angles C4'-P-C4' energy: -57.632
flat angles P-C4'-P energy: -40.180
tors. eta vs tors. theta energy: -59.426
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: 400
Temperature: 1.200000
Total energy: -719.503943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.503943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.503943 (E_RNA)
where:
Base-Base interactions energy: -469.147
where: short stacking energy: -201.091
Base-Backbone interact. energy: -1.294
local terms energy: -249.062058
where:
bonds (distance) C4'-P energy: -48.314
bonds (distance) P-C4' energy: -53.942
flat angles C4'-P-C4' energy: -48.820
flat angles P-C4'-P energy: -40.669
tors. eta vs tors. theta energy: -57.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -492.018178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -492.018178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -492.018178 (E_RNA)
where:
Base-Base interactions energy: -298.109
where: short stacking energy: -136.705
Base-Backbone interact. energy: -1.112
local terms energy: -192.797755
where:
bonds (distance) C4'-P energy: -40.914
bonds (distance) P-C4' energy: -51.029
flat angles C4'-P-C4' energy: -44.693
flat angles P-C4'-P energy: -31.642
tors. eta vs tors. theta energy: -24.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -534.209327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -534.209327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -534.209327 (E_RNA)
where:
Base-Base interactions energy: -342.511
where: short stacking energy: -145.580
Base-Backbone interact. energy: -1.759
local terms energy: -189.939664
where:
bonds (distance) C4'-P energy: -43.418
bonds (distance) P-C4' energy: -53.157
flat angles C4'-P-C4' energy: -40.118
flat angles P-C4'-P energy: -26.513
tors. eta vs tors. theta energy: -26.733
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: 400
Temperature: 1.350000
Total energy: -377.364901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.364901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.364901 (E_RNA)
where:
Base-Base interactions energy: -210.510
where: short stacking energy: -123.601
Base-Backbone interact. energy: 1.698
local terms energy: -168.553583
where:
bonds (distance) C4'-P energy: -49.650
bonds (distance) P-C4' energy: -36.364
flat angles C4'-P-C4' energy: -37.949
flat angles P-C4'-P energy: -26.949
tors. eta vs tors. theta energy: -17.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1021.516666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.516666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.516666 (E_RNA)
where:
Base-Base interactions energy: -709.509
where: short stacking energy: -290.567
Base-Backbone interact. energy: -1.782
local terms energy: -310.225995
where:
bonds (distance) C4'-P energy: -52.277
bonds (distance) P-C4' energy: -58.689
flat angles C4'-P-C4' energy: -62.014
flat angles P-C4'-P energy: -46.579
tors. eta vs tors. theta energy: -90.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1027.042791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.042791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.042791 (E_RNA)
where:
Base-Base interactions energy: -712.072
where: short stacking energy: -310.854
Base-Backbone interact. energy: -2.187
local terms energy: -312.784119
where:
bonds (distance) C4'-P energy: -55.634
bonds (distance) P-C4' energy: -48.992
flat angles C4'-P-C4' energy: -64.577
flat angles P-C4'-P energy: -43.804
tors. eta vs tors. theta energy: -99.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1027.032766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.032766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.032766 (E_RNA)
where:
Base-Base interactions energy: -699.334
where: short stacking energy: -284.058
Base-Backbone interact. energy: -1.492
local terms energy: -326.207325
where:
bonds (distance) C4'-P energy: -62.818
bonds (distance) P-C4' energy: -55.316
flat angles C4'-P-C4' energy: -64.612
flat angles P-C4'-P energy: -45.965
tors. eta vs tors. theta energy: -97.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -891.191419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.191419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.191419 (E_RNA)
where:
Base-Base interactions energy: -607.843
where: short stacking energy: -261.106
Base-Backbone interact. energy: -2.121
local terms energy: -281.227289
where:
bonds (distance) C4'-P energy: -53.544
bonds (distance) P-C4' energy: -55.578
flat angles C4'-P-C4' energy: -59.739
flat angles P-C4'-P energy: -35.818
tors. eta vs tors. theta energy: -76.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -833.330122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.330122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.330122 (E_RNA)
where:
Base-Base interactions energy: -547.441
where: short stacking energy: -260.159
Base-Backbone interact. energy: -0.294
local terms energy: -285.594547
where:
bonds (distance) C4'-P energy: -63.014
bonds (distance) P-C4' energy: -43.772
flat angles C4'-P-C4' energy: -61.086
flat angles P-C4'-P energy: -37.990
tors. eta vs tors. theta energy: -79.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -817.381864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.381864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.381864 (E_RNA)
where:
Base-Base interactions energy: -552.383
where: short stacking energy: -238.346
Base-Backbone interact. energy: -0.304
local terms energy: -264.694730
where:
bonds (distance) C4'-P energy: -54.925
bonds (distance) P-C4' energy: -51.569
flat angles C4'-P-C4' energy: -58.442
flat angles P-C4'-P energy: -33.831
tors. eta vs tors. theta energy: -65.928
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: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -686.170971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.170971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.170971 (E_RNA)
where:
Base-Base interactions energy: -472.736
where: short stacking energy: -188.159
Base-Backbone interact. energy: -3.469
local terms energy: -209.965229
where:
bonds (distance) C4'-P energy: -47.931
bonds (distance) P-C4' energy: -45.445
flat angles C4'-P-C4' energy: -49.118
flat angles P-C4'-P energy: -22.129
tors. eta vs tors. theta energy: -45.342
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: 9
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -596.492707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.492707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.492707 (E_RNA)
where:
Base-Base interactions energy: -390.730
where: short stacking energy: -177.578
Base-Backbone interact. energy: -1.158
local terms energy: -204.604533
where:
bonds (distance) C4'-P energy: -44.006
bonds (distance) P-C4' energy: -48.823
flat angles C4'-P-C4' energy: -54.594
flat angles P-C4'-P energy: -22.957
tors. eta vs tors. theta energy: -34.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -502.858203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -502.858203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -502.858203 (E_RNA)
where:
Base-Base interactions energy: -311.356
where: short stacking energy: -159.264
Base-Backbone interact. energy: -0.975
local terms energy: -190.527245
where:
bonds (distance) C4'-P energy: -40.053
bonds (distance) P-C4' energy: -42.524
flat angles C4'-P-C4' energy: -54.834
flat angles P-C4'-P energy: -23.754
tors. eta vs tors. theta energy: -29.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -344.776038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.776038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.776038 (E_RNA)
where:
Base-Base interactions energy: -168.971
where: short stacking energy: -72.895
Base-Backbone interact. energy: -1.641
local terms energy: -174.163732
where:
bonds (distance) C4'-P energy: -49.014
bonds (distance) P-C4' energy: -57.557
flat angles C4'-P-C4' energy: -42.109
flat angles P-C4'-P energy: -23.912
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1027.820040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.820040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.820040 (E_RNA)
where:
Base-Base interactions energy: -718.274
where: short stacking energy: -302.958
Base-Backbone interact. energy: 0.016
local terms energy: -309.562470
where:
bonds (distance) C4'-P energy: -59.177
bonds (distance) P-C4' energy: -59.083
flat angles C4'-P-C4' energy: -61.590
flat angles P-C4'-P energy: -37.489
tors. eta vs tors. theta energy: -92.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1001.657475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.657475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.657475 (E_RNA)
where:
Base-Base interactions energy: -708.353
where: short stacking energy: -304.303
Base-Backbone interact. energy: -0.962
local terms energy: -292.343323
where:
bonds (distance) C4'-P energy: -51.320
bonds (distance) P-C4' energy: -48.927
flat angles C4'-P-C4' energy: -57.611
flat angles P-C4'-P energy: -42.132
tors. eta vs tors. theta energy: -92.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -975.778263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.778263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.778263 (E_RNA)
where:
Base-Base interactions energy: -664.927
where: short stacking energy: -286.012
Base-Backbone interact. energy: -1.357
local terms energy: -309.494578
where:
bonds (distance) C4'-P energy: -64.173
bonds (distance) P-C4' energy: -57.619
flat angles C4'-P-C4' energy: -61.091
flat angles P-C4'-P energy: -38.582
tors. eta vs tors. theta energy: -88.031
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: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -993.912699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.912699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.912699 (E_RNA)
where:
Base-Base interactions energy: -705.752
where: short stacking energy: -286.486
Base-Backbone interact. energy: -1.091
local terms energy: -287.070430
where:
bonds (distance) C4'-P energy: -46.203
bonds (distance) P-C4' energy: -52.986
flat angles C4'-P-C4' energy: -58.042
flat angles P-C4'-P energy: -41.291
tors. eta vs tors. theta energy: -88.549
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: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -853.253655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.253655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.253655 (E_RNA)
where:
Base-Base interactions energy: -576.812
where: short stacking energy: -266.141
Base-Backbone interact. energy: -0.976
local terms energy: -275.465872
where:
bonds (distance) C4'-P energy: -40.972
bonds (distance) P-C4' energy: -55.769
flat angles C4'-P-C4' energy: -61.222
flat angles P-C4'-P energy: -35.055
tors. eta vs tors. theta energy: -82.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -820.830551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.830551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.830551 (E_RNA)
where:
Base-Base interactions energy: -562.018
where: short stacking energy: -242.664
Base-Backbone interact. energy: -0.867
local terms energy: -257.945608
where:
bonds (distance) C4'-P energy: -35.299
bonds (distance) P-C4' energy: -45.146
flat angles C4'-P-C4' energy: -53.569
flat angles P-C4'-P energy: -40.862
tors. eta vs tors. theta energy: -83.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -686.899846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.899846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.899846 (E_RNA)
where:
Base-Base interactions energy: -448.350
where: short stacking energy: -191.024
Base-Backbone interact. energy: -1.548
local terms energy: -237.001489
where:
bonds (distance) C4'-P energy: -57.431
bonds (distance) P-C4' energy: -58.126
flat angles C4'-P-C4' energy: -52.539
flat angles P-C4'-P energy: -23.317
tors. eta vs tors. theta energy: -45.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -611.883996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -611.883996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -611.883996 (E_RNA)
where:
Base-Base interactions energy: -385.467
where: short stacking energy: -177.738
Base-Backbone interact. energy: -0.746
local terms energy: -225.671211
where:
bonds (distance) C4'-P energy: -47.810
bonds (distance) P-C4' energy: -45.574
flat angles C4'-P-C4' energy: -59.246
flat angles P-C4'-P energy: -36.135
tors. eta vs tors. theta energy: -36.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -503.349056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -503.349056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -503.349056 (E_RNA)
where:
Base-Base interactions energy: -315.466
where: short stacking energy: -134.550
Base-Backbone interact. energy: -0.761
local terms energy: -187.122308
where:
bonds (distance) C4'-P energy: -53.503
bonds (distance) P-C4' energy: -30.570
flat angles C4'-P-C4' energy: -45.462
flat angles P-C4'-P energy: -28.232
tors. eta vs tors. theta energy: -29.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -359.800829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.800829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.800829 (E_RNA)
where:
Base-Base interactions energy: -203.298
where: short stacking energy: -95.157
Base-Backbone interact. energy: -1.358
local terms energy: -155.143981
where:
bonds (distance) C4'-P energy: -53.620
bonds (distance) P-C4' energy: -49.366
flat angles C4'-P-C4' energy: -31.354
flat angles P-C4'-P energy: -26.845
tors. eta vs tors. theta energy: 6.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1035.825611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.825611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.825611 (E_RNA)
where:
Base-Base interactions energy: -728.789
where: short stacking energy: -308.654
Base-Backbone interact. energy: -1.136
local terms energy: -305.900762
where:
bonds (distance) C4'-P energy: -53.426
bonds (distance) P-C4' energy: -56.291
flat angles C4'-P-C4' energy: -66.558
flat angles P-C4'-P energy: -37.238
tors. eta vs tors. theta energy: -92.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -987.005956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.005956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.005956 (E_RNA)
where:
Base-Base interactions energy: -686.331
where: short stacking energy: -293.006
Base-Backbone interact. energy: -0.914
local terms energy: -299.760439
where:
bonds (distance) C4'-P energy: -48.153
bonds (distance) P-C4' energy: -63.137
flat angles C4'-P-C4' energy: -59.258
flat angles P-C4'-P energy: -35.226
tors. eta vs tors. theta energy: -93.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -958.299337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.299337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.299337 (E_RNA)
where:
Base-Base interactions energy: -659.369
where: short stacking energy: -285.137
Base-Backbone interact. energy: 1.235
local terms energy: -300.165796
where:
bonds (distance) C4'-P energy: -58.963
bonds (distance) P-C4' energy: -55.254
flat angles C4'-P-C4' energy: -60.406
flat angles P-C4'-P energy: -36.091
tors. eta vs tors. theta energy: -89.452
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: 4, replica: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -997.834285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.834285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.834285 (E_RNA)
where:
Base-Base interactions energy: -698.034
where: short stacking energy: -295.325
Base-Backbone interact. energy: -1.327
local terms energy: -298.473719
where:
bonds (distance) C4'-P energy: -53.248
bonds (distance) P-C4' energy: -55.658
flat angles C4'-P-C4' energy: -64.071
flat angles P-C4'-P energy: -30.535
tors. eta vs tors. theta energy: -94.962
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: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -841.560978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.560978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.560978 (E_RNA)
where:
Base-Base interactions energy: -558.571
where: short stacking energy: -264.283
Base-Backbone interact. energy: -1.210
local terms energy: -281.780687
where:
bonds (distance) C4'-P energy: -53.367
bonds (distance) P-C4' energy: -51.356
flat angles C4'-P-C4' energy: -55.412
flat angles P-C4'-P energy: -43.574
tors. eta vs tors. theta energy: -78.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -773.250149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.250149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.250149 (E_RNA)
where:
Base-Base interactions energy: -534.175
where: short stacking energy: -235.281
Base-Backbone interact. energy: -0.682
local terms energy: -238.392719
where:
bonds (distance) C4'-P energy: -37.442
bonds (distance) P-C4' energy: -52.376
flat angles C4'-P-C4' energy: -63.682
flat angles P-C4'-P energy: -20.979
tors. eta vs tors. theta energy: -63.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -694.121546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.121546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.121546 (E_RNA)
where:
Base-Base interactions energy: -471.409
where: short stacking energy: -193.789
Base-Backbone interact. energy: -0.848
local terms energy: -221.864740
where:
bonds (distance) C4'-P energy: -51.649
bonds (distance) P-C4' energy: -51.245
flat angles C4'-P-C4' energy: -40.104
flat angles P-C4'-P energy: -32.762
tors. eta vs tors. theta energy: -46.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -619.595950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.595950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.595950 (E_RNA)
where:
Base-Base interactions energy: -412.540
where: short stacking energy: -184.533
Base-Backbone interact. energy: -1.189
local terms energy: -205.867327
where:
bonds (distance) C4'-P energy: -35.231
bonds (distance) P-C4' energy: -49.155
flat angles C4'-P-C4' energy: -50.986
flat angles P-C4'-P energy: -30.707
tors. eta vs tors. theta energy: -39.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -442.195440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -442.195440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -442.195440 (E_RNA)
where:
Base-Base interactions energy: -253.832
where: short stacking energy: -106.841
Base-Backbone interact. energy: 2.474
local terms energy: -190.837098
where:
bonds (distance) C4'-P energy: -53.402
bonds (distance) P-C4' energy: -49.665
flat angles C4'-P-C4' energy: -41.741
flat angles P-C4'-P energy: -38.874
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -344.678100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.678100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.678100 (E_RNA)
where:
Base-Base interactions energy: -168.600
where: short stacking energy: -103.886
Base-Backbone interact. energy: 4.664
local terms energy: -180.742410
where:
bonds (distance) C4'-P energy: -46.330
bonds (distance) P-C4' energy: -48.616
flat angles C4'-P-C4' energy: -54.169
flat angles P-C4'-P energy: -27.545
tors. eta vs tors. theta energy: -4.082
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: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1020.404915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.404915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.404915 (E_RNA)
where:
Base-Base interactions energy: -710.470
where: short stacking energy: -304.014
Base-Backbone interact. energy: 0.189
local terms energy: -310.124231
where:
bonds (distance) C4'-P energy: -59.049
bonds (distance) P-C4' energy: -55.782
flat angles C4'-P-C4' energy: -63.742
flat angles P-C4'-P energy: -36.451
tors. eta vs tors. theta energy: -95.101
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: 4
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1014.480434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.480434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.480434 (E_RNA)
where:
Base-Base interactions energy: -696.700
where: short stacking energy: -309.228
Base-Backbone interact. energy: -0.589
local terms energy: -317.190760
where:
bonds (distance) C4'-P energy: -53.931
bonds (distance) P-C4' energy: -49.989
flat angles C4'-P-C4' energy: -64.704
flat angles P-C4'-P energy: -50.095
tors. eta vs tors. theta energy: -98.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -991.723642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.723642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.723642 (E_RNA)
where:
Base-Base interactions energy: -689.945
where: short stacking energy: -292.632
Base-Backbone interact. energy: -1.978
local terms energy: -299.800922
where:
bonds (distance) C4'-P energy: -48.685
bonds (distance) P-C4' energy: -53.669
flat angles C4'-P-C4' energy: -57.575
flat angles P-C4'-P energy: -46.779
tors. eta vs tors. theta energy: -93.093
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: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -947.869666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.869666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.869666 (E_RNA)
where:
Base-Base interactions energy: -643.351
where: short stacking energy: -291.898
Base-Backbone interact. energy: -1.320
local terms energy: -303.198495
where:
bonds (distance) C4'-P energy: -56.865
bonds (distance) P-C4' energy: -52.406
flat angles C4'-P-C4' energy: -62.428
flat angles P-C4'-P energy: -40.650
tors. eta vs tors. theta energy: -90.851
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: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -856.200125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.200125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.200125 (E_RNA)
where:
Base-Base interactions energy: -564.191
where: short stacking energy: -275.218
Base-Backbone interact. energy: -0.732
local terms energy: -291.276856
where:
bonds (distance) C4'-P energy: -53.956
bonds (distance) P-C4' energy: -59.105
flat angles C4'-P-C4' energy: -61.938
flat angles P-C4'-P energy: -43.180
tors. eta vs tors. theta energy: -73.098
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: 404
Temperature: 1.150000
Total energy: -767.525682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.525682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.525682 (E_RNA)
where:
Base-Base interactions energy: -508.936
where: short stacking energy: -222.143
Base-Backbone interact. energy: -1.267
local terms energy: -257.322177
where:
bonds (distance) C4'-P energy: -52.974
bonds (distance) P-C4' energy: -52.513
flat angles C4'-P-C4' energy: -43.639
flat angles P-C4'-P energy: -44.151
tors. eta vs tors. theta energy: -64.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -686.925559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.925559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.925559 (E_RNA)
where:
Base-Base interactions energy: -435.442
where: short stacking energy: -187.139
Base-Backbone interact. energy: 0.550
local terms energy: -252.033732
where:
bonds (distance) C4'-P energy: -53.470
bonds (distance) P-C4' energy: -58.926
flat angles C4'-P-C4' energy: -55.158
flat angles P-C4'-P energy: -37.697
tors. eta vs tors. theta energy: -46.782
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: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -605.751816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -605.751816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -605.751816 (E_RNA)
where:
Base-Base interactions energy: -378.599
where: short stacking energy: -167.949
Base-Backbone interact. energy: -0.411
local terms energy: -226.741356
where:
bonds (distance) C4'-P energy: -51.229
bonds (distance) P-C4' energy: -51.197
flat angles C4'-P-C4' energy: -52.195
flat angles P-C4'-P energy: -28.671
tors. eta vs tors. theta energy: -43.449
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: 6
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -458.547815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -458.547815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -458.547815 (E_RNA)
where:
Base-Base interactions energy: -276.939
where: short stacking energy: -144.910
Base-Backbone interact. energy: -1.460
local terms energy: -180.148366
where:
bonds (distance) C4'-P energy: -37.397
bonds (distance) P-C4' energy: -51.349
flat angles C4'-P-C4' energy: -44.278
flat angles P-C4'-P energy: -27.206
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -355.104022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -355.104022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -355.104022 (E_RNA)
where:
Base-Base interactions energy: -186.605
where: short stacking energy: -97.946
Base-Backbone interact. energy: 6.487
local terms energy: -174.985779
where:
bonds (distance) C4'-P energy: -42.342
bonds (distance) P-C4' energy: -57.840
flat angles C4'-P-C4' energy: -47.590
flat angles P-C4'-P energy: -23.273
tors. eta vs tors. theta energy: -3.941
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: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1015.685308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.685308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.685308 (E_RNA)
where:
Base-Base interactions energy: -710.450
where: short stacking energy: -295.538
Base-Backbone interact. energy: -1.944
local terms energy: -303.291196
where:
bonds (distance) C4'-P energy: -63.895
bonds (distance) P-C4' energy: -57.419
flat angles C4'-P-C4' energy: -58.098
flat angles P-C4'-P energy: -41.825
tors. eta vs tors. theta energy: -82.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1024.544214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.544214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.544214 (E_RNA)
where:
Base-Base interactions energy: -708.961
where: short stacking energy: -296.431
Base-Backbone interact. energy: -1.022
local terms energy: -314.561037
where:
bonds (distance) C4'-P energy: -49.480
bonds (distance) P-C4' energy: -61.873
flat angles C4'-P-C4' energy: -65.660
flat angles P-C4'-P energy: -42.669
tors. eta vs tors. theta energy: -94.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -997.238621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.238621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.238621 (E_RNA)
where:
Base-Base interactions energy: -697.793
where: short stacking energy: -290.978
Base-Backbone interact. energy: -2.299
local terms energy: -297.147001
where:
bonds (distance) C4'-P energy: -46.223
bonds (distance) P-C4' energy: -48.678
flat angles C4'-P-C4' energy: -63.905
flat angles P-C4'-P energy: -44.168
tors. eta vs tors. theta energy: -94.173
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: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -917.217274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.217274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.217274 (E_RNA)
where:
Base-Base interactions energy: -624.111
where: short stacking energy: -285.913
Base-Backbone interact. energy: -3.933
local terms energy: -289.173445
where:
bonds (distance) C4'-P energy: -55.258
bonds (distance) P-C4' energy: -44.672
flat angles C4'-P-C4' energy: -62.937
flat angles P-C4'-P energy: -37.244
tors. eta vs tors. theta energy: -89.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -833.886050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.886050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.886050 (E_RNA)
where:
Base-Base interactions energy: -552.224
where: short stacking energy: -269.942
Base-Backbone interact. energy: -0.313
local terms energy: -281.348374
where:
bonds (distance) C4'-P energy: -55.427
bonds (distance) P-C4' energy: -50.941
flat angles C4'-P-C4' energy: -61.494
flat angles P-C4'-P energy: -34.128
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: 6, replica: 5
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -784.924983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.924983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.924983 (E_RNA)
where:
Base-Base interactions energy: -532.257
where: short stacking energy: -220.327
Base-Backbone interact. energy: -2.408
local terms energy: -250.259458
where:
bonds (distance) C4'-P energy: -41.819
bonds (distance) P-C4' energy: -55.454
flat angles C4'-P-C4' energy: -65.507
flat angles P-C4'-P energy: -36.703
tors. eta vs tors. theta energy: -50.776
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: 405
Temperature: 1.200000
Total energy: -683.189132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.189132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.189132 (E_RNA)
where:
Base-Base interactions energy: -452.494
where: short stacking energy: -203.180
Base-Backbone interact. energy: -1.431
local terms energy: -229.263675
where:
bonds (distance) C4'-P energy: -48.001
bonds (distance) P-C4' energy: -49.112
flat angles C4'-P-C4' energy: -47.723
flat angles P-C4'-P energy: -29.741
tors. eta vs tors. theta energy: -54.688
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: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -578.197808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -578.197808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -578.197808 (E_RNA)
where:
Base-Base interactions energy: -381.409
where: short stacking energy: -160.418
Base-Backbone interact. energy: -0.861
local terms energy: -195.928043
where:
bonds (distance) C4'-P energy: -50.240
bonds (distance) P-C4' energy: -47.143
flat angles C4'-P-C4' energy: -47.029
flat angles P-C4'-P energy: -28.126
tors. eta vs tors. theta energy: -23.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -441.612011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.612011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.612011 (E_RNA)
where:
Base-Base interactions energy: -254.706
where: short stacking energy: -113.851
Base-Backbone interact. energy: -1.817
local terms energy: -185.088134
where:
bonds (distance) C4'-P energy: -45.746
bonds (distance) P-C4' energy: -48.739
flat angles C4'-P-C4' energy: -39.409
flat angles P-C4'-P energy: -28.108
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -377.558893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.558893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.558893 (E_RNA)
where:
Base-Base interactions energy: -207.544
where: short stacking energy: -113.304
Base-Backbone interact. energy: -1.272
local terms energy: -168.743234
where:
bonds (distance) C4'-P energy: -39.198
bonds (distance) P-C4' energy: -51.087
flat angles C4'-P-C4' energy: -40.278
flat angles P-C4'-P energy: -31.798
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1046.343623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.343623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.343623 (E_RNA)
where:
Base-Base interactions energy: -721.285
where: short stacking energy: -314.545
Base-Backbone interact. energy: -2.408
local terms energy: -322.650395
where:
bonds (distance) C4'-P energy: -57.755
bonds (distance) P-C4' energy: -60.131
flat angles C4'-P-C4' energy: -67.081
flat angles P-C4'-P energy: -43.303
tors. eta vs tors. theta energy: -94.381
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: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1012.526946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.526946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.526946 (E_RNA)
where:
Base-Base interactions energy: -709.879
where: short stacking energy: -300.964
Base-Backbone interact. energy: -1.312
local terms energy: -301.335976
where:
bonds (distance) C4'-P energy: -57.907
bonds (distance) P-C4' energy: -47.938
flat angles C4'-P-C4' energy: -61.463
flat angles P-C4'-P energy: -41.600
tors. eta vs tors. theta energy: -92.428
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: 4
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -965.371802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.371802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.371802 (E_RNA)
where:
Base-Base interactions energy: -650.903
where: short stacking energy: -278.617
Base-Backbone interact. energy: -2.200
local terms energy: -312.268676
where:
bonds (distance) C4'-P energy: -51.065
bonds (distance) P-C4' energy: -58.947
flat angles C4'-P-C4' energy: -63.198
flat angles P-C4'-P energy: -42.900
tors. eta vs tors. theta energy: -96.158
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: 4, replica: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -912.403385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.403385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.403385 (E_RNA)
where:
Base-Base interactions energy: -623.582
where: short stacking energy: -280.281
Base-Backbone interact. energy: -1.024
local terms energy: -287.797450
where:
bonds (distance) C4'-P energy: -55.902
bonds (distance) P-C4' energy: -61.337
flat angles C4'-P-C4' energy: -51.463
flat angles P-C4'-P energy: -32.179
tors. eta vs tors. theta energy: -86.916
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: 2
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -827.211742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.211742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.211742 (E_RNA)
where:
Base-Base interactions energy: -545.275
where: short stacking energy: -252.540
Base-Backbone interact. energy: -0.973
local terms energy: -280.964429
where:
bonds (distance) C4'-P energy: -55.886
bonds (distance) P-C4' energy: -50.937
flat angles C4'-P-C4' energy: -54.316
flat angles P-C4'-P energy: -43.851
tors. eta vs tors. theta energy: -75.975
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: 5
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -761.797481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.797481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.797481 (E_RNA)
where:
Base-Base interactions energy: -521.217
where: short stacking energy: -221.137
Base-Backbone interact. energy: 1.839
local terms energy: -242.420045
where:
bonds (distance) C4'-P energy: -51.586
bonds (distance) P-C4' energy: -46.695
flat angles C4'-P-C4' energy: -51.270
flat angles P-C4'-P energy: -33.709
tors. eta vs tors. theta energy: -59.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -680.241464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.241464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.241464 (E_RNA)
where:
Base-Base interactions energy: -457.174
where: short stacking energy: -208.902
Base-Backbone interact. energy: 2.584
local terms energy: -225.651546
where:
bonds (distance) C4'-P energy: -41.261
bonds (distance) P-C4' energy: -53.972
flat angles C4'-P-C4' energy: -44.936
flat angles P-C4'-P energy: -30.295
tors. eta vs tors. theta energy: -55.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -573.415084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.415084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.415084 (E_RNA)
where:
Base-Base interactions energy: -365.866
where: short stacking energy: -166.395
Base-Backbone interact. energy: 0.177
local terms energy: -207.725911
where:
bonds (distance) C4'-P energy: -36.881
bonds (distance) P-C4' energy: -49.865
flat angles C4'-P-C4' energy: -51.722
flat angles P-C4'-P energy: -30.983
tors. eta vs tors. theta energy: -38.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -487.092456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -487.092456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -487.092456 (E_RNA)
where:
Base-Base interactions energy: -282.424
where: short stacking energy: -138.555
Base-Backbone interact. energy: -0.881
local terms energy: -203.787430
where:
bonds (distance) C4'-P energy: -53.139
bonds (distance) P-C4' energy: -46.924
flat angles C4'-P-C4' energy: -52.216
flat angles P-C4'-P energy: -27.570
tors. eta vs tors. theta energy: -23.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -424.454572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -424.454572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -424.454572 (E_RNA)
where:
Base-Base interactions energy: -241.759
where: short stacking energy: -134.826
Base-Backbone interact. energy: -0.291
local terms energy: -182.404403
where:
bonds (distance) C4'-P energy: -50.113
bonds (distance) P-C4' energy: -45.973
flat angles C4'-P-C4' energy: -54.439
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1053.911833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.911833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.911833 (E_RNA)
where:
Base-Base interactions energy: -732.120
where: short stacking energy: -313.837
Base-Backbone interact. energy: -1.546
local terms energy: -320.245688
where:
bonds (distance) C4'-P energy: -62.452
bonds (distance) P-C4' energy: -52.163
flat angles C4'-P-C4' energy: -67.490
flat angles P-C4'-P energy: -44.121
tors. eta vs tors. theta energy: -94.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -1015.499552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.499552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.499552 (E_RNA)
where:
Base-Base interactions energy: -697.374
where: short stacking energy: -297.664
Base-Backbone interact. energy: -1.138
local terms energy: -316.988039
where:
bonds (distance) C4'-P energy: -58.423
bonds (distance) P-C4' energy: -60.306
flat angles C4'-P-C4' energy: -68.301
flat angles P-C4'-P energy: -35.660
tors. eta vs tors. theta energy: -94.298
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: 3, replica: 4
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -967.461333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.461333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.461333 (E_RNA)
where:
Base-Base interactions energy: -674.324
where: short stacking energy: -281.185
Base-Backbone interact. energy: -0.859
local terms energy: -292.278378
where:
bonds (distance) C4'-P energy: -58.095
bonds (distance) P-C4' energy: -49.942
flat angles C4'-P-C4' energy: -61.521
flat angles P-C4'-P energy: -40.891
tors. eta vs tors. theta energy: -81.830
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: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -886.006006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.006006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.006006 (E_RNA)
where:
Base-Base interactions energy: -603.065
where: short stacking energy: -272.268
Base-Backbone interact. energy: -1.312
local terms energy: -281.628921
where:
bonds (distance) C4'-P energy: -50.184
bonds (distance) P-C4' energy: -51.755
flat angles C4'-P-C4' energy: -61.037
flat angles P-C4'-P energy: -34.498
tors. eta vs tors. theta energy: -84.155
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: 2
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -791.653659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.653659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.653659 (E_RNA)
where:
Base-Base interactions energy: -521.282
where: short stacking energy: -235.243
Base-Backbone interact. energy: -0.764
local terms energy: -269.607847
where:
bonds (distance) C4'-P energy: -49.091
bonds (distance) P-C4' energy: -49.253
flat angles C4'-P-C4' energy: -61.507
flat angles P-C4'-P energy: -41.326
tors. eta vs tors. theta energy: -68.431
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: 407
Temperature: 1.150000
Total energy: -781.116306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.116306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.116306 (E_RNA)
where:
Base-Base interactions energy: -526.102
where: short stacking energy: -236.075
Base-Backbone interact. energy: -1.566
local terms energy: -253.447944
where:
bonds (distance) C4'-P energy: -40.444
bonds (distance) P-C4' energy: -53.342
flat angles C4'-P-C4' energy: -55.746
flat angles P-C4'-P energy: -38.829
tors. eta vs tors. theta energy: -65.086
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: 407
Temperature: 1.200000
Total energy: -732.785203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.785203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.785203 (E_RNA)
where:
Base-Base interactions energy: -485.937
where: short stacking energy: -220.819
Base-Backbone interact. energy: -0.271
local terms energy: -246.577223
where:
bonds (distance) C4'-P energy: -43.621
bonds (distance) P-C4' energy: -50.294
flat angles C4'-P-C4' energy: -58.641
flat angles P-C4'-P energy: -37.096
tors. eta vs tors. theta energy: -56.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -584.011867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -584.011867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -584.011867 (E_RNA)
where:
Base-Base interactions energy: -362.593
where: short stacking energy: -176.273
Base-Backbone interact. energy: -0.584
local terms energy: -220.834740
where:
bonds (distance) C4'-P energy: -49.250
bonds (distance) P-C4' energy: -39.306
flat angles C4'-P-C4' energy: -50.750
flat angles P-C4'-P energy: -35.621
tors. eta vs tors. theta energy: -45.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -478.613399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -478.613399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -478.613399 (E_RNA)
where:
Base-Base interactions energy: -273.472
where: short stacking energy: -138.145
Base-Backbone interact. energy: 0.446
local terms energy: -205.587905
where:
bonds (distance) C4'-P energy: -50.309
bonds (distance) P-C4' energy: -57.208
flat angles C4'-P-C4' energy: -55.765
flat angles P-C4'-P energy: -20.789
tors. eta vs tors. theta energy: -21.518
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: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -331.306832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -331.306832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -331.306832 (E_RNA)
where:
Base-Base interactions energy: -169.093
where: short stacking energy: -100.214
Base-Backbone interact. energy: 2.117
local terms energy: -164.330702
where:
bonds (distance) C4'-P energy: -51.081
bonds (distance) P-C4' energy: -51.450
flat angles C4'-P-C4' energy: -38.661
flat angles P-C4'-P energy: -20.908
tors. eta vs tors. theta energy: -2.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -1057.691078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.691078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.691078 (E_RNA)
where:
Base-Base interactions energy: -727.873
where: short stacking energy: -300.971
Base-Backbone interact. energy: -3.041
local terms energy: -326.776435
where:
bonds (distance) C4'-P energy: -59.098
bonds (distance) P-C4' energy: -53.125
flat angles C4'-P-C4' energy: -67.597
flat angles P-C4'-P energy: -48.963
tors. eta vs tors. theta energy: -97.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -996.814969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -996.814969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -996.814969 (E_RNA)
where:
Base-Base interactions energy: -702.552
where: short stacking energy: -282.068
Base-Backbone interact. energy: -1.541
local terms energy: -292.722415
where:
bonds (distance) C4'-P energy: -54.091
bonds (distance) P-C4' energy: -50.044
flat angles C4'-P-C4' energy: -59.225
flat angles P-C4'-P energy: -40.402
tors. eta vs tors. theta energy: -88.961
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: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -931.689684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.689684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.689684 (E_RNA)
where:
Base-Base interactions energy: -644.592
where: short stacking energy: -278.112
Base-Backbone interact. energy: -0.466
local terms energy: -286.632303
where:
bonds (distance) C4'-P energy: -53.037
bonds (distance) P-C4' energy: -47.053
flat angles C4'-P-C4' energy: -60.995
flat angles P-C4'-P energy: -41.298
tors. eta vs tors. theta energy: -84.248
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: 8
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -899.444750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.444750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.444750 (E_RNA)
where:
Base-Base interactions energy: -615.860
where: short stacking energy: -280.846
Base-Backbone interact. energy: 1.805
local terms energy: -285.389787
where:
bonds (distance) C4'-P energy: -44.362
bonds (distance) P-C4' energy: -63.423
flat angles C4'-P-C4' energy: -55.573
flat angles P-C4'-P energy: -42.435
tors. eta vs tors. theta energy: -79.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -776.607566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.607566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.607566 (E_RNA)
where:
Base-Base interactions energy: -514.291
where: short stacking energy: -230.484
Base-Backbone interact. energy: 1.497
local terms energy: -263.813365
where:
bonds (distance) C4'-P energy: -55.298
bonds (distance) P-C4' energy: -51.981
flat angles C4'-P-C4' energy: -57.642
flat angles P-C4'-P energy: -37.068
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: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -771.971507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.971507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.971507 (E_RNA)
where:
Base-Base interactions energy: -511.521
where: short stacking energy: -234.740
Base-Backbone interact. energy: -0.006
local terms energy: -260.444320
where:
bonds (distance) C4'-P energy: -46.701
bonds (distance) P-C4' energy: -62.135
flat angles C4'-P-C4' energy: -56.931
flat angles P-C4'-P energy: -32.562
tors. eta vs tors. theta energy: -62.115
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: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -719.029448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.029448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.029448 (E_RNA)
where:
Base-Base interactions energy: -453.683
where: short stacking energy: -198.013
Base-Backbone interact. energy: -0.940
local terms energy: -264.407207
where:
bonds (distance) C4'-P energy: -57.172
bonds (distance) P-C4' energy: -51.867
flat angles C4'-P-C4' energy: -56.329
flat angles P-C4'-P energy: -43.622
tors. eta vs tors. theta energy: -55.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -613.461044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.461044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.461044 (E_RNA)
where:
Base-Base interactions energy: -394.106
where: short stacking energy: -187.219
Base-Backbone interact. energy: -0.733
local terms energy: -218.621734
where:
bonds (distance) C4'-P energy: -53.372
bonds (distance) P-C4' energy: -38.582
flat angles C4'-P-C4' energy: -47.665
flat angles P-C4'-P energy: -38.716
tors. eta vs tors. theta energy: -40.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -443.917917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -443.917917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -443.917917 (E_RNA)
where:
Base-Base interactions energy: -278.586
where: short stacking energy: -132.310
Base-Backbone interact. energy: -1.766
local terms energy: -163.565366
where:
bonds (distance) C4'-P energy: -33.622
bonds (distance) P-C4' energy: -33.344
flat angles C4'-P-C4' energy: -46.846
flat angles P-C4'-P energy: -35.210
tors. eta vs tors. theta energy: -14.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -377.973377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -377.973377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -377.973377 (E_RNA)
where:
Base-Base interactions energy: -204.829
where: short stacking energy: -126.710
Base-Backbone interact. energy: 0.887
local terms energy: -174.031281
where:
bonds (distance) C4'-P energy: -47.276
bonds (distance) P-C4' energy: -55.737
flat angles C4'-P-C4' energy: -34.357
flat angles P-C4'-P energy: -28.207
tors. eta vs tors. theta energy: -8.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -1049.624707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.624707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.624707 (E_RNA)
where:
Base-Base interactions energy: -720.733
where: short stacking energy: -297.299
Base-Backbone interact. energy: -1.048
local terms energy: -327.843540
where:
bonds (distance) C4'-P energy: -58.769
bonds (distance) P-C4' energy: -53.822
flat angles C4'-P-C4' energy: -63.874
flat angles P-C4'-P energy: -49.401
tors. eta vs tors. theta energy: -101.977
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: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1008.091863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.091863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.091863 (E_RNA)
where:
Base-Base interactions energy: -699.339
where: short stacking energy: -304.449
Base-Backbone interact. energy: 1.812
local terms energy: -310.564780
where:
bonds (distance) C4'-P energy: -58.315
bonds (distance) P-C4' energy: -54.383
flat angles C4'-P-C4' energy: -56.821
flat angles P-C4'-P energy: -47.732
tors. eta vs tors. theta energy: -93.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -987.691257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.691257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.691257 (E_RNA)
where:
Base-Base interactions energy: -668.355
where: short stacking energy: -290.177
Base-Backbone interact. energy: -1.364
local terms energy: -317.972437
where:
bonds (distance) C4'-P energy: -57.105
bonds (distance) P-C4' energy: -54.878
flat angles C4'-P-C4' energy: -62.980
flat angles P-C4'-P energy: -46.773
tors. eta vs tors. theta energy: -96.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -894.658327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.658327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.658327 (E_RNA)
where:
Base-Base interactions energy: -612.817
where: short stacking energy: -271.617
Base-Backbone interact. energy: -2.617
local terms energy: -279.224126
where:
bonds (distance) C4'-P energy: -41.658
bonds (distance) P-C4' energy: -63.351
flat angles C4'-P-C4' energy: -52.835
flat angles P-C4'-P energy: -44.898
tors. eta vs tors. theta energy: -76.483
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: 2
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -816.801860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.801860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.801860 (E_RNA)
where:
Base-Base interactions energy: -549.779
where: short stacking energy: -258.442
Base-Backbone interact. energy: -0.255
local terms energy: -266.767653
where:
bonds (distance) C4'-P energy: -33.083
bonds (distance) P-C4' energy: -53.935
flat angles C4'-P-C4' energy: -65.530
flat angles P-C4'-P energy: -36.315
tors. eta vs tors. theta energy: -77.906
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: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -781.871622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.871622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.871622 (E_RNA)
where:
Base-Base interactions energy: -532.227
where: short stacking energy: -234.973
Base-Backbone interact. energy: -0.556
local terms energy: -249.089123
where:
bonds (distance) C4'-P energy: -39.010
bonds (distance) P-C4' energy: -46.533
flat angles C4'-P-C4' energy: -56.892
flat angles P-C4'-P energy: -39.288
tors. eta vs tors. theta energy: -67.366
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: 409
Temperature: 1.200000
Total energy: -686.496836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.496836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.496836 (E_RNA)
where:
Base-Base interactions energy: -443.132
where: short stacking energy: -197.803
Base-Backbone interact. energy: -0.871
local terms energy: -242.494726
where:
bonds (distance) C4'-P energy: -42.845
bonds (distance) P-C4' energy: -50.010
flat angles C4'-P-C4' energy: -52.378
flat angles P-C4'-P energy: -44.868
tors. eta vs tors. theta energy: -52.394
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: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -590.454210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.454210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.454210 (E_RNA)
where:
Base-Base interactions energy: -376.479
where: short stacking energy: -178.288
Base-Backbone interact. energy: 0.527
local terms energy: -214.502613
where:
bonds (distance) C4'-P energy: -46.823
bonds (distance) P-C4' energy: -54.418
flat angles C4'-P-C4' energy: -44.106
flat angles P-C4'-P energy: -29.784
tors. eta vs tors. theta energy: -39.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -459.568404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.568404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.568404 (E_RNA)
where:
Base-Base interactions energy: -263.490
where: short stacking energy: -133.175
Base-Backbone interact. energy: -2.859
local terms energy: -193.219586
where:
bonds (distance) C4'-P energy: -44.644
bonds (distance) P-C4' energy: -52.429
flat angles C4'-P-C4' energy: -50.686
flat angles P-C4'-P energy: -25.799
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -352.036666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.036666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.036666 (E_RNA)
where:
Base-Base interactions energy: -191.998
where: short stacking energy: -120.108
Base-Backbone interact. energy: 0.020
local terms energy: -160.058582
where:
bonds (distance) C4'-P energy: -45.788
bonds (distance) P-C4' energy: -29.883
flat angles C4'-P-C4' energy: -46.860
flat angles P-C4'-P energy: -20.507
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1052.421647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.421647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.421647 (E_RNA)
where:
Base-Base interactions energy: -730.081
where: short stacking energy: -302.922
Base-Backbone interact. energy: -1.499
local terms energy: -320.842251
where:
bonds (distance) C4'-P energy: -57.038
bonds (distance) P-C4' energy: -59.729
flat angles C4'-P-C4' energy: -60.926
flat angles P-C4'-P energy: -44.916
tors. eta vs tors. theta energy: -98.233
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: 1
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -999.955827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.955827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.955827 (E_RNA)
where:
Base-Base interactions energy: -694.242
where: short stacking energy: -282.698
Base-Backbone interact. energy: -1.602
local terms energy: -304.111417
where:
bonds (distance) C4'-P energy: -57.208
bonds (distance) P-C4' energy: -54.679
flat angles C4'-P-C4' energy: -60.963
flat angles P-C4'-P energy: -44.681
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: 3, replica: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1009.826406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.826406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.826406 (E_RNA)
where:
Base-Base interactions energy: -709.797
where: short stacking energy: -307.702
Base-Backbone interact. energy: -1.573
local terms energy: -298.456492
where:
bonds (distance) C4'-P energy: -51.612
bonds (distance) P-C4' energy: -56.059
flat angles C4'-P-C4' energy: -58.951
flat angles P-C4'-P energy: -39.978
tors. eta vs tors. theta energy: -91.856
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: 8
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -885.199326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.199326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.199326 (E_RNA)
where:
Base-Base interactions energy: -600.905
where: short stacking energy: -270.313
Base-Backbone interact. energy: -1.709
local terms energy: -282.585730
where:
bonds (distance) C4'-P energy: -49.477
bonds (distance) P-C4' energy: -58.090
flat angles C4'-P-C4' energy: -58.301
flat angles P-C4'-P energy: -33.672
tors. eta vs tors. theta energy: -83.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -814.974458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.974458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.974458 (E_RNA)
where:
Base-Base interactions energy: -542.646
where: short stacking energy: -244.968
Base-Backbone interact. energy: -2.241
local terms energy: -270.087860
where:
bonds (distance) C4'-P energy: -56.767
bonds (distance) P-C4' energy: -45.385
flat angles C4'-P-C4' energy: -45.599
flat angles P-C4'-P energy: -47.037
tors. eta vs tors. theta energy: -75.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -764.135838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.135838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.135838 (E_RNA)
where:
Base-Base interactions energy: -514.400
where: short stacking energy: -215.769
Base-Backbone interact. energy: -2.432
local terms energy: -247.304638
where:
bonds (distance) C4'-P energy: -48.543
bonds (distance) P-C4' energy: -44.569
flat angles C4'-P-C4' energy: -56.167
flat angles P-C4'-P energy: -38.528
tors. eta vs tors. theta energy: -59.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -676.565356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -676.565356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -676.565356 (E_RNA)
where:
Base-Base interactions energy: -435.926
where: short stacking energy: -184.603
Base-Backbone interact. energy: -0.871
local terms energy: -239.768263
where:
bonds (distance) C4'-P energy: -46.969
bonds (distance) P-C4' energy: -47.861
flat angles C4'-P-C4' energy: -49.489
flat angles P-C4'-P energy: -43.812
tors. eta vs tors. theta energy: -51.637
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: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -571.564797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -571.564797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -571.564797 (E_RNA)
where:
Base-Base interactions energy: -364.582
where: short stacking energy: -165.547
Base-Backbone interact. energy: -0.344
local terms energy: -206.638889
where:
bonds (distance) C4'-P energy: -48.430
bonds (distance) P-C4' energy: -47.399
flat angles C4'-P-C4' energy: -49.409
flat angles P-C4'-P energy: -24.568
tors. eta vs tors. theta energy: -36.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -441.593207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -441.593207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -441.593207 (E_RNA)
where:
Base-Base interactions energy: -258.310
where: short stacking energy: -132.303
Base-Backbone interact. energy: 0.812
local terms energy: -184.094715
where:
bonds (distance) C4'-P energy: -52.403
bonds (distance) P-C4' energy: -47.695
flat angles C4'-P-C4' energy: -49.376
flat angles P-C4'-P energy: -21.127
tors. eta vs tors. theta energy: -13.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -382.065888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -382.065888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -382.065888 (E_RNA)
where:
Base-Base interactions energy: -216.161
where: short stacking energy: -104.292
Base-Backbone interact. energy: -1.173
local terms energy: -164.731623
where:
bonds (distance) C4'-P energy: -51.086
bonds (distance) P-C4' energy: -50.242
flat angles C4'-P-C4' energy: -23.958
flat angles P-C4'-P energy: -34.457
tors. eta vs tors. theta energy: -4.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1055.315892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.315892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.315892 (E_RNA)
where:
Base-Base interactions energy: -730.396
where: short stacking energy: -309.109
Base-Backbone interact. energy: -2.233
local terms energy: -322.686906
where:
bonds (distance) C4'-P energy: -63.290
bonds (distance) P-C4' energy: -57.722
flat angles C4'-P-C4' energy: -58.963
flat angles P-C4'-P energy: -44.169
tors. eta vs tors. theta energy: -98.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -992.110773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.110773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.110773 (E_RNA)
where:
Base-Base interactions energy: -695.963
where: short stacking energy: -287.149
Base-Backbone interact. energy: -0.640
local terms energy: -295.508163
where:
bonds (distance) C4'-P energy: -52.757
bonds (distance) P-C4' energy: -51.623
flat angles C4'-P-C4' energy: -56.898
flat angles P-C4'-P energy: -42.548
tors. eta vs tors. theta energy: -91.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -985.653145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.653145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.653145 (E_RNA)
where:
Base-Base interactions energy: -694.629
where: short stacking energy: -280.826
Base-Backbone interact. energy: -0.220
local terms energy: -290.803808
where:
bonds (distance) C4'-P energy: -57.018
bonds (distance) P-C4' energy: -48.233
flat angles C4'-P-C4' energy: -60.250
flat angles P-C4'-P energy: -37.302
tors. eta vs tors. theta energy: -88.002
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: 2
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -857.674147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -857.674147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -857.674147 (E_RNA)
where:
Base-Base interactions energy: -565.090
where: short stacking energy: -254.636
Base-Backbone interact. energy: -0.249
local terms energy: -292.335299
where:
bonds (distance) C4'-P energy: -62.851
bonds (distance) P-C4' energy: -51.365
flat angles C4'-P-C4' energy: -58.822
flat angles P-C4'-P energy: -43.895
tors. eta vs tors. theta energy: -75.402
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: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -905.168601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.168601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.168601 (E_RNA)
where:
Base-Base interactions energy: -625.171
where: short stacking energy: -273.734
Base-Backbone interact. energy: -0.982
local terms energy: -279.014683
where:
bonds (distance) C4'-P energy: -48.279
bonds (distance) P-C4' energy: -47.017
flat angles C4'-P-C4' energy: -56.143
flat angles P-C4'-P energy: -44.561
tors. eta vs tors. theta energy: -83.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -695.712746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -695.712746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -695.712746 (E_RNA)
where:
Base-Base interactions energy: -461.568
where: short stacking energy: -206.842
Base-Backbone interact. energy: -0.877
local terms energy: -233.267612
where:
bonds (distance) C4'-P energy: -51.071
bonds (distance) P-C4' energy: -53.983
flat angles C4'-P-C4' energy: -48.132
flat angles P-C4'-P energy: -29.887
tors. eta vs tors. theta energy: -50.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -785.878879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.878879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.878879 (E_RNA)
where:
Base-Base interactions energy: -539.903
where: short stacking energy: -231.587
Base-Backbone interact. energy: -1.208
local terms energy: -244.768226
where:
bonds (distance) C4'-P energy: -50.649
bonds (distance) P-C4' energy: -42.249
flat angles C4'-P-C4' energy: -50.476
flat angles P-C4'-P energy: -35.246
tors. eta vs tors. theta energy: -66.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -620.686168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -620.686168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -620.686168 (E_RNA)
where:
Base-Base interactions energy: -414.337
where: short stacking energy: -196.214
Base-Backbone interact. energy: 1.632
local terms energy: -207.981266
where:
bonds (distance) C4'-P energy: -47.673
bonds (distance) P-C4' energy: -44.330
flat angles C4'-P-C4' energy: -41.873
flat angles P-C4'-P energy: -33.649
tors. eta vs tors. theta energy: -40.456
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: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -469.645456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.645456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.645456 (E_RNA)
where:
Base-Base interactions energy: -273.745
where: short stacking energy: -141.442
Base-Backbone interact. energy: -0.916
local terms energy: -194.984450
where:
bonds (distance) C4'-P energy: -52.083
bonds (distance) P-C4' energy: -51.414
flat angles C4'-P-C4' energy: -41.188
flat angles P-C4'-P energy: -29.343
tors. eta vs tors. theta energy: -20.957
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: 3
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -387.386647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -387.386647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -387.386647 (E_RNA)
where:
Base-Base interactions energy: -225.684
where: short stacking energy: -107.633
Base-Backbone interact. energy: 2.283
local terms energy: -163.985063
where:
bonds (distance) C4'-P energy: -48.448
bonds (distance) P-C4' energy: -48.075
flat angles C4'-P-C4' energy: -35.285
flat angles P-C4'-P energy: -30.557
tors. eta vs tors. theta energy: -1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1049.307763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.307763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.307763 (E_RNA)
where:
Base-Base interactions energy: -727.735
where: short stacking energy: -303.730
Base-Backbone interact. energy: -0.422
local terms energy: -321.150389
where:
bonds (distance) C4'-P energy: -55.910
bonds (distance) P-C4' energy: -58.615
flat angles C4'-P-C4' energy: -61.230
flat angles P-C4'-P energy: -44.199
tors. eta vs tors. theta energy: -101.197
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: 2, replica: 4
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -989.162284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.162284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.162284 (E_RNA)
where:
Base-Base interactions energy: -683.382
where: short stacking energy: -287.718
Base-Backbone interact. energy: -2.172
local terms energy: -303.607980
where:
bonds (distance) C4'-P energy: -58.092
bonds (distance) P-C4' energy: -53.731
flat angles C4'-P-C4' energy: -52.422
flat angles P-C4'-P energy: -43.575
tors. eta vs tors. theta energy: -95.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -963.974616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.974616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.974616 (E_RNA)
where:
Base-Base interactions energy: -666.359
where: short stacking energy: -282.781
Base-Backbone interact. energy: 0.451
local terms energy: -298.067177
where:
bonds (distance) C4'-P energy: -49.350
bonds (distance) P-C4' energy: -56.791
flat angles C4'-P-C4' energy: -59.628
flat angles P-C4'-P energy: -46.462
tors. eta vs tors. theta energy: -85.837
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: 4, replica: 2
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -863.764609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.764609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.764609 (E_RNA)
where:
Base-Base interactions energy: -579.287
where: short stacking energy: -267.726
Base-Backbone interact. energy: -1.562
local terms energy: -282.915524
where:
bonds (distance) C4'-P energy: -48.373
bonds (distance) P-C4' energy: -50.082
flat angles C4'-P-C4' energy: -60.915
flat angles P-C4'-P energy: -47.613
tors. eta vs tors. theta energy: -75.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -896.288975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.288975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.288975 (E_RNA)
where:
Base-Base interactions energy: -624.974
where: short stacking energy: -266.189
Base-Backbone interact. energy: -2.699
local terms energy: -268.616554
where:
bonds (distance) C4'-P energy: -46.405
bonds (distance) P-C4' energy: -49.097
flat angles C4'-P-C4' energy: -51.392
flat angles P-C4'-P energy: -40.346
tors. eta vs tors. theta energy: -81.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -742.594015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.594015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.594015 (E_RNA)
where:
Base-Base interactions energy: -511.781
where: short stacking energy: -207.878
Base-Backbone interact. energy: 0.909
local terms energy: -231.722504
where:
bonds (distance) C4'-P energy: -43.060
bonds (distance) P-C4' energy: -49.236
flat angles C4'-P-C4' energy: -58.498
flat angles P-C4'-P energy: -30.125
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: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -732.379872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.379872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.379872 (E_RNA)
where:
Base-Base interactions energy: -499.352
where: short stacking energy: -214.100
Base-Backbone interact. energy: -0.971
local terms energy: -232.056657
where:
bonds (distance) C4'-P energy: -60.829
bonds (distance) P-C4' energy: -34.240
flat angles C4'-P-C4' energy: -49.783
flat angles P-C4'-P energy: -35.398
tors. eta vs tors. theta energy: -51.806
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: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -596.322280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -596.322280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -596.322280 (E_RNA)
where:
Base-Base interactions energy: -369.045
where: short stacking energy: -186.818
Base-Backbone interact. energy: 0.285
local terms energy: -227.562245
where:
bonds (distance) C4'-P energy: -43.017
bonds (distance) P-C4' energy: -54.376
flat angles C4'-P-C4' energy: -53.168
flat angles P-C4'-P energy: -37.949
tors. eta vs tors. theta energy: -39.053
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: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -427.976511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -427.976511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -427.976511 (E_RNA)
where:
Base-Base interactions energy: -262.899
where: short stacking energy: -133.631
Base-Backbone interact. energy: -1.520
local terms energy: -163.557222
where:
bonds (distance) C4'-P energy: -37.832
bonds (distance) P-C4' energy: -47.275
flat angles C4'-P-C4' energy: -41.908
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -22.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -399.408861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -399.408861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -399.408861 (E_RNA)
where:
Base-Base interactions energy: -221.525
where: short stacking energy: -112.770
Base-Backbone interact. energy: 1.186
local terms energy: -179.069646
where:
bonds (distance) C4'-P energy: -49.557
bonds (distance) P-C4' energy: -46.268
flat angles C4'-P-C4' energy: -40.586
flat angles P-C4'-P energy: -25.014
tors. eta vs tors. theta energy: -17.643
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: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1038.716663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.716663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.716663 (E_RNA)
where:
Base-Base interactions energy: -729.583
where: short stacking energy: -301.268
Base-Backbone interact. energy: -2.281
local terms energy: -306.852629
where:
bonds (distance) C4'-P energy: -48.758
bonds (distance) P-C4' energy: -54.482
flat angles C4'-P-C4' energy: -63.507
flat angles P-C4'-P energy: -40.240
tors. eta vs tors. theta energy: -99.866
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: 1
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -979.144534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.144534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.144534 (E_RNA)
where:
Base-Base interactions energy: -684.158
where: short stacking energy: -289.273
Base-Backbone interact. energy: -0.236
local terms energy: -294.750382
where:
bonds (distance) C4'-P energy: -50.138
bonds (distance) P-C4' energy: -50.673
flat angles C4'-P-C4' energy: -60.642
flat angles P-C4'-P energy: -48.275
tors. eta vs tors. theta energy: -85.023
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: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -964.028022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.028022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.028022 (E_RNA)
where:
Base-Base interactions energy: -666.557
where: short stacking energy: -289.131
Base-Backbone interact. energy: -1.123
local terms energy: -296.347518
where:
bonds (distance) C4'-P energy: -53.923
bonds (distance) P-C4' energy: -56.636
flat angles C4'-P-C4' energy: -63.880
flat angles P-C4'-P energy: -42.120
tors. eta vs tors. theta energy: -79.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -912.057883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.057883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.057883 (E_RNA)
where:
Base-Base interactions energy: -627.445
where: short stacking energy: -268.952
Base-Backbone interact. energy: -1.902
local terms energy: -282.711678
where:
bonds (distance) C4'-P energy: -49.239
bonds (distance) P-C4' energy: -54.413
flat angles C4'-P-C4' energy: -63.777
flat angles P-C4'-P energy: -33.439
tors. eta vs tors. theta energy: -81.843
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: 2
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -862.054502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.054502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.054502 (E_RNA)
where:
Base-Base interactions energy: -560.192
where: short stacking energy: -278.477
Base-Backbone interact. energy: -1.493
local terms energy: -300.370162
where:
bonds (distance) C4'-P energy: -65.091
bonds (distance) P-C4' energy: -51.223
flat angles C4'-P-C4' energy: -66.819
flat angles P-C4'-P energy: -37.918
tors. eta vs tors. theta energy: -79.319
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: 10
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -746.733389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.733389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.733389 (E_RNA)
where:
Base-Base interactions energy: -514.114
where: short stacking energy: -212.194
Base-Backbone interact. energy: -2.099
local terms energy: -230.520682
where:
bonds (distance) C4'-P energy: -46.144
bonds (distance) P-C4' energy: -59.728
flat angles C4'-P-C4' energy: -46.930
flat angles P-C4'-P energy: -28.251
tors. eta vs tors. theta energy: -49.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -718.160575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.160575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.160575 (E_RNA)
where:
Base-Base interactions energy: -485.665
where: short stacking energy: -219.222
Base-Backbone interact. energy: 0.253
local terms energy: -232.747599
where:
bonds (distance) C4'-P energy: -34.769
bonds (distance) P-C4' energy: -50.169
flat angles C4'-P-C4' energy: -54.441
flat angles P-C4'-P energy: -30.102
tors. eta vs tors. theta energy: -63.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -588.951965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.951965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.951965 (E_RNA)
where:
Base-Base interactions energy: -375.609
where: short stacking energy: -157.593
Base-Backbone interact. energy: -1.371
local terms energy: -211.972085
where:
bonds (distance) C4'-P energy: -46.805
bonds (distance) P-C4' energy: -43.759
flat angles C4'-P-C4' energy: -48.854
flat angles P-C4'-P energy: -36.459
tors. eta vs tors. theta energy: -36.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -455.979755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.979755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.979755 (E_RNA)
where:
Base-Base interactions energy: -279.231
where: short stacking energy: -136.008
Base-Backbone interact. energy: 0.752
local terms energy: -177.501061
where:
bonds (distance) C4'-P energy: -48.156
bonds (distance) P-C4' energy: -52.284
flat angles C4'-P-C4' energy: -37.744
flat angles P-C4'-P energy: -18.882
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -343.292531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.292531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.292531 (E_RNA)
where:
Base-Base interactions energy: -188.061
where: short stacking energy: -96.501
Base-Backbone interact. energy: -1.352
local terms energy: -153.879078
where:
bonds (distance) C4'-P energy: -43.409
bonds (distance) P-C4' energy: -35.834
flat angles C4'-P-C4' energy: -42.386
flat angles P-C4'-P energy: -28.438
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1042.209999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.209999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.209999 (E_RNA)
where:
Base-Base interactions energy: -730.655
where: short stacking energy: -297.383
Base-Backbone interact. energy: -1.973
local terms energy: -309.582053
where:
bonds (distance) C4'-P energy: -49.288
bonds (distance) P-C4' energy: -52.583
flat angles C4'-P-C4' energy: -67.318
flat angles P-C4'-P energy: -39.980
tors. eta vs tors. theta energy: -100.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1013.119843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.119843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.119843 (E_RNA)
where:
Base-Base interactions energy: -699.431
where: short stacking energy: -295.501
Base-Backbone interact. energy: -0.972
local terms energy: -312.716837
where:
bonds (distance) C4'-P energy: -53.077
bonds (distance) P-C4' energy: -59.330
flat angles C4'-P-C4' energy: -61.480
flat angles P-C4'-P energy: -46.846
tors. eta vs tors. theta energy: -91.984
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: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -976.780647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.780647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.780647 (E_RNA)
where:
Base-Base interactions energy: -680.150
where: short stacking energy: -293.201
Base-Backbone interact. energy: 0.449
local terms energy: -297.079595
where:
bonds (distance) C4'-P energy: -55.517
bonds (distance) P-C4' energy: -46.620
flat angles C4'-P-C4' energy: -61.834
flat angles P-C4'-P energy: -45.734
tors. eta vs tors. theta energy: -87.375
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: 414
Temperature: 1.050000
Total energy: -932.515196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.515196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.515196 (E_RNA)
where:
Base-Base interactions energy: -636.471
where: short stacking energy: -275.332
Base-Backbone interact. energy: -2.048
local terms energy: -293.995388
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -47.038
flat angles C4'-P-C4' energy: -63.619
flat angles P-C4'-P energy: -43.029
tors. eta vs tors. theta energy: -85.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -837.203650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.203650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.203650 (E_RNA)
where:
Base-Base interactions energy: -560.931
where: short stacking energy: -260.669
Base-Backbone interact. energy: -2.071
local terms energy: -274.202370
where:
bonds (distance) C4'-P energy: -57.988
bonds (distance) P-C4' energy: -41.467
flat angles C4'-P-C4' energy: -58.687
flat angles P-C4'-P energy: -47.289
tors. eta vs tors. theta energy: -68.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -749.977731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.977731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.977731 (E_RNA)
where:
Base-Base interactions energy: -493.258
where: short stacking energy: -200.217
Base-Backbone interact. energy: -2.400
local terms energy: -254.320058
where:
bonds (distance) C4'-P energy: -47.586
bonds (distance) P-C4' energy: -54.020
flat angles C4'-P-C4' energy: -57.197
flat angles P-C4'-P energy: -43.232
tors. eta vs tors. theta energy: -52.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -762.918514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -762.918514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -762.918514 (E_RNA)
where:
Base-Base interactions energy: -523.647
where: short stacking energy: -216.435
Base-Backbone interact. energy: 0.872
local terms energy: -240.143110
where:
bonds (distance) C4'-P energy: -47.516
bonds (distance) P-C4' energy: -48.726
flat angles C4'-P-C4' energy: -54.726
flat angles P-C4'-P energy: -31.524
tors. eta vs tors. theta energy: -57.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -590.460047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.460047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.460047 (E_RNA)
where:
Base-Base interactions energy: -378.911
where: short stacking energy: -173.375
Base-Backbone interact. energy: -1.070
local terms energy: -210.479179
where:
bonds (distance) C4'-P energy: -48.936
bonds (distance) P-C4' energy: -50.054
flat angles C4'-P-C4' energy: -53.410
flat angles P-C4'-P energy: -27.989
tors. eta vs tors. theta energy: -30.090
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: 6
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -477.037884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -477.037884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -477.037884 (E_RNA)
where:
Base-Base interactions energy: -279.907
where: short stacking energy: -143.044
Base-Backbone interact. energy: -2.692
local terms energy: -194.439033
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -43.606
flat angles C4'-P-C4' energy: -42.411
flat angles P-C4'-P energy: -31.200
tors. eta vs tors. theta energy: -26.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -358.089769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.089769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.089769 (E_RNA)
where:
Base-Base interactions energy: -212.387
where: short stacking energy: -111.979
Base-Backbone interact. energy: -1.356
local terms energy: -144.346786
where:
bonds (distance) C4'-P energy: -32.460
bonds (distance) P-C4' energy: -48.827
flat angles C4'-P-C4' energy: -31.367
flat angles P-C4'-P energy: -30.575
tors. eta vs tors. theta energy: -1.117
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: 7
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1037.807579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.807579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.807579 (E_RNA)
where:
Base-Base interactions energy: -719.009
where: short stacking energy: -304.103
Base-Backbone interact. energy: -1.366
local terms energy: -317.432868
where:
bonds (distance) C4'-P energy: -59.164
bonds (distance) P-C4' energy: -47.460
flat angles C4'-P-C4' energy: -64.065
flat angles P-C4'-P energy: -49.057
tors. eta vs tors. theta energy: -97.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1013.159850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.159850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.159850 (E_RNA)
where:
Base-Base interactions energy: -706.677
where: short stacking energy: -300.201
Base-Backbone interact. energy: -0.805
local terms energy: -305.677504
where:
bonds (distance) C4'-P energy: -49.928
bonds (distance) P-C4' energy: -55.214
flat angles C4'-P-C4' energy: -60.756
flat angles P-C4'-P energy: -48.893
tors. eta vs tors. theta energy: -90.887
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: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -972.380792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.380792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.380792 (E_RNA)
where:
Base-Base interactions energy: -682.454
where: short stacking energy: -280.615
Base-Backbone interact. energy: -1.547
local terms energy: -288.380104
where:
bonds (distance) C4'-P energy: -46.017
bonds (distance) P-C4' energy: -48.984
flat angles C4'-P-C4' energy: -62.856
flat angles P-C4'-P energy: -43.426
tors. eta vs tors. theta energy: -87.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -932.012093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.012093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.012093 (E_RNA)
where:
Base-Base interactions energy: -644.477
where: short stacking energy: -266.031
Base-Backbone interact. energy: -2.011
local terms energy: -285.524312
where:
bonds (distance) C4'-P energy: -42.782
bonds (distance) P-C4' energy: -55.868
flat angles C4'-P-C4' energy: -67.039
flat angles P-C4'-P energy: -37.855
tors. eta vs tors. theta energy: -81.981
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: 2
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -830.618151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.618151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.618151 (E_RNA)
where:
Base-Base interactions energy: -553.501
where: short stacking energy: -253.393
Base-Backbone interact. energy: -0.210
local terms energy: -276.907718
where:
bonds (distance) C4'-P energy: -58.902
bonds (distance) P-C4' energy: -48.199
flat angles C4'-P-C4' energy: -62.621
flat angles P-C4'-P energy: -32.966
tors. eta vs tors. theta energy: -74.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -771.375918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.375918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.375918 (E_RNA)
where:
Base-Base interactions energy: -512.123
where: short stacking energy: -217.847
Base-Backbone interact. energy: -1.178
local terms energy: -258.074578
where:
bonds (distance) C4'-P energy: -45.714
bonds (distance) P-C4' energy: -59.617
flat angles C4'-P-C4' energy: -53.483
flat angles P-C4'-P energy: -35.513
tors. eta vs tors. theta energy: -63.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -724.501923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.501923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.501923 (E_RNA)
where:
Base-Base interactions energy: -486.152
where: short stacking energy: -223.884
Base-Backbone interact. energy: -0.358
local terms energy: -237.992074
where:
bonds (distance) C4'-P energy: -52.066
bonds (distance) P-C4' energy: -45.371
flat angles C4'-P-C4' energy: -54.665
flat angles P-C4'-P energy: -30.271
tors. eta vs tors. theta energy: -55.619
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: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -566.956604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -566.956604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -566.956604 (E_RNA)
where:
Base-Base interactions energy: -354.801
where: short stacking energy: -159.020
Base-Backbone interact. energy: -1.245
local terms energy: -210.910516
where:
bonds (distance) C4'-P energy: -59.579
bonds (distance) P-C4' energy: -41.272
flat angles C4'-P-C4' energy: -45.538
flat angles P-C4'-P energy: -32.633
tors. eta vs tors. theta energy: -31.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -467.909264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -467.909264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -467.909264 (E_RNA)
where:
Base-Base interactions energy: -269.763
where: short stacking energy: -145.154
Base-Backbone interact. energy: 0.827
local terms energy: -198.973085
where:
bonds (distance) C4'-P energy: -50.866
bonds (distance) P-C4' energy: -41.975
flat angles C4'-P-C4' energy: -47.757
flat angles P-C4'-P energy: -32.132
tors. eta vs tors. theta energy: -26.243
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: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -350.965389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.965389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.965389 (E_RNA)
where:
Base-Base interactions energy: -189.320
where: short stacking energy: -95.076
Base-Backbone interact. energy: -0.824
local terms energy: -160.821632
where:
bonds (distance) C4'-P energy: -30.625
bonds (distance) P-C4' energy: -49.607
flat angles C4'-P-C4' energy: -50.273
flat angles P-C4'-P energy: -20.654
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1029.168947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.168947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.168947 (E_RNA)
where:
Base-Base interactions energy: -715.117
where: short stacking energy: -302.400
Base-Backbone interact. energy: -1.861
local terms energy: -312.190634
where:
bonds (distance) C4'-P energy: -59.261
bonds (distance) P-C4' energy: -49.592
flat angles C4'-P-C4' energy: -63.835
flat angles P-C4'-P energy: -45.460
tors. eta vs tors. theta energy: -94.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1022.209423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.209423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.209423 (E_RNA)
where:
Base-Base interactions energy: -700.435
where: short stacking energy: -294.769
Base-Backbone interact. energy: -0.964
local terms energy: -320.811121
where:
bonds (distance) C4'-P energy: -56.337
bonds (distance) P-C4' energy: -59.067
flat angles C4'-P-C4' energy: -65.179
flat angles P-C4'-P energy: -44.161
tors. eta vs tors. theta energy: -96.067
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: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -984.483026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -984.483026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -984.483026 (E_RNA)
where:
Base-Base interactions energy: -681.854
where: short stacking energy: -291.713
Base-Backbone interact. energy: -1.949
local terms energy: -300.680177
where:
bonds (distance) C4'-P energy: -51.676
bonds (distance) P-C4' energy: -56.548
flat angles C4'-P-C4' energy: -57.744
flat angles P-C4'-P energy: -43.948
tors. eta vs tors. theta energy: -90.764
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: 4, replica: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -911.525902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.525902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.525902 (E_RNA)
where:
Base-Base interactions energy: -615.695
where: short stacking energy: -267.389
Base-Backbone interact. energy: -0.480
local terms energy: -295.350366
where:
bonds (distance) C4'-P energy: -56.315
bonds (distance) P-C4' energy: -57.995
flat angles C4'-P-C4' energy: -56.010
flat angles P-C4'-P energy: -44.251
tors. eta vs tors. theta energy: -80.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -815.761975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.761975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.761975 (E_RNA)
where:
Base-Base interactions energy: -545.176
where: short stacking energy: -239.456
Base-Backbone interact. energy: -1.069
local terms energy: -269.516922
where:
bonds (distance) C4'-P energy: -50.297
bonds (distance) P-C4' energy: -56.328
flat angles C4'-P-C4' energy: -57.582
flat angles P-C4'-P energy: -37.544
tors. eta vs tors. theta energy: -67.766
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: 6, replica: 2
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -837.272551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.272551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.272551 (E_RNA)
where:
Base-Base interactions energy: -574.698
where: short stacking energy: -254.309
Base-Backbone interact. energy: -0.881
local terms energy: -261.693288
where:
bonds (distance) C4'-P energy: -40.327
bonds (distance) P-C4' energy: -48.676
flat angles C4'-P-C4' energy: -59.213
flat angles P-C4'-P energy: -34.300
tors. eta vs tors. theta energy: -79.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -722.288295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.288295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.288295 (E_RNA)
where:
Base-Base interactions energy: -482.932
where: short stacking energy: -204.691
Base-Backbone interact. energy: 1.584
local terms energy: -240.939814
where:
bonds (distance) C4'-P energy: -52.820
bonds (distance) P-C4' energy: -55.437
flat angles C4'-P-C4' energy: -47.470
flat angles P-C4'-P energy: -33.229
tors. eta vs tors. theta energy: -51.984
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: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -585.929560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.929560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.929560 (E_RNA)
where:
Base-Base interactions energy: -361.890
where: short stacking energy: -174.562
Base-Backbone interact. energy: 2.242
local terms energy: -226.280775
where:
bonds (distance) C4'-P energy: -50.944
bonds (distance) P-C4' energy: -58.685
flat angles C4'-P-C4' energy: -46.898
flat angles P-C4'-P energy: -26.076
tors. eta vs tors. theta energy: -43.677
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: 9, replica: 6
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -450.271039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.271039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.271039 (E_RNA)
where:
Base-Base interactions energy: -277.206
where: short stacking energy: -129.141
Base-Backbone interact. energy: -1.429
local terms energy: -171.635598
where:
bonds (distance) C4'-P energy: -36.159
bonds (distance) P-C4' energy: -48.952
flat angles C4'-P-C4' energy: -40.572
flat angles P-C4'-P energy: -23.477
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -347.998279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.998279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.998279 (E_RNA)
where:
Base-Base interactions energy: -183.074
where: short stacking energy: -106.036
Base-Backbone interact. energy: -0.777
local terms energy: -164.147221
where:
bonds (distance) C4'-P energy: -40.396
bonds (distance) P-C4' energy: -43.370
flat angles C4'-P-C4' energy: -45.965
flat angles P-C4'-P energy: -29.020
tors. eta vs tors. theta energy: -5.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1034.533882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.533882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.533882 (E_RNA)
where:
Base-Base interactions energy: -734.207
where: short stacking energy: -303.357
Base-Backbone interact. energy: -0.304
local terms energy: -300.022965
where:
bonds (distance) C4'-P energy: -57.943
bonds (distance) P-C4' energy: -52.838
flat angles C4'-P-C4' energy: -58.852
flat angles P-C4'-P energy: -38.444
tors. eta vs tors. theta energy: -91.946
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: 7
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1018.179432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.179432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.179432 (E_RNA)
where:
Base-Base interactions energy: -695.888
where: short stacking energy: -292.098
Base-Backbone interact. energy: 0.306
local terms energy: -322.597730
where:
bonds (distance) C4'-P energy: -59.050
bonds (distance) P-C4' energy: -59.844
flat angles C4'-P-C4' energy: -65.466
flat angles P-C4'-P energy: -44.596
tors. eta vs tors. theta energy: -93.641
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: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -965.170656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.170656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.170656 (E_RNA)
where:
Base-Base interactions energy: -677.765
where: short stacking energy: -275.698
Base-Backbone interact. energy: -0.371
local terms energy: -287.034841
where:
bonds (distance) C4'-P energy: -44.384
bonds (distance) P-C4' energy: -60.684
flat angles C4'-P-C4' energy: -63.654
flat angles P-C4'-P energy: -40.204
tors. eta vs tors. theta energy: -78.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -903.441479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.441479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.441479 (E_RNA)
where:
Base-Base interactions energy: -621.978
where: short stacking energy: -251.409
Base-Backbone interact. energy: -1.138
local terms energy: -280.324644
where:
bonds (distance) C4'-P energy: -51.909
bonds (distance) P-C4' energy: -58.656
flat angles C4'-P-C4' energy: -55.979
flat angles P-C4'-P energy: -46.068
tors. eta vs tors. theta energy: -67.712
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: 417
Temperature: 1.100000
Total energy: -863.429501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.429501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.429501 (E_RNA)
where:
Base-Base interactions energy: -580.324
where: short stacking energy: -260.509
Base-Backbone interact. energy: 1.604
local terms energy: -284.709842
where:
bonds (distance) C4'-P energy: -61.618
bonds (distance) P-C4' energy: -53.311
flat angles C4'-P-C4' energy: -56.701
flat angles P-C4'-P energy: -30.601
tors. eta vs tors. theta energy: -82.478
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: 2
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -817.903768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.903768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.903768 (E_RNA)
where:
Base-Base interactions energy: -554.477
where: short stacking energy: -266.333
Base-Backbone interact. energy: -0.338
local terms energy: -263.088037
where:
bonds (distance) C4'-P energy: -35.262
bonds (distance) P-C4' energy: -51.046
flat angles C4'-P-C4' energy: -62.522
flat angles P-C4'-P energy: -37.493
tors. eta vs tors. theta energy: -76.765
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: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -700.736348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.736348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.736348 (E_RNA)
where:
Base-Base interactions energy: -480.799
where: short stacking energy: -193.468
Base-Backbone interact. energy: -1.957
local terms energy: -217.980223
where:
bonds (distance) C4'-P energy: -42.789
bonds (distance) P-C4' energy: -52.192
flat angles C4'-P-C4' energy: -58.999
flat angles P-C4'-P energy: -22.628
tors. eta vs tors. theta energy: -41.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -554.596942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.596942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.596942 (E_RNA)
where:
Base-Base interactions energy: -364.190
where: short stacking energy: -167.205
Base-Backbone interact. energy: 6.567
local terms energy: -196.974312
where:
bonds (distance) C4'-P energy: -38.767
bonds (distance) P-C4' energy: -53.061
flat angles C4'-P-C4' energy: -48.719
flat angles P-C4'-P energy: -25.002
tors. eta vs tors. theta energy: -31.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -401.351958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -401.351958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -401.351958 (E_RNA)
where:
Base-Base interactions energy: -199.568
where: short stacking energy: -99.455
Base-Backbone interact. energy: -0.478
local terms energy: -201.306327
where:
bonds (distance) C4'-P energy: -49.381
bonds (distance) P-C4' energy: -50.313
flat angles C4'-P-C4' energy: -58.912
flat angles P-C4'-P energy: -27.074
tors. eta vs tors. theta energy: -15.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -366.321638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.321638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.321638 (E_RNA)
where:
Base-Base interactions energy: -195.794
where: short stacking energy: -104.924
Base-Backbone interact. energy: -0.217
local terms energy: -170.310221
where:
bonds (distance) C4'-P energy: -49.228
bonds (distance) P-C4' energy: -59.442
flat angles C4'-P-C4' energy: -45.533
flat angles P-C4'-P energy: -18.048
tors. eta vs tors. theta energy: 1.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1038.883506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.883506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.883506 (E_RNA)
where:
Base-Base interactions energy: -719.145
where: short stacking energy: -306.129
Base-Backbone interact. energy: -0.791
local terms energy: -318.947958
where:
bonds (distance) C4'-P energy: -59.433
bonds (distance) P-C4' energy: -50.872
flat angles C4'-P-C4' energy: -69.426
flat angles P-C4'-P energy: -48.263
tors. eta vs tors. theta energy: -90.954
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: 7
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1051.084301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.084301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.084301 (E_RNA)
where:
Base-Base interactions energy: -740.634
where: short stacking energy: -316.741
Base-Backbone interact. energy: -0.790
local terms energy: -309.659807
where:
bonds (distance) C4'-P energy: -59.897
bonds (distance) P-C4' energy: -48.514
flat angles C4'-P-C4' energy: -64.091
flat angles P-C4'-P energy: -37.778
tors. eta vs tors. theta energy: -99.380
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: 4
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -983.385522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.385522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.385522 (E_RNA)
where:
Base-Base interactions energy: -681.560
where: short stacking energy: -293.879
Base-Backbone interact. energy: -0.200
local terms energy: -301.624785
where:
bonds (distance) C4'-P energy: -42.240
bonds (distance) P-C4' energy: -57.855
flat angles C4'-P-C4' energy: -64.015
flat angles P-C4'-P energy: -44.532
tors. eta vs tors. theta energy: -92.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -901.251762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.251762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.251762 (E_RNA)
where:
Base-Base interactions energy: -611.571
where: short stacking energy: -265.769
Base-Backbone interact. energy: -2.846
local terms energy: -286.834589
where:
bonds (distance) C4'-P energy: -49.491
bonds (distance) P-C4' energy: -58.004
flat angles C4'-P-C4' energy: -64.039
flat angles P-C4'-P energy: -41.993
tors. eta vs tors. theta energy: -73.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -835.447461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.447461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.447461 (E_RNA)
where:
Base-Base interactions energy: -556.733
where: short stacking energy: -240.819
Base-Backbone interact. energy: 0.282
local terms energy: -278.996750
where:
bonds (distance) C4'-P energy: -56.123
bonds (distance) P-C4' energy: -50.318
flat angles C4'-P-C4' energy: -60.483
flat angles P-C4'-P energy: -30.635
tors. eta vs tors. theta energy: -81.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -827.798193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.798193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.798193 (E_RNA)
where:
Base-Base interactions energy: -559.567
where: short stacking energy: -255.165
Base-Backbone interact. energy: 2.580
local terms energy: -270.811409
where:
bonds (distance) C4'-P energy: -39.281
bonds (distance) P-C4' energy: -48.437
flat angles C4'-P-C4' energy: -61.273
flat angles P-C4'-P energy: -35.972
tors. eta vs tors. theta energy: -85.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -730.691763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.691763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.691763 (E_RNA)
where:
Base-Base interactions energy: -521.078
where: short stacking energy: -214.606
Base-Backbone interact. energy: -1.768
local terms energy: -207.845337
where:
bonds (distance) C4'-P energy: -27.117
bonds (distance) P-C4' energy: -48.759
flat angles C4'-P-C4' energy: -45.809
flat angles P-C4'-P energy: -27.164
tors. eta vs tors. theta energy: -58.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -543.331304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.331304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.331304 (E_RNA)
where:
Base-Base interactions energy: -334.157
where: short stacking energy: -139.464
Base-Backbone interact. energy: 0.398
local terms energy: -209.571852
where:
bonds (distance) C4'-P energy: -50.857
bonds (distance) P-C4' energy: -53.585
flat angles C4'-P-C4' energy: -51.501
flat angles P-C4'-P energy: -33.444
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: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -385.978458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -385.978458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -385.978458 (E_RNA)
where:
Base-Base interactions energy: -200.347
where: short stacking energy: -95.784
Base-Backbone interact. energy: -0.074
local terms energy: -185.557524
where:
bonds (distance) C4'-P energy: -46.312
bonds (distance) P-C4' energy: -49.766
flat angles C4'-P-C4' energy: -51.826
flat angles P-C4'-P energy: -35.091
tors. eta vs tors. theta energy: -2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -350.069162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.069162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.069162 (E_RNA)
where:
Base-Base interactions energy: -190.341
where: short stacking energy: -105.760
Base-Backbone interact. energy: 0.641
local terms energy: -160.368394
where:
bonds (distance) C4'-P energy: -42.792
bonds (distance) P-C4' energy: -46.069
flat angles C4'-P-C4' energy: -54.993
flat angles P-C4'-P energy: -17.357
tors. eta vs tors. theta energy: 0.842
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: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1026.423282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.423282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.423282 (E_RNA)
where:
Base-Base interactions energy: -713.908
where: short stacking energy: -306.378
Base-Backbone interact. energy: 0.298
local terms energy: -312.813647
where:
bonds (distance) C4'-P energy: -48.408
bonds (distance) P-C4' energy: -57.325
flat angles C4'-P-C4' energy: -67.935
flat angles P-C4'-P energy: -43.139
tors. eta vs tors. theta energy: -96.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -1035.416587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.416587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.416587 (E_RNA)
where:
Base-Base interactions energy: -733.997
where: short stacking energy: -302.181
Base-Backbone interact. energy: -0.146
local terms energy: -301.273922
where:
bonds (distance) C4'-P energy: -53.894
bonds (distance) P-C4' energy: -56.768
flat angles C4'-P-C4' energy: -61.056
flat angles P-C4'-P energy: -40.668
tors. eta vs tors. theta energy: -88.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -977.605057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.605057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.605057 (E_RNA)
where:
Base-Base interactions energy: -679.731
where: short stacking energy: -287.505
Base-Backbone interact. energy: -1.261
local terms energy: -296.613088
where:
bonds (distance) C4'-P energy: -46.708
bonds (distance) P-C4' energy: -58.094
flat angles C4'-P-C4' energy: -65.056
flat angles P-C4'-P energy: -35.515
tors. eta vs tors. theta energy: -91.240
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: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -887.789152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.789152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.789152 (E_RNA)
where:
Base-Base interactions energy: -615.524
where: short stacking energy: -252.727
Base-Backbone interact. energy: -0.413
local terms energy: -271.851602
where:
bonds (distance) C4'-P energy: -51.536
bonds (distance) P-C4' energy: -58.867
flat angles C4'-P-C4' energy: -56.616
flat angles P-C4'-P energy: -35.225
tors. eta vs tors. theta energy: -69.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -881.069002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.069002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.069002 (E_RNA)
where:
Base-Base interactions energy: -589.998
where: short stacking energy: -258.603
Base-Backbone interact. energy: -0.577
local terms energy: -290.493735
where:
bonds (distance) C4'-P energy: -46.996
bonds (distance) P-C4' energy: -65.257
flat angles C4'-P-C4' energy: -49.403
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -84.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -867.126465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.126465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.126465 (E_RNA)
where:
Base-Base interactions energy: -596.519
where: short stacking energy: -262.797
Base-Backbone interact. energy: 0.509
local terms energy: -271.117328
where:
bonds (distance) C4'-P energy: -55.153
bonds (distance) P-C4' energy: -43.833
flat angles C4'-P-C4' energy: -58.694
flat angles P-C4'-P energy: -36.590
tors. eta vs tors. theta energy: -76.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -710.462117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.462117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.462117 (E_RNA)
where:
Base-Base interactions energy: -489.194
where: short stacking energy: -208.696
Base-Backbone interact. energy: -0.960
local terms energy: -220.307959
where:
bonds (distance) C4'-P energy: -38.944
bonds (distance) P-C4' energy: -53.252
flat angles C4'-P-C4' energy: -55.547
flat angles P-C4'-P energy: -19.232
tors. eta vs tors. theta energy: -53.333
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: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -529.104338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.104338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.104338 (E_RNA)
where:
Base-Base interactions energy: -319.786
where: short stacking energy: -148.044
Base-Backbone interact. energy: 0.653
local terms energy: -209.971271
where:
bonds (distance) C4'-P energy: -44.263
bonds (distance) P-C4' energy: -55.886
flat angles C4'-P-C4' energy: -52.191
flat angles P-C4'-P energy: -36.751
tors. eta vs tors. theta energy: -20.881
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: 6
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -431.968497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -431.968497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -431.968497 (E_RNA)
where:
Base-Base interactions energy: -237.771
where: short stacking energy: -133.993
Base-Backbone interact. energy: 1.345
local terms energy: -195.542562
where:
bonds (distance) C4'-P energy: -60.943
bonds (distance) P-C4' energy: -50.713
flat angles C4'-P-C4' energy: -44.255
flat angles P-C4'-P energy: -26.022
tors. eta vs tors. theta energy: -13.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -346.107900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -346.107900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -346.107900 (E_RNA)
where:
Base-Base interactions energy: -168.101
where: short stacking energy: -88.489
Base-Backbone interact. energy: -0.344
local terms energy: -177.662984
where:
bonds (distance) C4'-P energy: -46.861
bonds (distance) P-C4' energy: -54.200
flat angles C4'-P-C4' energy: -51.748
flat angles P-C4'-P energy: -19.554
tors. eta vs tors. theta energy: -5.300
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: 420
Temperature: 0.900000
Total energy: -1042.259402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.259402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.259402 (E_RNA)
where:
Base-Base interactions energy: -731.211
where: short stacking energy: -307.360
Base-Backbone interact. energy: -0.474
local terms energy: -310.574698
where:
bonds (distance) C4'-P energy: -50.367
bonds (distance) P-C4' energy: -57.917
flat angles C4'-P-C4' energy: -65.530
flat angles P-C4'-P energy: -37.933
tors. eta vs tors. theta energy: -98.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -994.537388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.537388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.537388 (E_RNA)
where:
Base-Base interactions energy: -695.395
where: short stacking energy: -295.485
Base-Backbone interact. energy: 1.746
local terms energy: -300.888720
where:
bonds (distance) C4'-P energy: -62.924
bonds (distance) P-C4' energy: -54.071
flat angles C4'-P-C4' energy: -56.638
flat angles P-C4'-P energy: -44.203
tors. eta vs tors. theta energy: -83.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -975.014491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.014491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.014491 (E_RNA)
where:
Base-Base interactions energy: -684.926
where: short stacking energy: -294.363
Base-Backbone interact. energy: 1.300
local terms energy: -291.389280
where:
bonds (distance) C4'-P energy: -45.825
bonds (distance) P-C4' energy: -54.191
flat angles C4'-P-C4' energy: -63.179
flat angles P-C4'-P energy: -42.042
tors. eta vs tors. theta energy: -86.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -877.524845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.524845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.524845 (E_RNA)
where:
Base-Base interactions energy: -619.245
where: short stacking energy: -254.904
Base-Backbone interact. energy: -1.985
local terms energy: -256.294980
where:
bonds (distance) C4'-P energy: -46.985
bonds (distance) P-C4' energy: -50.995
flat angles C4'-P-C4' energy: -50.188
flat angles P-C4'-P energy: -39.342
tors. eta vs tors. theta energy: -68.785
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: 5, replica: 2
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -880.143358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.143358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.143358 (E_RNA)
where:
Base-Base interactions energy: -598.666
where: short stacking energy: -270.318
Base-Backbone interact. energy: -1.771
local terms energy: -279.706020
where:
bonds (distance) C4'-P energy: -50.388
bonds (distance) P-C4' energy: -44.932
flat angles C4'-P-C4' energy: -63.191
flat angles P-C4'-P energy: -40.536
tors. eta vs tors. theta energy: -80.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -820.299303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.299303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.299303 (E_RNA)
where:
Base-Base interactions energy: -555.288
where: short stacking energy: -238.630
Base-Backbone interact. energy: -1.470
local terms energy: -263.540819
where:
bonds (distance) C4'-P energy: -49.559
bonds (distance) P-C4' energy: -45.891
flat angles C4'-P-C4' energy: -56.917
flat angles P-C4'-P energy: -33.295
tors. eta vs tors. theta energy: -77.879
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: 420
Temperature: 1.200000
Total energy: -732.809047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.809047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.809047 (E_RNA)
where:
Base-Base interactions energy: -489.637
where: short stacking energy: -219.678
Base-Backbone interact. energy: -0.043
local terms energy: -243.128875
where:
bonds (distance) C4'-P energy: -40.864
bonds (distance) P-C4' energy: -61.372
flat angles C4'-P-C4' energy: -59.640
flat angles P-C4'-P energy: -27.528
tors. eta vs tors. theta energy: -53.725
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: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -530.379477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -530.379477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -530.379477 (E_RNA)
where:
Base-Base interactions energy: -329.319
where: short stacking energy: -149.967
Base-Backbone interact. energy: -2.692
local terms energy: -198.369002
where:
bonds (distance) C4'-P energy: -45.640
bonds (distance) P-C4' energy: -56.779
flat angles C4'-P-C4' energy: -38.502
flat angles P-C4'-P energy: -29.967
tors. eta vs tors. theta energy: -27.481
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: 6
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -474.958940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -474.958940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -474.958940 (E_RNA)
where:
Base-Base interactions energy: -302.763
where: short stacking energy: -142.590
Base-Backbone interact. energy: 0.357
local terms energy: -172.553061
where:
bonds (distance) C4'-P energy: -45.916
bonds (distance) P-C4' energy: -50.450
flat angles C4'-P-C4' energy: -39.699
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -24.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -362.845639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.845639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.845639 (E_RNA)
where:
Base-Base interactions energy: -176.458
where: short stacking energy: -106.813
Base-Backbone interact. energy: -0.718
local terms energy: -185.670273
where:
bonds (distance) C4'-P energy: -43.601
bonds (distance) P-C4' energy: -44.806
flat angles C4'-P-C4' energy: -59.708
flat angles P-C4'-P energy: -27.827
tors. eta vs tors. theta energy: -9.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1047.959069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.959069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.959069 (E_RNA)
where:
Base-Base interactions energy: -725.297
where: short stacking energy: -299.508
Base-Backbone interact. energy: -1.436
local terms energy: -321.226380
where:
bonds (distance) C4'-P energy: -56.884
bonds (distance) P-C4' energy: -66.875
flat angles C4'-P-C4' energy: -66.120
flat angles P-C4'-P energy: -34.404
tors. eta vs tors. theta energy: -96.944
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: 1
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -994.914627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.914627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.914627 (E_RNA)
where:
Base-Base interactions energy: -683.615
where: short stacking energy: -288.861
Base-Backbone interact. energy: -0.333
local terms energy: -310.967194
where:
bonds (distance) C4'-P energy: -53.065
bonds (distance) P-C4' energy: -58.853
flat angles C4'-P-C4' energy: -60.312
flat angles P-C4'-P energy: -48.533
tors. eta vs tors. theta energy: -90.204
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: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -989.495037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.495037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.495037 (E_RNA)
where:
Base-Base interactions energy: -708.102
where: short stacking energy: -270.879
Base-Backbone interact. energy: 2.746
local terms energy: -284.138518
where:
bonds (distance) C4'-P energy: -36.258
bonds (distance) P-C4' energy: -63.323
flat angles C4'-P-C4' energy: -60.148
flat angles P-C4'-P energy: -39.747
tors. eta vs tors. theta energy: -84.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -890.108798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.108798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.108798 (E_RNA)
where:
Base-Base interactions energy: -608.098
where: short stacking energy: -268.214
Base-Backbone interact. energy: -0.735
local terms energy: -281.276075
where:
bonds (distance) C4'-P energy: -58.056
bonds (distance) P-C4' energy: -49.527
flat angles C4'-P-C4' energy: -52.127
flat angles P-C4'-P energy: -42.079
tors. eta vs tors. theta energy: -79.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -859.366429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -859.366429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -859.366429 (E_RNA)
where:
Base-Base interactions energy: -601.344
where: short stacking energy: -254.708
Base-Backbone interact. energy: -0.792
local terms energy: -257.230489
where:
bonds (distance) C4'-P energy: -35.012
bonds (distance) P-C4' energy: -51.762
flat angles C4'-P-C4' energy: -52.219
flat angles P-C4'-P energy: -42.255
tors. eta vs tors. theta energy: -75.983
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: 6, replica: 5
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -788.981947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.981947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.981947 (E_RNA)
where:
Base-Base interactions energy: -534.339
where: short stacking energy: -238.810
Base-Backbone interact. energy: -0.837
local terms energy: -253.805858
where:
bonds (distance) C4'-P energy: -58.853
bonds (distance) P-C4' energy: -44.510
flat angles C4'-P-C4' energy: -49.862
flat angles P-C4'-P energy: -32.725
tors. eta vs tors. theta energy: -67.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -737.995268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.995268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.995268 (E_RNA)
where:
Base-Base interactions energy: -487.949
where: short stacking energy: -208.256
Base-Backbone interact. energy: -2.961
local terms energy: -247.085623
where:
bonds (distance) C4'-P energy: -46.887
bonds (distance) P-C4' energy: -54.304
flat angles C4'-P-C4' energy: -58.422
flat angles P-C4'-P energy: -31.932
tors. eta vs tors. theta energy: -55.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -540.188431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.188431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.188431 (E_RNA)
where:
Base-Base interactions energy: -347.084
where: short stacking energy: -141.787
Base-Backbone interact. energy: 0.914
local terms energy: -194.018713
where:
bonds (distance) C4'-P energy: -43.056
bonds (distance) P-C4' energy: -53.925
flat angles C4'-P-C4' energy: -39.033
flat angles P-C4'-P energy: -34.531
tors. eta vs tors. theta energy: -23.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -455.108631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.108631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.108631 (E_RNA)
where:
Base-Base interactions energy: -273.267
where: short stacking energy: -126.565
Base-Backbone interact. energy: 1.726
local terms energy: -183.567914
where:
bonds (distance) C4'-P energy: -37.258
bonds (distance) P-C4' energy: -44.608
flat angles C4'-P-C4' energy: -52.917
flat angles P-C4'-P energy: -28.710
tors. eta vs tors. theta energy: -20.074
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: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -366.581749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -366.581749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -366.581749 (E_RNA)
where:
Base-Base interactions energy: -191.456
where: short stacking energy: -111.057
Base-Backbone interact. energy: 2.043
local terms energy: -177.168662
where:
bonds (distance) C4'-P energy: -49.767
bonds (distance) P-C4' energy: -42.693
flat angles C4'-P-C4' energy: -40.551
flat angles P-C4'-P energy: -31.101
tors. eta vs tors. theta energy: -13.057
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: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1048.022427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.022427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.022427 (E_RNA)
where:
Base-Base interactions energy: -729.267
where: short stacking energy: -294.605
Base-Backbone interact. energy: -3.128
local terms energy: -315.627387
where:
bonds (distance) C4'-P energy: -57.938
bonds (distance) P-C4' energy: -59.159
flat angles C4'-P-C4' energy: -64.567
flat angles P-C4'-P energy: -39.209
tors. eta vs tors. theta energy: -94.754
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: 2, replica: 1
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -1006.902735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.902735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.902735 (E_RNA)
where:
Base-Base interactions energy: -699.111
where: short stacking energy: -293.540
Base-Backbone interact. energy: -0.699
local terms energy: -307.091869
where:
bonds (distance) C4'-P energy: -47.082
bonds (distance) P-C4' energy: -59.026
flat angles C4'-P-C4' energy: -60.242
flat angles P-C4'-P energy: -45.958
tors. eta vs tors. theta energy: -94.785
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: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -975.738361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.738361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.738361 (E_RNA)
where:
Base-Base interactions energy: -672.898
where: short stacking energy: -267.575
Base-Backbone interact. energy: -1.354
local terms energy: -301.486669
where:
bonds (distance) C4'-P energy: -48.767
bonds (distance) P-C4' energy: -55.024
flat angles C4'-P-C4' energy: -67.176
flat angles P-C4'-P energy: -45.453
tors. eta vs tors. theta energy: -85.066
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: 422
Temperature: 1.050000
Total energy: -876.670731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.670731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.670731 (E_RNA)
where:
Base-Base interactions energy: -594.089
where: short stacking energy: -264.605
Base-Backbone interact. energy: -1.210
local terms energy: -281.371821
where:
bonds (distance) C4'-P energy: -54.801
bonds (distance) P-C4' energy: -53.197
flat angles C4'-P-C4' energy: -58.562
flat angles P-C4'-P energy: -42.300
tors. eta vs tors. theta energy: -72.512
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: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -866.976261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.976261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.976261 (E_RNA)
where:
Base-Base interactions energy: -599.455
where: short stacking energy: -241.416
Base-Backbone interact. energy: -2.250
local terms energy: -265.271279
where:
bonds (distance) C4'-P energy: -49.654
bonds (distance) P-C4' energy: -51.296
flat angles C4'-P-C4' energy: -55.755
flat angles P-C4'-P energy: -35.892
tors. eta vs tors. theta energy: -72.675
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: 5
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -771.677757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.677757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.677757 (E_RNA)
where:
Base-Base interactions energy: -523.899
where: short stacking energy: -224.624
Base-Backbone interact. energy: -1.108
local terms energy: -246.671097
where:
bonds (distance) C4'-P energy: -48.226
bonds (distance) P-C4' energy: -51.746
flat angles C4'-P-C4' energy: -52.820
flat angles P-C4'-P energy: -35.786
tors. eta vs tors. theta energy: -58.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -688.010494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.010494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.010494 (E_RNA)
where:
Base-Base interactions energy: -445.495
where: short stacking energy: -193.099
Base-Backbone interact. energy: -1.624
local terms energy: -240.891443
where:
bonds (distance) C4'-P energy: -51.913
bonds (distance) P-C4' energy: -45.903
flat angles C4'-P-C4' energy: -49.429
flat angles P-C4'-P energy: -39.421
tors. eta vs tors. theta energy: -54.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -565.799998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.799998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.799998 (E_RNA)
where:
Base-Base interactions energy: -374.367
where: short stacking energy: -173.074
Base-Backbone interact. energy: -0.407
local terms energy: -191.025429
where:
bonds (distance) C4'-P energy: -32.750
bonds (distance) P-C4' energy: -40.490
flat angles C4'-P-C4' energy: -52.456
flat angles P-C4'-P energy: -32.255
tors. eta vs tors. theta energy: -33.075
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: 6
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -447.486563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -447.486563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -447.486563 (E_RNA)
where:
Base-Base interactions energy: -271.301
where: short stacking energy: -132.703
Base-Backbone interact. energy: -1.000
local terms energy: -175.184863
where:
bonds (distance) C4'-P energy: -43.528
bonds (distance) P-C4' energy: -37.326
flat angles C4'-P-C4' energy: -41.112
flat angles P-C4'-P energy: -34.192
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -352.393339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.393339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.393339 (E_RNA)
where:
Base-Base interactions energy: -194.882
where: short stacking energy: -92.256
Base-Backbone interact. energy: 1.262
local terms energy: -158.772956
where:
bonds (distance) C4'-P energy: -39.663
bonds (distance) P-C4' energy: -53.619
flat angles C4'-P-C4' energy: -31.668
flat angles P-C4'-P energy: -34.600
tors. eta vs tors. theta energy: 0.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1059.430242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.430242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.430242 (E_RNA)
where:
Base-Base interactions energy: -733.199
where: short stacking energy: -306.116
Base-Backbone interact. energy: -0.428
local terms energy: -325.803006
where:
bonds (distance) C4'-P energy: -58.472
bonds (distance) P-C4' energy: -61.319
flat angles C4'-P-C4' energy: -59.908
flat angles P-C4'-P energy: -48.755
tors. eta vs tors. theta energy: -97.349
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: 1
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1020.363150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.363150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.363150 (E_RNA)
where:
Base-Base interactions energy: -718.101
where: short stacking energy: -293.497
Base-Backbone interact. energy: 0.563
local terms energy: -302.825356
where:
bonds (distance) C4'-P energy: -55.910
bonds (distance) P-C4' energy: -54.615
flat angles C4'-P-C4' energy: -61.188
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: -93.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -993.536990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.536990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.536990 (E_RNA)
where:
Base-Base interactions energy: -686.290
where: short stacking energy: -292.265
Base-Backbone interact. energy: -1.095
local terms energy: -306.151537
where:
bonds (distance) C4'-P energy: -63.195
bonds (distance) P-C4' energy: -51.515
flat angles C4'-P-C4' energy: -61.600
flat angles P-C4'-P energy: -42.296
tors. eta vs tors. theta energy: -87.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -913.101709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.101709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.101709 (E_RNA)
where:
Base-Base interactions energy: -620.338
where: short stacking energy: -268.388
Base-Backbone interact. energy: -0.266
local terms energy: -292.497590
where:
bonds (distance) C4'-P energy: -54.779
bonds (distance) P-C4' energy: -54.951
flat angles C4'-P-C4' energy: -65.869
flat angles P-C4'-P energy: -35.495
tors. eta vs tors. theta energy: -81.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -878.611479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.611479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.611479 (E_RNA)
where:
Base-Base interactions energy: -593.656
where: short stacking energy: -259.848
Base-Backbone interact. energy: 1.586
local terms energy: -286.541388
where:
bonds (distance) C4'-P energy: -50.105
bonds (distance) P-C4' energy: -48.600
flat angles C4'-P-C4' energy: -67.343
flat angles P-C4'-P energy: -37.432
tors. eta vs tors. theta energy: -83.062
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: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -793.402077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -793.402077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -793.402077 (E_RNA)
where:
Base-Base interactions energy: -549.281
where: short stacking energy: -249.619
Base-Backbone interact. energy: -1.173
local terms energy: -242.948295
where:
bonds (distance) C4'-P energy: -41.481
bonds (distance) P-C4' energy: -42.823
flat angles C4'-P-C4' energy: -49.284
flat angles P-C4'-P energy: -31.229
tors. eta vs tors. theta energy: -78.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -751.087984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.087984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.087984 (E_RNA)
where:
Base-Base interactions energy: -495.784
where: short stacking energy: -222.556
Base-Backbone interact. energy: -0.073
local terms energy: -255.231655
where:
bonds (distance) C4'-P energy: -50.390
bonds (distance) P-C4' energy: -47.911
flat angles C4'-P-C4' energy: -57.687
flat angles P-C4'-P energy: -38.320
tors. eta vs tors. theta energy: -60.924
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: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -557.732717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.732717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.732717 (E_RNA)
where:
Base-Base interactions energy: -355.320
where: short stacking energy: -170.395
Base-Backbone interact. energy: -0.830
local terms energy: -201.582738
where:
bonds (distance) C4'-P energy: -39.759
bonds (distance) P-C4' energy: -48.453
flat angles C4'-P-C4' energy: -49.617
flat angles P-C4'-P energy: -22.663
tors. eta vs tors. theta energy: -41.090
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: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -455.930318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.930318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.930318 (E_RNA)
where:
Base-Base interactions energy: -258.284
where: short stacking energy: -134.025
Base-Backbone interact. energy: -0.604
local terms energy: -197.042931
where:
bonds (distance) C4'-P energy: -40.609
bonds (distance) P-C4' energy: -53.924
flat angles C4'-P-C4' energy: -43.621
flat angles P-C4'-P energy: -28.980
tors. eta vs tors. theta energy: -29.909
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: 3
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -359.331963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.331963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.331963 (E_RNA)
where:
Base-Base interactions energy: -195.019
where: short stacking energy: -108.108
Base-Backbone interact. energy: 0.857
local terms energy: -165.169518
where:
bonds (distance) C4'-P energy: -41.188
bonds (distance) P-C4' energy: -50.508
flat angles C4'-P-C4' energy: -33.933
flat angles P-C4'-P energy: -29.304
tors. eta vs tors. theta energy: -10.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1035.645768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.645768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.645768 (E_RNA)
where:
Base-Base interactions energy: -708.279
where: short stacking energy: -315.137
Base-Backbone interact. energy: -1.399
local terms energy: -325.967354
where:
bonds (distance) C4'-P energy: -64.331
bonds (distance) P-C4' energy: -57.315
flat angles C4'-P-C4' energy: -63.312
flat angles P-C4'-P energy: -45.713
tors. eta vs tors. theta energy: -95.295
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: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1044.274040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.274040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.274040 (E_RNA)
where:
Base-Base interactions energy: -730.272
where: short stacking energy: -309.421
Base-Backbone interact. energy: -0.838
local terms energy: -313.164691
where:
bonds (distance) C4'-P energy: -59.134
bonds (distance) P-C4' energy: -48.588
flat angles C4'-P-C4' energy: -66.952
flat angles P-C4'-P energy: -45.716
tors. eta vs tors. theta energy: -92.774
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: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -985.077104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.077104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.077104 (E_RNA)
where:
Base-Base interactions energy: -686.495
where: short stacking energy: -289.577
Base-Backbone interact. energy: -0.637
local terms energy: -297.944996
where:
bonds (distance) C4'-P energy: -47.264
bonds (distance) P-C4' energy: -57.203
flat angles C4'-P-C4' energy: -58.647
flat angles P-C4'-P energy: -44.404
tors. eta vs tors. theta energy: -90.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -911.751628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.751628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.751628 (E_RNA)
where:
Base-Base interactions energy: -633.968
where: short stacking energy: -279.685
Base-Backbone interact. energy: -0.380
local terms energy: -277.403091
where:
bonds (distance) C4'-P energy: -46.634
bonds (distance) P-C4' energy: -51.344
flat angles C4'-P-C4' energy: -66.402
flat angles P-C4'-P energy: -33.748
tors. eta vs tors. theta energy: -79.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -856.904207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.904207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.904207 (E_RNA)
where:
Base-Base interactions energy: -583.850
where: short stacking energy: -267.037
Base-Backbone interact. energy: -0.700
local terms energy: -272.354195
where:
bonds (distance) C4'-P energy: -49.751
bonds (distance) P-C4' energy: -47.301
flat angles C4'-P-C4' energy: -57.691
flat angles P-C4'-P energy: -40.984
tors. eta vs tors. theta energy: -76.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -791.820265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.820265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.820265 (E_RNA)
where:
Base-Base interactions energy: -537.530
where: short stacking energy: -239.847
Base-Backbone interact. energy: -0.966
local terms energy: -253.323979
where:
bonds (distance) C4'-P energy: -53.325
bonds (distance) P-C4' energy: -47.492
flat angles C4'-P-C4' energy: -58.267
flat angles P-C4'-P energy: -31.003
tors. eta vs tors. theta energy: -63.236
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: 10
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -724.917670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.917670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.917670 (E_RNA)
where:
Base-Base interactions energy: -492.598
where: short stacking energy: -202.415
Base-Backbone interact. energy: -2.087
local terms energy: -230.233024
where:
bonds (distance) C4'-P energy: -38.869
bonds (distance) P-C4' energy: -46.383
flat angles C4'-P-C4' energy: -51.077
flat angles P-C4'-P energy: -30.707
tors. eta vs tors. theta energy: -63.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -543.542472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.542472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.542472 (E_RNA)
where:
Base-Base interactions energy: -345.047
where: short stacking energy: -154.770
Base-Backbone interact. energy: 0.759
local terms energy: -199.254839
where:
bonds (distance) C4'-P energy: -41.835
bonds (distance) P-C4' energy: -50.593
flat angles C4'-P-C4' energy: -52.806
flat angles P-C4'-P energy: -24.067
tors. eta vs tors. theta energy: -29.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -349.247127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.247127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.247127 (E_RNA)
where:
Base-Base interactions energy: -189.238
where: short stacking energy: -108.320
Base-Backbone interact. energy: -2.866
local terms energy: -157.142824
where:
bonds (distance) C4'-P energy: -50.885
bonds (distance) P-C4' energy: -46.905
flat angles C4'-P-C4' energy: -40.984
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -7.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -449.851357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.851357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.851357 (E_RNA)
where:
Base-Base interactions energy: -262.931
where: short stacking energy: -128.420
Base-Backbone interact. energy: 0.823
local terms energy: -187.743131
where:
bonds (distance) C4'-P energy: -49.537
bonds (distance) P-C4' energy: -44.166
flat angles C4'-P-C4' energy: -43.806
flat angles P-C4'-P energy: -26.281
tors. eta vs tors. theta energy: -23.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1026.422152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.422152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.422152 (E_RNA)
where:
Base-Base interactions energy: -719.760
where: short stacking energy: -312.984
Base-Backbone interact. energy: -0.396
local terms energy: -306.265841
where:
bonds (distance) C4'-P energy: -55.082
bonds (distance) P-C4' energy: -53.998
flat angles C4'-P-C4' energy: -62.527
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -93.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1040.442827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.442827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.442827 (E_RNA)
where:
Base-Base interactions energy: -726.658
where: short stacking energy: -310.247
Base-Backbone interact. energy: -1.169
local terms energy: -312.615814
where:
bonds (distance) C4'-P energy: -54.675
bonds (distance) P-C4' energy: -56.709
flat angles C4'-P-C4' energy: -64.642
flat angles P-C4'-P energy: -46.055
tors. eta vs tors. theta energy: -90.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -958.142141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.142141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.142141 (E_RNA)
where:
Base-Base interactions energy: -668.976
where: short stacking energy: -289.981
Base-Backbone interact. energy: -1.150
local terms energy: -288.016697
where:
bonds (distance) C4'-P energy: -53.684
bonds (distance) P-C4' energy: -45.358
flat angles C4'-P-C4' energy: -64.428
flat angles P-C4'-P energy: -42.964
tors. eta vs tors. theta energy: -81.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -885.645622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.645622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.645622 (E_RNA)
where:
Base-Base interactions energy: -610.210
where: short stacking energy: -284.588
Base-Backbone interact. energy: 0.730
local terms energy: -276.165028
where:
bonds (distance) C4'-P energy: -48.708
bonds (distance) P-C4' energy: -46.990
flat angles C4'-P-C4' energy: -65.227
flat angles P-C4'-P energy: -35.587
tors. eta vs tors. theta energy: -79.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -877.301630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.301630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.301630 (E_RNA)
where:
Base-Base interactions energy: -592.636
where: short stacking energy: -254.541
Base-Backbone interact. energy: -1.893
local terms energy: -282.773057
where:
bonds (distance) C4'-P energy: -51.070
bonds (distance) P-C4' energy: -53.735
flat angles C4'-P-C4' energy: -56.370
flat angles P-C4'-P energy: -39.753
tors. eta vs tors. theta energy: -81.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -815.646476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.646476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.646476 (E_RNA)
where:
Base-Base interactions energy: -564.185
where: short stacking energy: -240.791
Base-Backbone interact. energy: 0.512
local terms energy: -251.974239
where:
bonds (distance) C4'-P energy: -43.353
bonds (distance) P-C4' energy: -48.629
flat angles C4'-P-C4' energy: -51.697
flat angles P-C4'-P energy: -48.183
tors. eta vs tors. theta energy: -60.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -693.088848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.088848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.088848 (E_RNA)
where:
Base-Base interactions energy: -447.696
where: short stacking energy: -205.953
Base-Backbone interact. energy: -1.085
local terms energy: -244.308744
where:
bonds (distance) C4'-P energy: -51.216
bonds (distance) P-C4' energy: -50.123
flat angles C4'-P-C4' energy: -56.696
flat angles P-C4'-P energy: -33.032
tors. eta vs tors. theta energy: -53.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -563.402715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.402715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.402715 (E_RNA)
where:
Base-Base interactions energy: -358.220
where: short stacking energy: -162.012
Base-Backbone interact. energy: 0.198
local terms energy: -205.380041
where:
bonds (distance) C4'-P energy: -48.381
bonds (distance) P-C4' energy: -46.446
flat angles C4'-P-C4' energy: -50.534
flat angles P-C4'-P energy: -23.514
tors. eta vs tors. theta energy: -36.506
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: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -344.498041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -344.498041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -344.498041 (E_RNA)
where:
Base-Base interactions energy: -166.625
where: short stacking energy: -98.781
Base-Backbone interact. energy: -1.277
local terms energy: -176.596217
where:
bonds (distance) C4'-P energy: -54.291
bonds (distance) P-C4' energy: -49.506
flat angles C4'-P-C4' energy: -44.794
flat angles P-C4'-P energy: -29.877
tors. eta vs tors. theta energy: 1.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -451.518817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -451.518817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -451.518817 (E_RNA)
where:
Base-Base interactions energy: -270.675
where: short stacking energy: -139.722
Base-Backbone interact. energy: 0.109
local terms energy: -180.952718
where:
bonds (distance) C4'-P energy: -47.019
bonds (distance) P-C4' energy: -36.230
flat angles C4'-P-C4' energy: -38.814
flat angles P-C4'-P energy: -29.251
tors. eta vs tors. theta energy: -29.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1029.364534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.364534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.364534 (E_RNA)
where:
Base-Base interactions energy: -715.596
where: short stacking energy: -306.399
Base-Backbone interact. energy: -1.764
local terms energy: -312.004235
where:
bonds (distance) C4'-P energy: -54.176
bonds (distance) P-C4' energy: -58.054
flat angles C4'-P-C4' energy: -68.430
flat angles P-C4'-P energy: -40.626
tors. eta vs tors. theta energy: -90.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1034.261331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.261331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.261331 (E_RNA)
where:
Base-Base interactions energy: -724.947
where: short stacking energy: -305.867
Base-Backbone interact. energy: 0.035
local terms energy: -309.349987
where:
bonds (distance) C4'-P energy: -51.091
bonds (distance) P-C4' energy: -50.039
flat angles C4'-P-C4' energy: -62.588
flat angles P-C4'-P energy: -44.153
tors. eta vs tors. theta energy: -101.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -972.457037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.457037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.457037 (E_RNA)
where:
Base-Base interactions energy: -685.979
where: short stacking energy: -276.874
Base-Backbone interact. energy: -0.699
local terms energy: -285.778682
where:
bonds (distance) C4'-P energy: -47.484
bonds (distance) P-C4' energy: -54.997
flat angles C4'-P-C4' energy: -63.687
flat angles P-C4'-P energy: -39.249
tors. eta vs tors. theta energy: -80.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -913.953123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.953123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.953123 (E_RNA)
where:
Base-Base interactions energy: -631.316
where: short stacking energy: -281.680
Base-Backbone interact. energy: -2.056
local terms energy: -280.581325
where:
bonds (distance) C4'-P energy: -50.221
bonds (distance) P-C4' energy: -49.882
flat angles C4'-P-C4' energy: -54.421
flat angles P-C4'-P energy: -41.186
tors. eta vs tors. theta energy: -84.871
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: 2
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -883.499975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.499975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.499975 (E_RNA)
where:
Base-Base interactions energy: -602.640
where: short stacking energy: -264.990
Base-Backbone interact. energy: -1.719
local terms energy: -279.140715
where:
bonds (distance) C4'-P energy: -39.766
bonds (distance) P-C4' energy: -58.123
flat angles C4'-P-C4' energy: -62.207
flat angles P-C4'-P energy: -38.216
tors. eta vs tors. theta energy: -80.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -820.628262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.628262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.628262 (E_RNA)
where:
Base-Base interactions energy: -558.911
where: short stacking energy: -248.305
Base-Backbone interact. energy: -0.662
local terms energy: -261.055364
where:
bonds (distance) C4'-P energy: -43.592
bonds (distance) P-C4' energy: -60.146
flat angles C4'-P-C4' energy: -51.914
flat angles P-C4'-P energy: -29.122
tors. eta vs tors. theta energy: -76.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -601.773826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.773826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.773826 (E_RNA)
where:
Base-Base interactions energy: -375.050
where: short stacking energy: -185.337
Base-Backbone interact. energy: -0.427
local terms energy: -226.297208
where:
bonds (distance) C4'-P energy: -45.647
bonds (distance) P-C4' energy: -44.214
flat angles C4'-P-C4' energy: -46.786
flat angles P-C4'-P energy: -36.412
tors. eta vs tors. theta energy: -53.239
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: 10
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -671.499614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -671.499614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -671.499614 (E_RNA)
where:
Base-Base interactions energy: -445.253
where: short stacking energy: -192.933
Base-Backbone interact. energy: -1.746
local terms energy: -224.500851
where:
bonds (distance) C4'-P energy: -50.186
bonds (distance) P-C4' energy: -46.127
flat angles C4'-P-C4' energy: -59.475
flat angles P-C4'-P energy: -23.088
tors. eta vs tors. theta energy: -45.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -426.459455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.459455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.459455 (E_RNA)
where:
Base-Base interactions energy: -229.483
where: short stacking energy: -119.228
Base-Backbone interact. energy: -1.533
local terms energy: -195.443434
where:
bonds (distance) C4'-P energy: -40.269
bonds (distance) P-C4' energy: -51.068
flat angles C4'-P-C4' energy: -54.173
flat angles P-C4'-P energy: -31.386
tors. eta vs tors. theta energy: -18.547
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: 3
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -356.697455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.697455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.697455 (E_RNA)
where:
Base-Base interactions energy: -186.818
where: short stacking energy: -110.307
Base-Backbone interact. energy: 2.470
local terms energy: -172.349455
where:
bonds (distance) C4'-P energy: -49.928
bonds (distance) P-C4' energy: -53.118
flat angles C4'-P-C4' energy: -43.438
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1022.831779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.831779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.831779 (E_RNA)
where:
Base-Base interactions energy: -714.113
where: short stacking energy: -281.671
Base-Backbone interact. energy: -1.408
local terms energy: -307.310807
where:
bonds (distance) C4'-P energy: -54.758
bonds (distance) P-C4' energy: -51.888
flat angles C4'-P-C4' energy: -63.272
flat angles P-C4'-P energy: -50.464
tors. eta vs tors. theta energy: -86.930
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: 2, replica: 4
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -987.971490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.971490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.971490 (E_RNA)
where:
Base-Base interactions energy: -677.574
where: short stacking energy: -297.185
Base-Backbone interact. energy: -1.957
local terms energy: -308.440490
where:
bonds (distance) C4'-P energy: -56.378
bonds (distance) P-C4' energy: -55.665
flat angles C4'-P-C4' energy: -65.318
flat angles P-C4'-P energy: -42.677
tors. eta vs tors. theta energy: -88.403
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: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1001.675076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.675076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.675076 (E_RNA)
where:
Base-Base interactions energy: -699.414
where: short stacking energy: -286.680
Base-Backbone interact. energy: -0.965
local terms energy: -301.296017
where:
bonds (distance) C4'-P energy: -46.193
bonds (distance) P-C4' energy: -63.919
flat angles C4'-P-C4' energy: -62.584
flat angles P-C4'-P energy: -36.614
tors. eta vs tors. theta energy: -91.986
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: 2
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -915.673408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -915.673408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -915.673408 (E_RNA)
where:
Base-Base interactions energy: -622.964
where: short stacking energy: -273.492
Base-Backbone interact. energy: -0.027
local terms energy: -292.682340
where:
bonds (distance) C4'-P energy: -52.621
bonds (distance) P-C4' energy: -51.355
flat angles C4'-P-C4' energy: -62.153
flat angles P-C4'-P energy: -43.001
tors. eta vs tors. theta energy: -83.552
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: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -870.699129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.699129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.699129 (E_RNA)
where:
Base-Base interactions energy: -605.453
where: short stacking energy: -265.800
Base-Backbone interact. energy: 4.712
local terms energy: -269.958397
where:
bonds (distance) C4'-P energy: -46.017
bonds (distance) P-C4' energy: -50.153
flat angles C4'-P-C4' energy: -58.775
flat angles P-C4'-P energy: -41.204
tors. eta vs tors. theta energy: -73.810
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: 5
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -829.060212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.060212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.060212 (E_RNA)
where:
Base-Base interactions energy: -580.337
where: short stacking energy: -236.615
Base-Backbone interact. energy: 0.225
local terms energy: -248.948280
where:
bonds (distance) C4'-P energy: -51.449
bonds (distance) P-C4' energy: -43.468
flat angles C4'-P-C4' energy: -53.563
flat angles P-C4'-P energy: -32.992
tors. eta vs tors. theta energy: -67.477
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: 9
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -563.354517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.354517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.354517 (E_RNA)
where:
Base-Base interactions energy: -347.552
where: short stacking energy: -158.788
Base-Backbone interact. energy: -1.296
local terms energy: -214.506550
where:
bonds (distance) C4'-P energy: -52.123
bonds (distance) P-C4' energy: -42.455
flat angles C4'-P-C4' energy: -52.598
flat angles P-C4'-P energy: -34.065
tors. eta vs tors. theta energy: -33.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -647.275033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.275033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.275033 (E_RNA)
where:
Base-Base interactions energy: -425.848
where: short stacking energy: -185.403
Base-Backbone interact. energy: -1.412
local terms energy: -220.014916
where:
bonds (distance) C4'-P energy: -46.376
bonds (distance) P-C4' energy: -48.428
flat angles C4'-P-C4' energy: -58.747
flat angles P-C4'-P energy: -21.269
tors. eta vs tors. theta energy: -45.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -459.523894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.523894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.523894 (E_RNA)
where:
Base-Base interactions energy: -262.732
where: short stacking energy: -131.509
Base-Backbone interact. energy: -0.113
local terms energy: -196.679295
where:
bonds (distance) C4'-P energy: -44.498
bonds (distance) P-C4' energy: -46.680
flat angles C4'-P-C4' energy: -51.094
flat angles P-C4'-P energy: -36.912
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -359.815809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.815809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.815809 (E_RNA)
where:
Base-Base interactions energy: -180.832
where: short stacking energy: -117.121
Base-Backbone interact. energy: 0.195
local terms energy: -179.178244
where:
bonds (distance) C4'-P energy: -35.361
bonds (distance) P-C4' energy: -52.441
flat angles C4'-P-C4' energy: -48.936
flat angles P-C4'-P energy: -18.991
tors. eta vs tors. theta energy: -23.450
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: 1
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1010.996767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.996767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.996767 (E_RNA)
where:
Base-Base interactions energy: -700.590
where: short stacking energy: -292.157
Base-Backbone interact. energy: -2.836
local terms energy: -307.571233
where:
bonds (distance) C4'-P energy: -53.345
bonds (distance) P-C4' energy: -62.333
flat angles C4'-P-C4' energy: -65.008
flat angles P-C4'-P energy: -33.222
tors. eta vs tors. theta energy: -93.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -989.443817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.443817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.443817 (E_RNA)
where:
Base-Base interactions energy: -693.357
where: short stacking energy: -290.487
Base-Backbone interact. energy: -0.881
local terms energy: -295.205106
where:
bonds (distance) C4'-P energy: -52.297
bonds (distance) P-C4' energy: -58.456
flat angles C4'-P-C4' energy: -64.446
flat angles P-C4'-P energy: -33.673
tors. eta vs tors. theta energy: -86.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1001.521972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.521972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.521972 (E_RNA)
where:
Base-Base interactions energy: -694.351
where: short stacking energy: -291.521
Base-Backbone interact. energy: -2.002
local terms energy: -305.168526
where:
bonds (distance) C4'-P energy: -49.886
bonds (distance) P-C4' energy: -55.246
flat angles C4'-P-C4' energy: -63.890
flat angles P-C4'-P energy: -42.434
tors. eta vs tors. theta energy: -93.712
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: 2
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -911.563344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.563344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.563344 (E_RNA)
where:
Base-Base interactions energy: -628.802
where: short stacking energy: -281.723
Base-Backbone interact. energy: -2.167
local terms energy: -280.594070
where:
bonds (distance) C4'-P energy: -54.512
bonds (distance) P-C4' energy: -50.528
flat angles C4'-P-C4' energy: -60.946
flat angles P-C4'-P energy: -34.312
tors. eta vs tors. theta energy: -80.295
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: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -872.075838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.075838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.075838 (E_RNA)
where:
Base-Base interactions energy: -602.643
where: short stacking energy: -270.655
Base-Backbone interact. energy: -0.191
local terms energy: -269.241689
where:
bonds (distance) C4'-P energy: -50.506
bonds (distance) P-C4' energy: -52.393
flat angles C4'-P-C4' energy: -55.129
flat angles P-C4'-P energy: -39.738
tors. eta vs tors. theta energy: -71.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -824.833338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.833338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.833338 (E_RNA)
where:
Base-Base interactions energy: -576.782
where: short stacking energy: -253.436
Base-Backbone interact. energy: -0.503
local terms energy: -247.547868
where:
bonds (distance) C4'-P energy: -41.871
bonds (distance) P-C4' energy: -55.574
flat angles C4'-P-C4' energy: -53.155
flat angles P-C4'-P energy: -24.462
tors. eta vs tors. theta energy: -72.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -622.398811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -622.398811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -622.398811 (E_RNA)
where:
Base-Base interactions energy: -398.365
where: short stacking energy: -194.882
Base-Backbone interact. energy: -0.917
local terms energy: -223.116630
where:
bonds (distance) C4'-P energy: -41.353
bonds (distance) P-C4' energy: -55.023
flat angles C4'-P-C4' energy: -48.056
flat angles P-C4'-P energy: -32.651
tors. eta vs tors. theta energy: -46.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -559.808599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.808599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.808599 (E_RNA)
where:
Base-Base interactions energy: -342.738
where: short stacking energy: -155.386
Base-Backbone interact. energy: 0.304
local terms energy: -217.374899
where:
bonds (distance) C4'-P energy: -47.131
bonds (distance) P-C4' energy: -48.941
flat angles C4'-P-C4' energy: -40.330
flat angles P-C4'-P energy: -40.915
tors. eta vs tors. theta energy: -40.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -481.427026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -481.427026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -481.427026 (E_RNA)
where:
Base-Base interactions energy: -287.292
where: short stacking energy: -144.227
Base-Backbone interact. energy: -0.897
local terms energy: -193.238383
where:
bonds (distance) C4'-P energy: -47.784
bonds (distance) P-C4' energy: -49.525
flat angles C4'-P-C4' energy: -45.839
flat angles P-C4'-P energy: -23.226
tors. eta vs tors. theta energy: -26.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -362.631408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -362.631408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -362.631408 (E_RNA)
where:
Base-Base interactions energy: -198.991
where: short stacking energy: -108.701
Base-Backbone interact. energy: 1.315
local terms energy: -164.956013
where:
bonds (distance) C4'-P energy: -46.407
bonds (distance) P-C4' energy: -43.528
flat angles C4'-P-C4' energy: -47.307
flat angles P-C4'-P energy: -16.551
tors. eta vs tors. theta energy: -11.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1021.427187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.427187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.427187 (E_RNA)
where:
Base-Base interactions energy: -711.151
where: short stacking energy: -284.254
Base-Backbone interact. energy: -1.771
local terms energy: -308.505016
where:
bonds (distance) C4'-P energy: -52.192
bonds (distance) P-C4' energy: -57.509
flat angles C4'-P-C4' energy: -60.089
flat angles P-C4'-P energy: -47.550
tors. eta vs tors. theta energy: -91.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1011.822699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.822699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.822699 (E_RNA)
where:
Base-Base interactions energy: -701.696
where: short stacking energy: -290.768
Base-Backbone interact. energy: -0.866
local terms energy: -309.260811
where:
bonds (distance) C4'-P energy: -53.753
bonds (distance) P-C4' energy: -51.977
flat angles C4'-P-C4' energy: -61.898
flat angles P-C4'-P energy: -45.222
tors. eta vs tors. theta energy: -96.410
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: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -964.783676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.783676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.783676 (E_RNA)
where:
Base-Base interactions energy: -679.027
where: short stacking energy: -296.529
Base-Backbone interact. energy: -1.236
local terms energy: -284.520010
where:
bonds (distance) C4'-P energy: -57.016
bonds (distance) P-C4' energy: -40.230
flat angles C4'-P-C4' energy: -61.203
flat angles P-C4'-P energy: -34.602
tors. eta vs tors. theta energy: -91.469
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: 2
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -917.713128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -917.713128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -917.713128 (E_RNA)
where:
Base-Base interactions energy: -640.388
where: short stacking energy: -272.099
Base-Backbone interact. energy: 0.639
local terms energy: -277.964119
where:
bonds (distance) C4'-P energy: -41.380
bonds (distance) P-C4' energy: -45.460
flat angles C4'-P-C4' energy: -64.209
flat angles P-C4'-P energy: -45.844
tors. eta vs tors. theta energy: -81.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -852.257355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.257355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.257355 (E_RNA)
where:
Base-Base interactions energy: -588.265
where: short stacking energy: -258.712
Base-Backbone interact. energy: -1.408
local terms energy: -262.584915
where:
bonds (distance) C4'-P energy: -47.950
bonds (distance) P-C4' energy: -55.251
flat angles C4'-P-C4' energy: -43.218
flat angles P-C4'-P energy: -40.647
tors. eta vs tors. theta energy: -75.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -807.796717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.796717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.796717 (E_RNA)
where:
Base-Base interactions energy: -562.169
where: short stacking energy: -255.352
Base-Backbone interact. energy: -0.875
local terms energy: -244.752863
where:
bonds (distance) C4'-P energy: -39.945
bonds (distance) P-C4' energy: -46.776
flat angles C4'-P-C4' energy: -56.752
flat angles P-C4'-P energy: -26.014
tors. eta vs tors. theta energy: -75.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -632.909636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.909636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.909636 (E_RNA)
where:
Base-Base interactions energy: -405.934
where: short stacking energy: -190.115
Base-Backbone interact. energy: 1.212
local terms energy: -228.187328
where:
bonds (distance) C4'-P energy: -45.442
bonds (distance) P-C4' energy: -56.203
flat angles C4'-P-C4' energy: -48.524
flat angles P-C4'-P energy: -38.447
tors. eta vs tors. theta energy: -39.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -600.862286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.862286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.862286 (E_RNA)
where:
Base-Base interactions energy: -383.855
where: short stacking energy: -182.688
Base-Backbone interact. energy: 0.677
local terms energy: -217.684687
where:
bonds (distance) C4'-P energy: -43.722
bonds (distance) P-C4' energy: -56.309
flat angles C4'-P-C4' energy: -49.223
flat angles P-C4'-P energy: -29.905
tors. eta vs tors. theta energy: -38.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -523.116719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -523.116719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -523.116719 (E_RNA)
where:
Base-Base interactions energy: -336.635
where: short stacking energy: -163.868
Base-Backbone interact. energy: 1.596
local terms energy: -188.077417
where:
bonds (distance) C4'-P energy: -48.355
bonds (distance) P-C4' energy: -41.066
flat angles C4'-P-C4' energy: -47.400
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -37.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -379.541607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -379.541607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -379.541607 (E_RNA)
where:
Base-Base interactions energy: -197.281
where: short stacking energy: -103.099
Base-Backbone interact. energy: 1.417
local terms energy: -183.677748
where:
bonds (distance) C4'-P energy: -53.465
bonds (distance) P-C4' energy: -52.675
flat angles C4'-P-C4' energy: -43.631
flat angles P-C4'-P energy: -28.776
tors. eta vs tors. theta energy: -5.131
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: 1
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1014.855771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.855771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.855771 (E_RNA)
where:
Base-Base interactions energy: -706.423
where: short stacking energy: -290.948
Base-Backbone interact. energy: -2.922
local terms energy: -305.510524
where:
bonds (distance) C4'-P energy: -56.884
bonds (distance) P-C4' energy: -52.847
flat angles C4'-P-C4' energy: -62.013
flat angles P-C4'-P energy: -44.800
tors. eta vs tors. theta energy: -88.966
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: 2, replica: 7
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -1017.960016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.960016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.960016 (E_RNA)
where:
Base-Base interactions energy: -706.604
where: short stacking energy: -304.894
Base-Backbone interact. energy: -1.204
local terms energy: -310.152658
where:
bonds (distance) C4'-P energy: -52.382
bonds (distance) P-C4' energy: -60.062
flat angles C4'-P-C4' energy: -62.524
flat angles P-C4'-P energy: -39.926
tors. eta vs tors. theta energy: -95.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -973.869140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -973.869140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -973.869140 (E_RNA)
where:
Base-Base interactions energy: -664.235
where: short stacking energy: -280.123
Base-Backbone interact. energy: -0.948
local terms energy: -308.686060
where:
bonds (distance) C4'-P energy: -55.351
bonds (distance) P-C4' energy: -51.371
flat angles C4'-P-C4' energy: -67.723
flat angles P-C4'-P energy: -44.394
tors. eta vs tors. theta energy: -89.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -879.262229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -879.262229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -879.262229 (E_RNA)
where:
Base-Base interactions energy: -594.343
where: short stacking energy: -276.089
Base-Backbone interact. energy: -0.135
local terms energy: -284.783904
where:
bonds (distance) C4'-P energy: -50.324
bonds (distance) P-C4' energy: -53.906
flat angles C4'-P-C4' energy: -58.697
flat angles P-C4'-P energy: -37.405
tors. eta vs tors. theta energy: -84.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -886.596466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.596466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.596466 (E_RNA)
where:
Base-Base interactions energy: -613.755
where: short stacking energy: -258.327
Base-Backbone interact. energy: 0.929
local terms energy: -273.770986
where:
bonds (distance) C4'-P energy: -53.029
bonds (distance) P-C4' energy: -43.810
flat angles C4'-P-C4' energy: -60.626
flat angles P-C4'-P energy: -38.522
tors. eta vs tors. theta energy: -77.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -776.452331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.452331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.452331 (E_RNA)
where:
Base-Base interactions energy: -498.193
where: short stacking energy: -212.805
Base-Backbone interact. energy: -0.820
local terms energy: -277.439217
where:
bonds (distance) C4'-P energy: -46.060
bonds (distance) P-C4' energy: -60.109
flat angles C4'-P-C4' energy: -62.915
flat angles P-C4'-P energy: -44.931
tors. eta vs tors. theta energy: -63.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -617.646818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.646818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.646818 (E_RNA)
where:
Base-Base interactions energy: -403.473
where: short stacking energy: -188.707
Base-Backbone interact. energy: 0.218
local terms energy: -214.391113
where:
bonds (distance) C4'-P energy: -42.976
bonds (distance) P-C4' energy: -49.209
flat angles C4'-P-C4' energy: -52.819
flat angles P-C4'-P energy: -22.363
tors. eta vs tors. theta energy: -47.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -580.061692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -580.061692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -580.061692 (E_RNA)
where:
Base-Base interactions energy: -386.024
where: short stacking energy: -183.463
Base-Backbone interact. energy: -2.265
local terms energy: -191.772829
where:
bonds (distance) C4'-P energy: -37.542
bonds (distance) P-C4' energy: -43.713
flat angles C4'-P-C4' energy: -54.385
flat angles P-C4'-P energy: -19.273
tors. eta vs tors. theta energy: -36.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -548.258701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -548.258701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -548.258701 (E_RNA)
where:
Base-Base interactions energy: -351.035
where: short stacking energy: -150.642
Base-Backbone interact. energy: -0.985
local terms energy: -196.238306
where:
bonds (distance) C4'-P energy: -35.906
bonds (distance) P-C4' energy: -45.651
flat angles C4'-P-C4' energy: -52.548
flat angles P-C4'-P energy: -29.892
tors. eta vs tors. theta energy: -32.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -411.722295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -411.722295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -411.722295 (E_RNA)
where:
Base-Base interactions energy: -230.058
where: short stacking energy: -113.117
Base-Backbone interact. energy: -0.645
local terms energy: -181.018990
where:
bonds (distance) C4'-P energy: -44.317
bonds (distance) P-C4' energy: -47.410
flat angles C4'-P-C4' energy: -46.979
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -15.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1014.179437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.179437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.179437 (E_RNA)
where:
Base-Base interactions energy: -710.882
where: short stacking energy: -299.041
Base-Backbone interact. energy: 0.727
local terms energy: -304.024098
where:
bonds (distance) C4'-P energy: -50.359
bonds (distance) P-C4' energy: -59.665
flat angles C4'-P-C4' energy: -58.493
flat angles P-C4'-P energy: -42.011
tors. eta vs tors. theta energy: -93.497
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: 4
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1000.933568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.933568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.933568 (E_RNA)
where:
Base-Base interactions energy: -707.623
where: short stacking energy: -293.628
Base-Backbone interact. energy: -0.414
local terms energy: -292.897180
where:
bonds (distance) C4'-P energy: -50.374
bonds (distance) P-C4' energy: -60.874
flat angles C4'-P-C4' energy: -58.827
flat angles P-C4'-P energy: -38.889
tors. eta vs tors. theta energy: -83.933
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: 7
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1019.661994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.661994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.661994 (E_RNA)
where:
Base-Base interactions energy: -703.021
where: short stacking energy: -292.157
Base-Backbone interact. energy: -1.271
local terms energy: -315.369451
where:
bonds (distance) C4'-P energy: -52.611
bonds (distance) P-C4' energy: -53.675
flat angles C4'-P-C4' energy: -63.050
flat angles P-C4'-P energy: -44.787
tors. eta vs tors. theta energy: -101.247
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: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -895.102286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.102286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.102286 (E_RNA)
where:
Base-Base interactions energy: -629.457
where: short stacking energy: -268.659
Base-Backbone interact. energy: -0.758
local terms energy: -264.887317
where:
bonds (distance) C4'-P energy: -51.754
bonds (distance) P-C4' energy: -41.374
flat angles C4'-P-C4' energy: -55.914
flat angles P-C4'-P energy: -41.521
tors. eta vs tors. theta energy: -74.325
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: 431
Temperature: 1.100000
Total energy: -888.097823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -888.097823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -888.097823 (E_RNA)
where:
Base-Base interactions energy: -591.708
where: short stacking energy: -277.813
Base-Backbone interact. energy: -0.235
local terms energy: -296.154683
where:
bonds (distance) C4'-P energy: -55.992
bonds (distance) P-C4' energy: -50.989
flat angles C4'-P-C4' energy: -60.050
flat angles P-C4'-P energy: -46.194
tors. eta vs tors. theta energy: -82.930
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: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -789.167455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.167455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.167455 (E_RNA)
where:
Base-Base interactions energy: -527.264
where: short stacking energy: -225.156
Base-Backbone interact. energy: -0.085
local terms energy: -261.818545
where:
bonds (distance) C4'-P energy: -50.999
bonds (distance) P-C4' energy: -48.776
flat angles C4'-P-C4' energy: -58.182
flat angles P-C4'-P energy: -36.553
tors. eta vs tors. theta energy: -67.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -625.314888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.314888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.314888 (E_RNA)
where:
Base-Base interactions energy: -393.833
where: short stacking energy: -173.425
Base-Backbone interact. energy: -0.431
local terms energy: -231.050835
where:
bonds (distance) C4'-P energy: -47.834
bonds (distance) P-C4' energy: -50.760
flat angles C4'-P-C4' energy: -53.996
flat angles P-C4'-P energy: -32.381
tors. eta vs tors. theta energy: -46.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -661.203996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -661.203996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -661.203996 (E_RNA)
where:
Base-Base interactions energy: -443.263
where: short stacking energy: -185.671
Base-Backbone interact. energy: -2.108
local terms energy: -215.833828
where:
bonds (distance) C4'-P energy: -45.935
bonds (distance) P-C4' energy: -46.690
flat angles C4'-P-C4' energy: -42.563
flat angles P-C4'-P energy: -32.115
tors. eta vs tors. theta energy: -48.530
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: 6
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -531.130880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -531.130880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -531.130880 (E_RNA)
where:
Base-Base interactions energy: -328.731
where: short stacking energy: -161.391
Base-Backbone interact. energy: -0.440
local terms energy: -201.959201
where:
bonds (distance) C4'-P energy: -47.279
bonds (distance) P-C4' energy: -45.586
flat angles C4'-P-C4' energy: -43.681
flat angles P-C4'-P energy: -40.948
tors. eta vs tors. theta energy: -24.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -350.369429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.369429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.369429 (E_RNA)
where:
Base-Base interactions energy: -187.159
where: short stacking energy: -108.230
Base-Backbone interact. energy: -1.142
local terms energy: -162.068028
where:
bonds (distance) C4'-P energy: -45.262
bonds (distance) P-C4' energy: -49.074
flat angles C4'-P-C4' energy: -38.115
flat angles P-C4'-P energy: -26.100
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1025.952678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.952678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.952678 (E_RNA)
where:
Base-Base interactions energy: -724.447
where: short stacking energy: -296.366
Base-Backbone interact. energy: -0.854
local terms energy: -300.651444
where:
bonds (distance) C4'-P energy: -49.785
bonds (distance) P-C4' energy: -59.648
flat angles C4'-P-C4' energy: -61.555
flat angles P-C4'-P energy: -42.403
tors. eta vs tors. theta energy: -87.260
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: 4
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -987.442553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.442553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.442553 (E_RNA)
where:
Base-Base interactions energy: -683.932
where: short stacking energy: -287.656
Base-Backbone interact. energy: 2.021
local terms energy: -305.531885
where:
bonds (distance) C4'-P energy: -53.310
bonds (distance) P-C4' energy: -62.517
flat angles C4'-P-C4' energy: -67.959
flat angles P-C4'-P energy: -38.530
tors. eta vs tors. theta energy: -83.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -1032.077968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1032.077968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1032.077968 (E_RNA)
where:
Base-Base interactions energy: -708.925
where: short stacking energy: -307.170
Base-Backbone interact. energy: -1.334
local terms energy: -321.818864
where:
bonds (distance) C4'-P energy: -48.213
bonds (distance) P-C4' energy: -59.219
flat angles C4'-P-C4' energy: -69.029
flat angles P-C4'-P energy: -42.126
tors. eta vs tors. theta energy: -103.232
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: 4, replica: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -890.090904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.090904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.090904 (E_RNA)
where:
Base-Base interactions energy: -609.749
where: short stacking energy: -276.869
Base-Backbone interact. energy: -1.346
local terms energy: -278.996454
where:
bonds (distance) C4'-P energy: -46.202
bonds (distance) P-C4' energy: -59.152
flat angles C4'-P-C4' energy: -58.335
flat angles P-C4'-P energy: -37.679
tors. eta vs tors. theta energy: -77.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -890.032490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.032490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.032490 (E_RNA)
where:
Base-Base interactions energy: -627.473
where: short stacking energy: -281.894
Base-Backbone interact. energy: -0.721
local terms energy: -261.838144
where:
bonds (distance) C4'-P energy: -40.907
bonds (distance) P-C4' energy: -42.501
flat angles C4'-P-C4' energy: -59.970
flat angles P-C4'-P energy: -35.465
tors. eta vs tors. theta energy: -82.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -795.849897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.849897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.849897 (E_RNA)
where:
Base-Base interactions energy: -535.820
where: short stacking energy: -234.714
Base-Backbone interact. energy: -0.815
local terms energy: -259.214646
where:
bonds (distance) C4'-P energy: -49.550
bonds (distance) P-C4' energy: -49.181
flat angles C4'-P-C4' energy: -62.132
flat angles P-C4'-P energy: -27.722
tors. eta vs tors. theta energy: -70.630
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: 7, replica: 10
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -652.439796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -652.439796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -652.439796 (E_RNA)
where:
Base-Base interactions energy: -414.152
where: short stacking energy: -194.102
Base-Backbone interact. energy: -1.336
local terms energy: -236.951597
where:
bonds (distance) C4'-P energy: -51.822
bonds (distance) P-C4' energy: -51.273
flat angles C4'-P-C4' energy: -55.563
flat angles P-C4'-P energy: -38.049
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: 8, replica: 9
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -610.055555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.055555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.055555 (E_RNA)
where:
Base-Base interactions energy: -390.460
where: short stacking energy: -174.839
Base-Backbone interact. energy: 1.795
local terms energy: -221.389997
where:
bonds (distance) C4'-P energy: -50.316
bonds (distance) P-C4' energy: -47.625
flat angles C4'-P-C4' energy: -47.465
flat angles P-C4'-P energy: -41.989
tors. eta vs tors. theta energy: -33.995
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: 9, replica: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -520.618605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.618605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.618605 (E_RNA)
where:
Base-Base interactions energy: -331.856
where: short stacking energy: -148.952
Base-Backbone interact. energy: -1.359
local terms energy: -187.402807
where:
bonds (distance) C4'-P energy: -49.909
bonds (distance) P-C4' energy: -53.166
flat angles C4'-P-C4' energy: -37.600
flat angles P-C4'-P energy: -20.439
tors. eta vs tors. theta energy: -26.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -393.580451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -393.580451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -393.580451 (E_RNA)
where:
Base-Base interactions energy: -244.974
where: short stacking energy: -134.083
Base-Backbone interact. energy: 0.515
local terms energy: -149.121382
where:
bonds (distance) C4'-P energy: -39.979
bonds (distance) P-C4' energy: -34.335
flat angles C4'-P-C4' energy: -29.057
flat angles P-C4'-P energy: -33.017
tors. eta vs tors. theta energy: -12.733
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: 1
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -1012.715458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.715458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.715458 (E_RNA)
where:
Base-Base interactions energy: -695.811
where: short stacking energy: -285.633
Base-Backbone interact. energy: -1.873
local terms energy: -315.031965
where:
bonds (distance) C4'-P energy: -59.908
bonds (distance) P-C4' energy: -60.862
flat angles C4'-P-C4' energy: -58.739
flat angles P-C4'-P energy: -44.738
tors. eta vs tors. theta energy: -90.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1038.357341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.357341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.357341 (E_RNA)
where:
Base-Base interactions energy: -722.963
where: short stacking energy: -302.040
Base-Backbone interact. energy: 1.043
local terms energy: -316.437538
where:
bonds (distance) C4'-P energy: -56.366
bonds (distance) P-C4' energy: -58.638
flat angles C4'-P-C4' energy: -54.730
flat angles P-C4'-P energy: -43.952
tors. eta vs tors. theta energy: -102.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -974.552710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.552710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.552710 (E_RNA)
where:
Base-Base interactions energy: -685.629
where: short stacking energy: -302.092
Base-Backbone interact. energy: -0.535
local terms energy: -288.389166
where:
bonds (distance) C4'-P energy: -55.442
bonds (distance) P-C4' energy: -47.792
flat angles C4'-P-C4' energy: -64.490
flat angles P-C4'-P energy: -34.527
tors. eta vs tors. theta energy: -86.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -925.826382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -925.826382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -925.826382 (E_RNA)
where:
Base-Base interactions energy: -640.533
where: short stacking energy: -275.413
Base-Backbone interact. energy: -0.502
local terms energy: -284.791368
where:
bonds (distance) C4'-P energy: -54.364
bonds (distance) P-C4' energy: -43.929
flat angles C4'-P-C4' energy: -60.882
flat angles P-C4'-P energy: -46.150
tors. eta vs tors. theta energy: -79.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -874.686699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.686699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.686699 (E_RNA)
where:
Base-Base interactions energy: -580.584
where: short stacking energy: -258.600
Base-Backbone interact. energy: 0.418
local terms energy: -294.520593
where:
bonds (distance) C4'-P energy: -59.787
bonds (distance) P-C4' energy: -58.083
flat angles C4'-P-C4' energy: -56.720
flat angles P-C4'-P energy: -47.680
tors. eta vs tors. theta energy: -72.251
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: 433
Temperature: 1.150000
Total energy: -794.050165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.050165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.050165 (E_RNA)
where:
Base-Base interactions energy: -535.731
where: short stacking energy: -228.014
Base-Backbone interact. energy: 4.270
local terms energy: -262.588523
where:
bonds (distance) C4'-P energy: -47.208
bonds (distance) P-C4' energy: -52.439
flat angles C4'-P-C4' energy: -50.493
flat angles P-C4'-P energy: -39.233
tors. eta vs tors. theta energy: -73.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -672.903537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -672.903537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -672.903537 (E_RNA)
where:
Base-Base interactions energy: -447.278
where: short stacking energy: -209.323
Base-Backbone interact. energy: -2.509
local terms energy: -223.116798
where:
bonds (distance) C4'-P energy: -34.378
bonds (distance) P-C4' energy: -42.650
flat angles C4'-P-C4' energy: -60.967
flat angles P-C4'-P energy: -36.360
tors. eta vs tors. theta energy: -48.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -563.743053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -563.743053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -563.743053 (E_RNA)
where:
Base-Base interactions energy: -344.305
where: short stacking energy: -166.316
Base-Backbone interact. energy: -0.811
local terms energy: -218.627610
where:
bonds (distance) C4'-P energy: -49.793
bonds (distance) P-C4' energy: -54.174
flat angles C4'-P-C4' energy: -43.999
flat angles P-C4'-P energy: -38.644
tors. eta vs tors. theta energy: -32.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -589.378468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.378468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.378468 (E_RNA)
where:
Base-Base interactions energy: -376.596
where: short stacking energy: -169.294
Base-Backbone interact. energy: -1.060
local terms energy: -211.721754
where:
bonds (distance) C4'-P energy: -45.480
bonds (distance) P-C4' energy: -50.409
flat angles C4'-P-C4' energy: -53.934
flat angles P-C4'-P energy: -27.949
tors. eta vs tors. theta energy: -33.950
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: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -349.139237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.139237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.139237 (E_RNA)
where:
Base-Base interactions energy: -186.946
where: short stacking energy: -105.675
Base-Backbone interact. energy: 0.115
local terms energy: -162.308434
where:
bonds (distance) C4'-P energy: -44.369
bonds (distance) P-C4' energy: -38.962
flat angles C4'-P-C4' energy: -36.370
flat angles P-C4'-P energy: -34.413
tors. eta vs tors. theta energy: -8.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1033.835577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1033.835577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1033.835577 (E_RNA)
where:
Base-Base interactions energy: -713.790
where: short stacking energy: -311.211
Base-Backbone interact. energy: 0.586
local terms energy: -320.632239
where:
bonds (distance) C4'-P energy: -59.360
bonds (distance) P-C4' energy: -60.990
flat angles C4'-P-C4' energy: -60.726
flat angles P-C4'-P energy: -43.546
tors. eta vs tors. theta energy: -96.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -979.964668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.964668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.964668 (E_RNA)
where:
Base-Base interactions energy: -680.237
where: short stacking energy: -293.508
Base-Backbone interact. energy: 0.147
local terms energy: -299.874998
where:
bonds (distance) C4'-P energy: -50.252
bonds (distance) P-C4' energy: -63.416
flat angles C4'-P-C4' energy: -66.992
flat angles P-C4'-P energy: -33.384
tors. eta vs tors. theta energy: -85.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -976.478993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.478993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.478993 (E_RNA)
where:
Base-Base interactions energy: -677.958
where: short stacking energy: -288.937
Base-Backbone interact. energy: -1.649
local terms energy: -296.872565
where:
bonds (distance) C4'-P energy: -57.088
bonds (distance) P-C4' energy: -46.653
flat angles C4'-P-C4' energy: -58.925
flat angles P-C4'-P energy: -49.175
tors. eta vs tors. theta energy: -85.031
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: 2
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -937.672123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.672123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.672123 (E_RNA)
where:
Base-Base interactions energy: -641.765
where: short stacking energy: -290.675
Base-Backbone interact. energy: -0.747
local terms energy: -295.160094
where:
bonds (distance) C4'-P energy: -51.783
bonds (distance) P-C4' energy: -58.459
flat angles C4'-P-C4' energy: -59.446
flat angles P-C4'-P energy: -39.540
tors. eta vs tors. theta energy: -85.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -862.297718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.297718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.297718 (E_RNA)
where:
Base-Base interactions energy: -594.583
where: short stacking energy: -260.805
Base-Backbone interact. energy: -1.026
local terms energy: -266.688502
where:
bonds (distance) C4'-P energy: -44.552
bonds (distance) P-C4' energy: -51.513
flat angles C4'-P-C4' energy: -53.501
flat angles P-C4'-P energy: -38.011
tors. eta vs tors. theta energy: -79.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -783.049335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.049335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.049335 (E_RNA)
where:
Base-Base interactions energy: -539.478
where: short stacking energy: -231.842
Base-Backbone interact. energy: 1.257
local terms energy: -244.828395
where:
bonds (distance) C4'-P energy: -40.875
bonds (distance) P-C4' energy: -46.536
flat angles C4'-P-C4' energy: -52.702
flat angles P-C4'-P energy: -36.874
tors. eta vs tors. theta energy: -67.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -730.999407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.999407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.999407 (E_RNA)
where:
Base-Base interactions energy: -480.482
where: short stacking energy: -233.478
Base-Backbone interact. energy: -0.485
local terms energy: -250.032349
where:
bonds (distance) C4'-P energy: -51.096
bonds (distance) P-C4' energy: -49.648
flat angles C4'-P-C4' energy: -51.384
flat angles P-C4'-P energy: -34.852
tors. eta vs tors. theta energy: -63.052
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: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -576.235137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -576.235137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -576.235137 (E_RNA)
where:
Base-Base interactions energy: -355.607
where: short stacking energy: -155.986
Base-Backbone interact. energy: -1.674
local terms energy: -218.953990
where:
bonds (distance) C4'-P energy: -47.716
bonds (distance) P-C4' energy: -43.385
flat angles C4'-P-C4' energy: -56.106
flat angles P-C4'-P energy: -38.783
tors. eta vs tors. theta energy: -32.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -521.986224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.986224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.986224 (E_RNA)
where:
Base-Base interactions energy: -315.680
where: short stacking energy: -143.965
Base-Backbone interact. energy: -1.314
local terms energy: -204.992178
where:
bonds (distance) C4'-P energy: -49.619
bonds (distance) P-C4' energy: -47.883
flat angles C4'-P-C4' energy: -43.942
flat angles P-C4'-P energy: -29.378
tors. eta vs tors. theta energy: -34.170
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: 10, replica: 3
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -345.747326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.747326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.747326 (E_RNA)
where:
Base-Base interactions energy: -169.940
where: short stacking energy: -87.398
Base-Backbone interact. energy: -0.697
local terms energy: -175.110197
where:
bonds (distance) C4'-P energy: -43.053
bonds (distance) P-C4' energy: -53.681
flat angles C4'-P-C4' energy: -40.335
flat angles P-C4'-P energy: -34.833
tors. eta vs tors. theta energy: -3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1042.956973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.956973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.956973 (E_RNA)
where:
Base-Base interactions energy: -730.696
where: short stacking energy: -316.887
Base-Backbone interact. energy: -1.236
local terms energy: -311.024538
where:
bonds (distance) C4'-P energy: -54.063
bonds (distance) P-C4' energy: -49.458
flat angles C4'-P-C4' energy: -66.555
flat angles P-C4'-P energy: -41.040
tors. eta vs tors. theta energy: -99.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1000.798741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.798741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.798741 (E_RNA)
where:
Base-Base interactions energy: -696.899
where: short stacking energy: -292.204
Base-Backbone interact. energy: -0.697
local terms energy: -303.202912
where:
bonds (distance) C4'-P energy: -53.278
bonds (distance) P-C4' energy: -61.679
flat angles C4'-P-C4' energy: -58.118
flat angles P-C4'-P energy: -41.923
tors. eta vs tors. theta energy: -88.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -952.664366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.664366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.664366 (E_RNA)
where:
Base-Base interactions energy: -673.363
where: short stacking energy: -286.325
Base-Backbone interact. energy: -0.960
local terms energy: -278.341171
where:
bonds (distance) C4'-P energy: -50.095
bonds (distance) P-C4' energy: -56.546
flat angles C4'-P-C4' energy: -57.231
flat angles P-C4'-P energy: -32.575
tors. eta vs tors. theta energy: -81.894
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: 2
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -930.530612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -930.530612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -930.530612 (E_RNA)
where:
Base-Base interactions energy: -636.945
where: short stacking energy: -284.827
Base-Backbone interact. energy: -0.997
local terms energy: -292.588943
where:
bonds (distance) C4'-P energy: -59.718
bonds (distance) P-C4' energy: -46.082
flat angles C4'-P-C4' energy: -60.545
flat angles P-C4'-P energy: -40.421
tors. eta vs tors. theta energy: -85.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -850.244572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -850.244572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -850.244572 (E_RNA)
where:
Base-Base interactions energy: -584.493
where: short stacking energy: -262.929
Base-Backbone interact. energy: -0.753
local terms energy: -264.998744
where:
bonds (distance) C4'-P energy: -56.585
bonds (distance) P-C4' energy: -48.911
flat angles C4'-P-C4' energy: -60.830
flat angles P-C4'-P energy: -28.428
tors. eta vs tors. theta energy: -70.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -688.820093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.820093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.820093 (E_RNA)
where:
Base-Base interactions energy: -453.973
where: short stacking energy: -207.162
Base-Backbone interact. energy: -2.331
local terms energy: -232.515965
where:
bonds (distance) C4'-P energy: -57.455
bonds (distance) P-C4' energy: -49.849
flat angles C4'-P-C4' energy: -44.174
flat angles P-C4'-P energy: -33.880
tors. eta vs tors. theta energy: -47.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -776.067389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.067389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.067389 (E_RNA)
where:
Base-Base interactions energy: -503.069
where: short stacking energy: -223.544
Base-Backbone interact. energy: -0.892
local terms energy: -272.106548
where:
bonds (distance) C4'-P energy: -51.903
bonds (distance) P-C4' energy: -59.213
flat angles C4'-P-C4' energy: -53.147
flat angles P-C4'-P energy: -41.438
tors. eta vs tors. theta energy: -66.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -527.634070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.634070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.634070 (E_RNA)
where:
Base-Base interactions energy: -326.230
where: short stacking energy: -157.848
Base-Backbone interact. energy: -0.169
local terms energy: -201.235263
where:
bonds (distance) C4'-P energy: -51.834
bonds (distance) P-C4' energy: -43.501
flat angles C4'-P-C4' energy: -48.208
flat angles P-C4'-P energy: -30.803
tors. eta vs tors. theta energy: -26.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -565.482932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.482932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.482932 (E_RNA)
where:
Base-Base interactions energy: -343.973
where: short stacking energy: -173.270
Base-Backbone interact. energy: -0.954
local terms energy: -220.555466
where:
bonds (distance) C4'-P energy: -44.029
bonds (distance) P-C4' energy: -50.254
flat angles C4'-P-C4' energy: -58.462
flat angles P-C4'-P energy: -23.175
tors. eta vs tors. theta energy: -44.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -381.159901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -381.159901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -381.159901 (E_RNA)
where:
Base-Base interactions energy: -202.309
where: short stacking energy: -109.189
Base-Backbone interact. energy: -1.693
local terms energy: -177.157717
where:
bonds (distance) C4'-P energy: -40.190
bonds (distance) P-C4' energy: -51.174
flat angles C4'-P-C4' energy: -39.882
flat angles P-C4'-P energy: -36.902
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1055.245694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.245694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.245694 (E_RNA)
where:
Base-Base interactions energy: -735.822
where: short stacking energy: -312.168
Base-Backbone interact. energy: -1.865
local terms energy: -317.559249
where:
bonds (distance) C4'-P energy: -50.371
bonds (distance) P-C4' energy: -52.135
flat angles C4'-P-C4' energy: -68.011
flat angles P-C4'-P energy: -45.329
tors. eta vs tors. theta energy: -101.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1004.220820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.220820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.220820 (E_RNA)
where:
Base-Base interactions energy: -699.044
where: short stacking energy: -290.205
Base-Backbone interact. energy: -0.922
local terms energy: -304.254421
where:
bonds (distance) C4'-P energy: -49.443
bonds (distance) P-C4' energy: -52.833
flat angles C4'-P-C4' energy: -64.917
flat angles P-C4'-P energy: -47.836
tors. eta vs tors. theta energy: -89.227
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: 1
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -975.041903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.041903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.041903 (E_RNA)
where:
Base-Base interactions energy: -675.176
where: short stacking energy: -278.045
Base-Backbone interact. energy: -2.062
local terms energy: -297.803810
where:
bonds (distance) C4'-P energy: -52.582
bonds (distance) P-C4' energy: -58.006
flat angles C4'-P-C4' energy: -64.310
flat angles P-C4'-P energy: -39.516
tors. eta vs tors. theta energy: -83.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -913.154897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.154897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.154897 (E_RNA)
where:
Base-Base interactions energy: -631.666
where: short stacking energy: -261.982
Base-Backbone interact. energy: 1.302
local terms energy: -282.791170
where:
bonds (distance) C4'-P energy: -52.869
bonds (distance) P-C4' energy: -49.883
flat angles C4'-P-C4' energy: -62.008
flat angles P-C4'-P energy: -37.982
tors. eta vs tors. theta energy: -80.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -842.158630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.158630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.158630 (E_RNA)
where:
Base-Base interactions energy: -565.599
where: short stacking energy: -251.739
Base-Backbone interact. energy: -1.066
local terms energy: -275.493100
where:
bonds (distance) C4'-P energy: -56.635
bonds (distance) P-C4' energy: -48.340
flat angles C4'-P-C4' energy: -65.441
flat angles P-C4'-P energy: -29.852
tors. eta vs tors. theta energy: -75.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -700.915998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.915998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.915998 (E_RNA)
where:
Base-Base interactions energy: -468.952
where: short stacking energy: -219.515
Base-Backbone interact. energy: -0.033
local terms energy: -231.931095
where:
bonds (distance) C4'-P energy: -51.685
bonds (distance) P-C4' energy: -47.258
flat angles C4'-P-C4' energy: -51.224
flat angles P-C4'-P energy: -27.163
tors. eta vs tors. theta energy: -54.601
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: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -739.540273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.540273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.540273 (E_RNA)
where:
Base-Base interactions energy: -508.223
where: short stacking energy: -213.519
Base-Backbone interact. energy: -0.592
local terms energy: -230.725819
where:
bonds (distance) C4'-P energy: -42.876
bonds (distance) P-C4' energy: -45.750
flat angles C4'-P-C4' energy: -50.381
flat angles P-C4'-P energy: -33.851
tors. eta vs tors. theta energy: -57.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -519.248238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -519.248238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -519.248238 (E_RNA)
where:
Base-Base interactions energy: -337.611
where: short stacking energy: -155.172
Base-Backbone interact. energy: 0.164
local terms energy: -181.801174
where:
bonds (distance) C4'-P energy: -34.527
bonds (distance) P-C4' energy: -46.120
flat angles C4'-P-C4' energy: -50.502
flat angles P-C4'-P energy: -26.670
tors. eta vs tors. theta energy: -23.981
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: 6
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -543.620369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -543.620369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -543.620369 (E_RNA)
where:
Base-Base interactions energy: -355.591
where: short stacking energy: -171.440
Base-Backbone interact. energy: 5.628
local terms energy: -193.657541
where:
bonds (distance) C4'-P energy: -55.724
bonds (distance) P-C4' energy: -49.759
flat angles C4'-P-C4' energy: -33.557
flat angles P-C4'-P energy: -26.005
tors. eta vs tors. theta energy: -28.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -357.562018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -357.562018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -357.562018 (E_RNA)
where:
Base-Base interactions energy: -185.771
where: short stacking energy: -106.167
Base-Backbone interact. energy: 0.859
local terms energy: -172.650321
where:
bonds (distance) C4'-P energy: -43.736
bonds (distance) P-C4' energy: -51.408
flat angles C4'-P-C4' energy: -36.157
flat angles P-C4'-P energy: -25.126
tors. eta vs tors. theta energy: -16.223
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: 1, replica: 7
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1028.379966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.379966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.379966 (E_RNA)
where:
Base-Base interactions energy: -720.096
where: short stacking energy: -301.141
Base-Backbone interact. energy: 0.341
local terms energy: -308.624975
where:
bonds (distance) C4'-P energy: -61.205
bonds (distance) P-C4' energy: -53.501
flat angles C4'-P-C4' energy: -61.422
flat angles P-C4'-P energy: -40.528
tors. eta vs tors. theta energy: -91.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -965.922606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.922606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.922606 (E_RNA)
where:
Base-Base interactions energy: -663.850
where: short stacking energy: -285.838
Base-Backbone interact. energy: -0.840
local terms energy: -301.231944
where:
bonds (distance) C4'-P energy: -54.507
bonds (distance) P-C4' energy: -55.093
flat angles C4'-P-C4' energy: -62.808
flat angles P-C4'-P energy: -39.582
tors. eta vs tors. theta energy: -89.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -990.220502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.220502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.220502 (E_RNA)
where:
Base-Base interactions energy: -686.215
where: short stacking energy: -283.536
Base-Backbone interact. energy: -1.444
local terms energy: -302.560977
where:
bonds (distance) C4'-P energy: -60.292
bonds (distance) P-C4' energy: -56.584
flat angles C4'-P-C4' energy: -53.280
flat angles P-C4'-P energy: -46.742
tors. eta vs tors. theta energy: -85.664
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: 2
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -899.940861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.940861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.940861 (E_RNA)
where:
Base-Base interactions energy: -627.647
where: short stacking energy: -283.620
Base-Backbone interact. energy: -0.639
local terms energy: -271.655033
where:
bonds (distance) C4'-P energy: -44.596
bonds (distance) P-C4' energy: -46.331
flat angles C4'-P-C4' energy: -63.727
flat angles P-C4'-P energy: -32.334
tors. eta vs tors. theta energy: -84.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -814.860051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.860051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.860051 (E_RNA)
where:
Base-Base interactions energy: -557.963
where: short stacking energy: -246.418
Base-Backbone interact. energy: -2.470
local terms energy: -254.426431
where:
bonds (distance) C4'-P energy: -57.416
bonds (distance) P-C4' energy: -52.275
flat angles C4'-P-C4' energy: -58.270
flat angles P-C4'-P energy: -26.500
tors. eta vs tors. theta energy: -59.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -816.836701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.836701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.836701 (E_RNA)
where:
Base-Base interactions energy: -565.914
where: short stacking energy: -237.698
Base-Backbone interact. energy: -1.494
local terms energy: -249.428867
where:
bonds (distance) C4'-P energy: -46.763
bonds (distance) P-C4' energy: -48.815
flat angles C4'-P-C4' energy: -51.674
flat angles P-C4'-P energy: -33.449
tors. eta vs tors. theta energy: -68.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -642.820136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.820136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.820136 (E_RNA)
where:
Base-Base interactions energy: -417.670
where: short stacking energy: -193.769
Base-Backbone interact. energy: -0.477
local terms energy: -224.673505
where:
bonds (distance) C4'-P energy: -47.601
bonds (distance) P-C4' energy: -47.603
flat angles C4'-P-C4' energy: -48.857
flat angles P-C4'-P energy: -26.018
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: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -546.149869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -546.149869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -546.149869 (E_RNA)
where:
Base-Base interactions energy: -345.960
where: short stacking energy: -165.078
Base-Backbone interact. energy: -0.378
local terms energy: -199.812024
where:
bonds (distance) C4'-P energy: -47.125
bonds (distance) P-C4' energy: -45.851
flat angles C4'-P-C4' energy: -41.884
flat angles P-C4'-P energy: -23.373
tors. eta vs tors. theta energy: -41.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -565.485523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.485523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.485523 (E_RNA)
where:
Base-Base interactions energy: -357.060
where: short stacking energy: -157.594
Base-Backbone interact. energy: -1.153
local terms energy: -207.271797
where:
bonds (distance) C4'-P energy: -51.724
bonds (distance) P-C4' energy: -49.435
flat angles C4'-P-C4' energy: -43.781
flat angles P-C4'-P energy: -33.637
tors. eta vs tors. theta energy: -28.694
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: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -354.485799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.485799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.485799 (E_RNA)
where:
Base-Base interactions energy: -178.102
where: short stacking energy: -108.887
Base-Backbone interact. energy: -2.525
local terms energy: -173.859018
where:
bonds (distance) C4'-P energy: -52.557
bonds (distance) P-C4' energy: -42.723
flat angles C4'-P-C4' energy: -32.001
flat angles P-C4'-P energy: -32.924
tors. eta vs tors. theta energy: -13.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1058.986625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.986625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.986625 (E_RNA)
where:
Base-Base interactions energy: -751.193
where: short stacking energy: -301.519
Base-Backbone interact. energy: -3.148
local terms energy: -304.645843
where:
bonds (distance) C4'-P energy: -52.762
bonds (distance) P-C4' energy: -50.149
flat angles C4'-P-C4' energy: -62.947
flat angles P-C4'-P energy: -44.110
tors. eta vs tors. theta energy: -94.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -974.809181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.809181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.809181 (E_RNA)
where:
Base-Base interactions energy: -683.990
where: short stacking energy: -276.652
Base-Backbone interact. energy: -1.853
local terms energy: -288.966318
where:
bonds (distance) C4'-P energy: -54.157
bonds (distance) P-C4' energy: -53.253
flat angles C4'-P-C4' energy: -61.001
flat angles P-C4'-P energy: -36.509
tors. eta vs tors. theta energy: -84.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -967.875640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.875640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.875640 (E_RNA)
where:
Base-Base interactions energy: -677.076
where: short stacking energy: -279.303
Base-Backbone interact. energy: -0.785
local terms energy: -290.015397
where:
bonds (distance) C4'-P energy: -52.307
bonds (distance) P-C4' energy: -59.370
flat angles C4'-P-C4' energy: -58.508
flat angles P-C4'-P energy: -33.948
tors. eta vs tors. theta energy: -85.883
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: 2
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -891.464378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.464378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.464378 (E_RNA)
where:
Base-Base interactions energy: -598.113
where: short stacking energy: -265.960
Base-Backbone interact. energy: -0.124
local terms energy: -293.227209
where:
bonds (distance) C4'-P energy: -51.958
bonds (distance) P-C4' energy: -51.725
flat angles C4'-P-C4' energy: -62.040
flat angles P-C4'-P energy: -48.072
tors. eta vs tors. theta energy: -79.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -846.176001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.176001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.176001 (E_RNA)
where:
Base-Base interactions energy: -575.257
where: short stacking energy: -250.079
Base-Backbone interact. energy: 1.774
local terms energy: -272.692839
where:
bonds (distance) C4'-P energy: -40.525
bonds (distance) P-C4' energy: -62.879
flat angles C4'-P-C4' energy: -60.466
flat angles P-C4'-P energy: -38.187
tors. eta vs tors. theta energy: -70.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -800.808144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.808144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.808144 (E_RNA)
where:
Base-Base interactions energy: -544.327
where: short stacking energy: -236.076
Base-Backbone interact. energy: -0.982
local terms energy: -255.499725
where:
bonds (distance) C4'-P energy: -50.643
bonds (distance) P-C4' energy: -49.001
flat angles C4'-P-C4' energy: -59.671
flat angles P-C4'-P energy: -27.621
tors. eta vs tors. theta energy: -68.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -680.582979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.582979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.582979 (E_RNA)
where:
Base-Base interactions energy: -431.522
where: short stacking energy: -196.524
Base-Backbone interact. energy: -0.850
local terms energy: -248.210998
where:
bonds (distance) C4'-P energy: -46.893
bonds (distance) P-C4' energy: -55.187
flat angles C4'-P-C4' energy: -58.825
flat angles P-C4'-P energy: -33.933
tors. eta vs tors. theta energy: -53.373
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: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -579.119530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.119530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.119530 (E_RNA)
where:
Base-Base interactions energy: -343.130
where: short stacking energy: -160.020
Base-Backbone interact. energy: -0.668
local terms energy: -235.321411
where:
bonds (distance) C4'-P energy: -50.041
bonds (distance) P-C4' energy: -47.948
flat angles C4'-P-C4' energy: -58.518
flat angles P-C4'-P energy: -29.750
tors. eta vs tors. theta energy: -49.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -528.924074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.924074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.924074 (E_RNA)
where:
Base-Base interactions energy: -330.750
where: short stacking energy: -151.762
Base-Backbone interact. energy: -0.528
local terms energy: -197.646160
where:
bonds (distance) C4'-P energy: -53.003
bonds (distance) P-C4' energy: -51.141
flat angles C4'-P-C4' energy: -40.210
flat angles P-C4'-P energy: -23.949
tors. eta vs tors. theta energy: -29.343
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: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -352.982007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.982007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.982007 (E_RNA)
where:
Base-Base interactions energy: -182.604
where: short stacking energy: -89.915
Base-Backbone interact. energy: -0.281
local terms energy: -170.097174
where:
bonds (distance) C4'-P energy: -43.879
bonds (distance) P-C4' energy: -43.105
flat angles C4'-P-C4' energy: -46.926
flat angles P-C4'-P energy: -21.373
tors. eta vs tors. theta energy: -14.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1057.190084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.190084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.190084 (E_RNA)
where:
Base-Base interactions energy: -740.958
where: short stacking energy: -306.268
Base-Backbone interact. energy: -1.264
local terms energy: -314.968126
where:
bonds (distance) C4'-P energy: -60.048
bonds (distance) P-C4' energy: -54.078
flat angles C4'-P-C4' energy: -62.844
flat angles P-C4'-P energy: -44.977
tors. eta vs tors. theta energy: -93.021
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: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -977.122838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.122838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.122838 (E_RNA)
where:
Base-Base interactions energy: -690.721
where: short stacking energy: -288.569
Base-Backbone interact. energy: 0.672
local terms energy: -287.073683
where:
bonds (distance) C4'-P energy: -49.109
bonds (distance) P-C4' energy: -52.694
flat angles C4'-P-C4' energy: -58.127
flat angles P-C4'-P energy: -39.336
tors. eta vs tors. theta energy: -87.808
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: 1
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -953.708965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.708965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.708965 (E_RNA)
where:
Base-Base interactions energy: -665.604
where: short stacking energy: -264.779
Base-Backbone interact. energy: 1.004
local terms energy: -289.108509
where:
bonds (distance) C4'-P energy: -57.372
bonds (distance) P-C4' energy: -60.230
flat angles C4'-P-C4' energy: -54.646
flat angles P-C4'-P energy: -38.297
tors. eta vs tors. theta energy: -78.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -891.893940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -891.893940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -891.893940 (E_RNA)
where:
Base-Base interactions energy: -612.046
where: short stacking energy: -259.226
Base-Backbone interact. energy: 0.801
local terms energy: -280.648176
where:
bonds (distance) C4'-P energy: -51.240
bonds (distance) P-C4' energy: -57.451
flat angles C4'-P-C4' energy: -59.212
flat angles P-C4'-P energy: -39.525
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: 5, replica: 5
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -798.624689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.624689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.624689 (E_RNA)
where:
Base-Base interactions energy: -547.709
where: short stacking energy: -229.459
Base-Backbone interact. energy: 0.274
local terms energy: -251.189645
where:
bonds (distance) C4'-P energy: -45.550
bonds (distance) P-C4' energy: -58.669
flat angles C4'-P-C4' energy: -50.191
flat angles P-C4'-P energy: -36.963
tors. eta vs tors. theta energy: -59.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -817.915416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.915416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.915416 (E_RNA)
where:
Base-Base interactions energy: -576.181
where: short stacking energy: -246.914
Base-Backbone interact. energy: -1.788
local terms energy: -239.946449
where:
bonds (distance) C4'-P energy: -45.450
bonds (distance) P-C4' energy: -52.112
flat angles C4'-P-C4' energy: -52.698
flat angles P-C4'-P energy: -29.528
tors. eta vs tors. theta energy: -60.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -674.914493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -674.914493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -674.914493 (E_RNA)
where:
Base-Base interactions energy: -437.297
where: short stacking energy: -198.829
Base-Backbone interact. energy: -0.455
local terms energy: -237.162365
where:
bonds (distance) C4'-P energy: -44.085
bonds (distance) P-C4' energy: -53.089
flat angles C4'-P-C4' energy: -55.558
flat angles P-C4'-P energy: -29.932
tors. eta vs tors. theta energy: -54.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -588.602910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -588.602910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -588.602910 (E_RNA)
where:
Base-Base interactions energy: -384.222
where: short stacking energy: -181.959
Base-Backbone interact. energy: -2.476
local terms energy: -201.904441
where:
bonds (distance) C4'-P energy: -46.305
bonds (distance) P-C4' energy: -34.092
flat angles C4'-P-C4' energy: -42.186
flat angles P-C4'-P energy: -30.833
tors. eta vs tors. theta energy: -48.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -573.627839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.627839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.627839 (E_RNA)
where:
Base-Base interactions energy: -363.287
where: short stacking energy: -163.986
Base-Backbone interact. energy: -2.071
local terms energy: -208.269406
where:
bonds (distance) C4'-P energy: -50.751
bonds (distance) P-C4' energy: -50.189
flat angles C4'-P-C4' energy: -48.845
flat angles P-C4'-P energy: -26.254
tors. eta vs tors. theta energy: -32.231
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: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -358.714540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.714540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.714540 (E_RNA)
where:
Base-Base interactions energy: -206.248
where: short stacking energy: -137.631
Base-Backbone interact. energy: 2.748
local terms energy: -155.215227
where:
bonds (distance) C4'-P energy: -39.942
bonds (distance) P-C4' energy: -49.748
flat angles C4'-P-C4' energy: -41.298
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -13.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1055.787686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.787686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.787686 (E_RNA)
where:
Base-Base interactions energy: -734.421
where: short stacking energy: -304.647
Base-Backbone interact. energy: -0.844
local terms energy: -320.523109
where:
bonds (distance) C4'-P energy: -50.908
bonds (distance) P-C4' energy: -63.052
flat angles C4'-P-C4' energy: -61.197
flat angles P-C4'-P energy: -47.328
tors. eta vs tors. theta energy: -98.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -992.302214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.302214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.302214 (E_RNA)
where:
Base-Base interactions energy: -698.853
where: short stacking energy: -284.540
Base-Backbone interact. energy: 0.357
local terms energy: -293.805824
where:
bonds (distance) C4'-P energy: -53.274
bonds (distance) P-C4' energy: -54.097
flat angles C4'-P-C4' energy: -60.933
flat angles P-C4'-P energy: -41.028
tors. eta vs tors. theta energy: -84.474
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: 1
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -954.989781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.989781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.989781 (E_RNA)
where:
Base-Base interactions energy: -662.986
where: short stacking energy: -286.027
Base-Backbone interact. energy: -0.558
local terms energy: -291.445177
where:
bonds (distance) C4'-P energy: -55.934
bonds (distance) P-C4' energy: -54.728
flat angles C4'-P-C4' energy: -52.864
flat angles P-C4'-P energy: -40.685
tors. eta vs tors. theta energy: -87.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -912.759653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.759653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.759653 (E_RNA)
where:
Base-Base interactions energy: -615.049
where: short stacking energy: -277.075
Base-Backbone interact. energy: -0.685
local terms energy: -297.025997
where:
bonds (distance) C4'-P energy: -58.818
bonds (distance) P-C4' energy: -51.709
flat angles C4'-P-C4' energy: -61.398
flat angles P-C4'-P energy: -37.848
tors. eta vs tors. theta energy: -87.254
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: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -860.322310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.322310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.322310 (E_RNA)
where:
Base-Base interactions energy: -583.943
where: short stacking energy: -251.373
Base-Backbone interact. energy: -1.533
local terms energy: -274.846026
where:
bonds (distance) C4'-P energy: -49.757
bonds (distance) P-C4' energy: -62.572
flat angles C4'-P-C4' energy: -49.733
flat angles P-C4'-P energy: -37.033
tors. eta vs tors. theta energy: -75.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -796.380651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.380651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.380651 (E_RNA)
where:
Base-Base interactions energy: -543.269
where: short stacking energy: -236.250
Base-Backbone interact. energy: -0.613
local terms energy: -252.498582
where:
bonds (distance) C4'-P energy: -42.771
bonds (distance) P-C4' energy: -38.411
flat angles C4'-P-C4' energy: -58.693
flat angles P-C4'-P energy: -43.898
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: 7, replica: 10
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -659.839634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.839634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.839634 (E_RNA)
where:
Base-Base interactions energy: -426.161
where: short stacking energy: -194.153
Base-Backbone interact. energy: 0.549
local terms energy: -234.227734
where:
bonds (distance) C4'-P energy: -47.259
bonds (distance) P-C4' energy: -39.903
flat angles C4'-P-C4' energy: -59.756
flat angles P-C4'-P energy: -43.781
tors. eta vs tors. theta energy: -43.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -560.080345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -560.080345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -560.080345 (E_RNA)
where:
Base-Base interactions energy: -344.362
where: short stacking energy: -147.724
Base-Backbone interact. energy: -0.229
local terms energy: -215.489501
where:
bonds (distance) C4'-P energy: -43.123
bonds (distance) P-C4' energy: -53.791
flat angles C4'-P-C4' energy: -51.679
flat angles P-C4'-P energy: -36.122
tors. eta vs tors. theta energy: -30.774
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: 6
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -509.840564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -509.840564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -509.840564 (E_RNA)
where:
Base-Base interactions energy: -310.207
where: short stacking energy: -143.686
Base-Backbone interact. energy: -0.929
local terms energy: -198.704157
where:
bonds (distance) C4'-P energy: -53.867
bonds (distance) P-C4' energy: -50.840
flat angles C4'-P-C4' energy: -41.852
flat angles P-C4'-P energy: -35.368
tors. eta vs tors. theta energy: -16.778
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: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -354.369901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.369901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.369901 (E_RNA)
where:
Base-Base interactions energy: -184.557
where: short stacking energy: -101.657
Base-Backbone interact. energy: 1.144
local terms energy: -170.956808
where:
bonds (distance) C4'-P energy: -36.934
bonds (distance) P-C4' energy: -38.939
flat angles C4'-P-C4' energy: -53.599
flat angles P-C4'-P energy: -25.140
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: 1, replica: 7
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1050.998481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.998481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.998481 (E_RNA)
where:
Base-Base interactions energy: -720.789
where: short stacking energy: -315.777
Base-Backbone interact. energy: -1.876
local terms energy: -328.334298
where:
bonds (distance) C4'-P energy: -57.448
bonds (distance) P-C4' energy: -54.894
flat angles C4'-P-C4' energy: -69.782
flat angles P-C4'-P energy: -49.683
tors. eta vs tors. theta energy: -96.526
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: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -989.807673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.807673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.807673 (E_RNA)
where:
Base-Base interactions energy: -678.092
where: short stacking energy: -280.181
Base-Backbone interact. energy: -1.908
local terms energy: -309.807773
where:
bonds (distance) C4'-P energy: -56.530
bonds (distance) P-C4' energy: -61.679
flat angles C4'-P-C4' energy: -60.308
flat angles P-C4'-P energy: -48.269
tors. eta vs tors. theta energy: -83.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -945.015822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.015822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.015822 (E_RNA)
where:
Base-Base interactions energy: -652.608
where: short stacking energy: -265.437
Base-Backbone interact. energy: -2.713
local terms energy: -289.694501
where:
bonds (distance) C4'-P energy: -51.141
bonds (distance) P-C4' energy: -52.708
flat angles C4'-P-C4' energy: -59.539
flat angles P-C4'-P energy: -44.916
tors. eta vs tors. theta energy: -81.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -887.969256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -887.969256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -887.969256 (E_RNA)
where:
Base-Base interactions energy: -611.756
where: short stacking energy: -270.587
Base-Backbone interact. energy: -0.186
local terms energy: -276.027210
where:
bonds (distance) C4'-P energy: -51.309
bonds (distance) P-C4' energy: -40.755
flat angles C4'-P-C4' energy: -64.912
flat angles P-C4'-P energy: -41.120
tors. eta vs tors. theta energy: -77.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -853.372399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.372399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.372399 (E_RNA)
where:
Base-Base interactions energy: -575.376
where: short stacking energy: -255.522
Base-Backbone interact. energy: -0.599
local terms energy: -277.398187
where:
bonds (distance) C4'-P energy: -56.708
bonds (distance) P-C4' energy: -51.644
flat angles C4'-P-C4' energy: -53.987
flat angles P-C4'-P energy: -45.395
tors. eta vs tors. theta energy: -69.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -764.265384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.265384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.265384 (E_RNA)
where:
Base-Base interactions energy: -502.421
where: short stacking energy: -207.526
Base-Backbone interact. energy: 0.672
local terms energy: -262.516144
where:
bonds (distance) C4'-P energy: -53.315
bonds (distance) P-C4' energy: -59.528
flat angles C4'-P-C4' energy: -54.342
flat angles P-C4'-P energy: -44.785
tors. eta vs tors. theta energy: -50.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -657.812774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.812774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.812774 (E_RNA)
where:
Base-Base interactions energy: -432.597
where: short stacking energy: -186.380
Base-Backbone interact. energy: -0.911
local terms energy: -224.304855
where:
bonds (distance) C4'-P energy: -42.350
bonds (distance) P-C4' energy: -51.888
flat angles C4'-P-C4' energy: -55.295
flat angles P-C4'-P energy: -29.852
tors. eta vs tors. theta energy: -44.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -593.737371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -593.737371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -593.737371 (E_RNA)
where:
Base-Base interactions energy: -385.210
where: short stacking energy: -188.831
Base-Backbone interact. energy: -0.231
local terms energy: -208.296402
where:
bonds (distance) C4'-P energy: -40.761
bonds (distance) P-C4' energy: -34.053
flat angles C4'-P-C4' energy: -51.148
flat angles P-C4'-P energy: -38.588
tors. eta vs tors. theta energy: -43.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -562.967793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.967793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.967793 (E_RNA)
where:
Base-Base interactions energy: -356.605
where: short stacking energy: -164.885
Base-Backbone interact. energy: -0.625
local terms energy: -205.737293
where:
bonds (distance) C4'-P energy: -40.197
bonds (distance) P-C4' energy: -50.645
flat angles C4'-P-C4' energy: -50.513
flat angles P-C4'-P energy: -38.019
tors. eta vs tors. theta energy: -26.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -365.904961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -365.904961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -365.904961 (E_RNA)
where:
Base-Base interactions energy: -190.250
where: short stacking energy: -116.219
Base-Backbone interact. energy: -1.539
local terms energy: -174.116252
where:
bonds (distance) C4'-P energy: -44.488
bonds (distance) P-C4' energy: -41.514
flat angles C4'-P-C4' energy: -45.513
flat angles P-C4'-P energy: -30.565
tors. eta vs tors. theta energy: -12.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1065.160610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.160610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.160610 (E_RNA)
where:
Base-Base interactions energy: -760.861
where: short stacking energy: -303.278
Base-Backbone interact. energy: -2.658
local terms energy: -301.641363
where:
bonds (distance) C4'-P energy: -54.100
bonds (distance) P-C4' energy: -45.754
flat angles C4'-P-C4' energy: -63.459
flat angles P-C4'-P energy: -47.214
tors. eta vs tors. theta energy: -91.115
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: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -999.642210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.642210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.642210 (E_RNA)
where:
Base-Base interactions energy: -694.047
where: short stacking energy: -287.753
Base-Backbone interact. energy: -0.649
local terms energy: -304.946668
where:
bonds (distance) C4'-P energy: -59.390
bonds (distance) P-C4' energy: -51.610
flat angles C4'-P-C4' energy: -66.260
flat angles P-C4'-P energy: -41.409
tors. eta vs tors. theta energy: -86.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -955.847501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.847501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.847501 (E_RNA)
where:
Base-Base interactions energy: -651.905
where: short stacking energy: -271.817
Base-Backbone interact. energy: -1.525
local terms energy: -302.417049
where:
bonds (distance) C4'-P energy: -58.660
bonds (distance) P-C4' energy: -54.367
flat angles C4'-P-C4' energy: -61.876
flat angles P-C4'-P energy: -42.580
tors. eta vs tors. theta energy: -84.934
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: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -896.376243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -896.376243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -896.376243 (E_RNA)
where:
Base-Base interactions energy: -625.613
where: short stacking energy: -264.168
Base-Backbone interact. energy: -2.453
local terms energy: -268.310540
where:
bonds (distance) C4'-P energy: -54.398
bonds (distance) P-C4' energy: -38.635
flat angles C4'-P-C4' energy: -58.981
flat angles P-C4'-P energy: -38.674
tors. eta vs tors. theta energy: -77.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -834.128082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -834.128082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -834.128082 (E_RNA)
where:
Base-Base interactions energy: -571.523
where: short stacking energy: -249.112
Base-Backbone interact. energy: -1.030
local terms energy: -261.575802
where:
bonds (distance) C4'-P energy: -48.478
bonds (distance) P-C4' energy: -48.049
flat angles C4'-P-C4' energy: -57.030
flat angles P-C4'-P energy: -38.190
tors. eta vs tors. theta energy: -69.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -778.414572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.414572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.414572 (E_RNA)
where:
Base-Base interactions energy: -505.936
where: short stacking energy: -217.809
Base-Backbone interact. energy: -1.102
local terms energy: -271.376593
where:
bonds (distance) C4'-P energy: -54.314
bonds (distance) P-C4' energy: -56.731
flat angles C4'-P-C4' energy: -58.479
flat angles P-C4'-P energy: -40.346
tors. eta vs tors. theta energy: -61.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -659.325484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.325484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.325484 (E_RNA)
where:
Base-Base interactions energy: -427.244
where: short stacking energy: -200.669
Base-Backbone interact. energy: -0.667
local terms energy: -231.414731
where:
bonds (distance) C4'-P energy: -52.484
bonds (distance) P-C4' energy: -47.708
flat angles C4'-P-C4' energy: -53.149
flat angles P-C4'-P energy: -25.071
tors. eta vs tors. theta energy: -53.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -617.916272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -617.916272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -617.916272 (E_RNA)
where:
Base-Base interactions energy: -404.500
where: short stacking energy: -211.123
Base-Backbone interact. energy: -0.647
local terms energy: -212.769246
where:
bonds (distance) C4'-P energy: -43.842
bonds (distance) P-C4' energy: -45.947
flat angles C4'-P-C4' energy: -40.118
flat angles P-C4'-P energy: -33.127
tors. eta vs tors. theta energy: -49.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -527.816207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.816207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.816207 (E_RNA)
where:
Base-Base interactions energy: -313.796
where: short stacking energy: -134.234
Base-Backbone interact. energy: -1.413
local terms energy: -212.607976
where:
bonds (distance) C4'-P energy: -48.941
bonds (distance) P-C4' energy: -55.359
flat angles C4'-P-C4' energy: -50.675
flat angles P-C4'-P energy: -29.887
tors. eta vs tors. theta energy: -27.746
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: 3
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -356.575938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -356.575938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -356.575938 (E_RNA)
where:
Base-Base interactions energy: -194.953
where: short stacking energy: -84.952
Base-Backbone interact. energy: 1.125
local terms energy: -162.747543
where:
bonds (distance) C4'-P energy: -48.568
bonds (distance) P-C4' energy: -53.725
flat angles C4'-P-C4' energy: -32.116
flat angles P-C4'-P energy: -25.303
tors. eta vs tors. theta energy: -3.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1066.379062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.379062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.379062 (E_RNA)
where:
Base-Base interactions energy: -756.267
where: short stacking energy: -310.246
Base-Backbone interact. energy: -2.023
local terms energy: -308.089084
where:
bonds (distance) C4'-P energy: -49.327
bonds (distance) P-C4' energy: -60.537
flat angles C4'-P-C4' energy: -66.759
flat angles P-C4'-P energy: -42.480
tors. eta vs tors. theta energy: -88.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -972.184863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.184863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.184863 (E_RNA)
where:
Base-Base interactions energy: -666.434
where: short stacking energy: -286.580
Base-Backbone interact. energy: -0.686
local terms energy: -305.065147
where:
bonds (distance) C4'-P energy: -59.487
bonds (distance) P-C4' energy: -57.029
flat angles C4'-P-C4' energy: -62.141
flat angles P-C4'-P energy: -39.166
tors. eta vs tors. theta energy: -87.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -948.491520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.491520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.491520 (E_RNA)
where:
Base-Base interactions energy: -665.259
where: short stacking energy: -265.994
Base-Backbone interact. energy: -0.307
local terms energy: -282.925674
where:
bonds (distance) C4'-P energy: -46.802
bonds (distance) P-C4' energy: -51.446
flat angles C4'-P-C4' energy: -63.294
flat angles P-C4'-P energy: -38.587
tors. eta vs tors. theta energy: -82.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -911.979991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.979991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.979991 (E_RNA)
where:
Base-Base interactions energy: -621.266
where: short stacking energy: -268.846
Base-Backbone interact. energy: -0.770
local terms energy: -289.944250
where:
bonds (distance) C4'-P energy: -53.297
bonds (distance) P-C4' energy: -51.004
flat angles C4'-P-C4' energy: -58.318
flat angles P-C4'-P energy: -46.187
tors. eta vs tors. theta energy: -81.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -846.063064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.063064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.063064 (E_RNA)
where:
Base-Base interactions energy: -573.583
where: short stacking energy: -253.130
Base-Backbone interact. energy: -1.592
local terms energy: -270.887911
where:
bonds (distance) C4'-P energy: -51.237
bonds (distance) P-C4' energy: -51.137
flat angles C4'-P-C4' energy: -51.837
flat angles P-C4'-P energy: -40.672
tors. eta vs tors. theta energy: -76.006
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: 443
Temperature: 1.150000
Total energy: -798.152886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.152886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.152886 (E_RNA)
where:
Base-Base interactions energy: -544.619
where: short stacking energy: -223.460
Base-Backbone interact. energy: 0.383
local terms energy: -253.917358
where:
bonds (distance) C4'-P energy: -50.203
bonds (distance) P-C4' energy: -48.483
flat angles C4'-P-C4' energy: -57.952
flat angles P-C4'-P energy: -41.648
tors. eta vs tors. theta energy: -55.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -639.938255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.938255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.938255 (E_RNA)
where:
Base-Base interactions energy: -430.726
where: short stacking energy: -193.647
Base-Backbone interact. energy: -2.284
local terms energy: -206.928440
where:
bonds (distance) C4'-P energy: -37.239
bonds (distance) P-C4' energy: -47.590
flat angles C4'-P-C4' energy: -50.200
flat angles P-C4'-P energy: -23.081
tors. eta vs tors. theta energy: -48.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -579.841182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.841182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.841182 (E_RNA)
where:
Base-Base interactions energy: -365.557
where: short stacking energy: -173.668
Base-Backbone interact. energy: -0.163
local terms energy: -214.120794
where:
bonds (distance) C4'-P energy: -39.050
bonds (distance) P-C4' energy: -57.536
flat angles C4'-P-C4' energy: -49.372
flat angles P-C4'-P energy: -26.688
tors. eta vs tors. theta energy: -41.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -610.529670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.529670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.529670 (E_RNA)
where:
Base-Base interactions energy: -395.259
where: short stacking energy: -186.137
Base-Backbone interact. energy: -1.066
local terms energy: -214.204435
where:
bonds (distance) C4'-P energy: -29.335
bonds (distance) P-C4' energy: -47.744
flat angles C4'-P-C4' energy: -59.035
flat angles P-C4'-P energy: -34.805
tors. eta vs tors. theta energy: -43.285
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: 3
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -359.276899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.276899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.276899 (E_RNA)
where:
Base-Base interactions energy: -181.150
where: short stacking energy: -93.301
Base-Backbone interact. energy: -0.232
local terms energy: -177.895273
where:
bonds (distance) C4'-P energy: -52.910
bonds (distance) P-C4' energy: -47.023
flat angles C4'-P-C4' energy: -44.896
flat angles P-C4'-P energy: -29.409
tors. eta vs tors. theta energy: -3.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1065.488604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.488604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.488604 (E_RNA)
where:
Base-Base interactions energy: -763.236
where: short stacking energy: -315.419
Base-Backbone interact. energy: 0.331
local terms energy: -302.584078
where:
bonds (distance) C4'-P energy: -47.876
bonds (distance) P-C4' energy: -52.499
flat angles C4'-P-C4' energy: -65.726
flat angles P-C4'-P energy: -43.115
tors. eta vs tors. theta energy: -93.368
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: 2, replica: 1
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -957.283883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -957.283883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -957.283883 (E_RNA)
where:
Base-Base interactions energy: -675.767
where: short stacking energy: -294.536
Base-Backbone interact. energy: 0.858
local terms energy: -282.374906
where:
bonds (distance) C4'-P energy: -54.650
bonds (distance) P-C4' energy: -62.000
flat angles C4'-P-C4' energy: -55.377
flat angles P-C4'-P energy: -32.029
tors. eta vs tors. theta energy: -78.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -958.178730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.178730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.178730 (E_RNA)
where:
Base-Base interactions energy: -658.922
where: short stacking energy: -275.606
Base-Backbone interact. energy: -0.846
local terms energy: -298.410973
where:
bonds (distance) C4'-P energy: -53.228
bonds (distance) P-C4' energy: -51.763
flat angles C4'-P-C4' energy: -63.997
flat angles P-C4'-P energy: -43.968
tors. eta vs tors. theta energy: -85.456
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: 2
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -908.072677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.072677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.072677 (E_RNA)
where:
Base-Base interactions energy: -606.017
where: short stacking energy: -269.158
Base-Backbone interact. energy: -0.962
local terms energy: -301.094149
where:
bonds (distance) C4'-P energy: -54.848
bonds (distance) P-C4' energy: -59.073
flat angles C4'-P-C4' energy: -64.566
flat angles P-C4'-P energy: -39.128
tors. eta vs tors. theta energy: -83.479
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: 8
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -844.902674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.902674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.902674 (E_RNA)
where:
Base-Base interactions energy: -572.594
where: short stacking energy: -242.639
Base-Backbone interact. energy: -1.549
local terms energy: -270.758897
where:
bonds (distance) C4'-P energy: -50.592
bonds (distance) P-C4' energy: -52.178
flat angles C4'-P-C4' energy: -46.656
flat angles P-C4'-P energy: -45.079
tors. eta vs tors. theta energy: -76.255
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: 444
Temperature: 1.150000
Total energy: -788.995263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.995263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.995263 (E_RNA)
where:
Base-Base interactions energy: -531.793
where: short stacking energy: -238.155
Base-Backbone interact. energy: -0.607
local terms energy: -256.594616
where:
bonds (distance) C4'-P energy: -43.113
bonds (distance) P-C4' energy: -42.643
flat angles C4'-P-C4' energy: -60.667
flat angles P-C4'-P energy: -38.559
tors. eta vs tors. theta energy: -71.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -637.841822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.841822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.841822 (E_RNA)
where:
Base-Base interactions energy: -426.374
where: short stacking energy: -192.868
Base-Backbone interact. energy: -0.365
local terms energy: -211.103453
where:
bonds (distance) C4'-P energy: -35.971
bonds (distance) P-C4' energy: -36.888
flat angles C4'-P-C4' energy: -54.479
flat angles P-C4'-P energy: -38.964
tors. eta vs tors. theta energy: -44.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -565.406135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.406135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.406135 (E_RNA)
where:
Base-Base interactions energy: -368.750
where: short stacking energy: -170.155
Base-Backbone interact. energy: -1.397
local terms energy: -195.258797
where:
bonds (distance) C4'-P energy: -33.977
bonds (distance) P-C4' energy: -54.461
flat angles C4'-P-C4' energy: -36.469
flat angles P-C4'-P energy: -32.155
tors. eta vs tors. theta energy: -38.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -565.895608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -565.895608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -565.895608 (E_RNA)
where:
Base-Base interactions energy: -368.522
where: short stacking energy: -174.276
Base-Backbone interact. energy: -1.304
local terms energy: -196.069509
where:
bonds (distance) C4'-P energy: -52.714
bonds (distance) P-C4' energy: -39.649
flat angles C4'-P-C4' energy: -42.045
flat angles P-C4'-P energy: -26.666
tors. eta vs tors. theta energy: -34.995
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: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -348.063713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -348.063713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -348.063713 (E_RNA)
where:
Base-Base interactions energy: -169.911
where: short stacking energy: -97.537
Base-Backbone interact. energy: 0.264
local terms energy: -178.416194
where:
bonds (distance) C4'-P energy: -40.861
bonds (distance) P-C4' energy: -57.903
flat angles C4'-P-C4' energy: -44.840
flat angles P-C4'-P energy: -27.439
tors. eta vs tors. theta energy: -7.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1043.872836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.872836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.872836 (E_RNA)
where:
Base-Base interactions energy: -724.048
where: short stacking energy: -293.165
Base-Backbone interact. energy: -1.402
local terms energy: -318.423596
where:
bonds (distance) C4'-P energy: -60.411
bonds (distance) P-C4' energy: -60.432
flat angles C4'-P-C4' energy: -56.580
flat angles P-C4'-P energy: -49.616
tors. eta vs tors. theta energy: -91.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -954.171321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.171321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.171321 (E_RNA)
where:
Base-Base interactions energy: -661.342
where: short stacking energy: -292.850
Base-Backbone interact. energy: -0.427
local terms energy: -292.403239
where:
bonds (distance) C4'-P energy: -53.682
bonds (distance) P-C4' energy: -65.085
flat angles C4'-P-C4' energy: -59.131
flat angles P-C4'-P energy: -35.983
tors. eta vs tors. theta energy: -78.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -956.703957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.703957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.703957 (E_RNA)
where:
Base-Base interactions energy: -672.868
where: short stacking energy: -284.641
Base-Backbone interact. energy: 2.205
local terms energy: -286.041134
where:
bonds (distance) C4'-P energy: -46.800
bonds (distance) P-C4' energy: -58.688
flat angles C4'-P-C4' energy: -59.525
flat angles P-C4'-P energy: -40.138
tors. eta vs tors. theta energy: -80.890
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: 2
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -890.513539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -890.513539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -890.513539 (E_RNA)
where:
Base-Base interactions energy: -602.487
where: short stacking energy: -281.749
Base-Backbone interact. energy: -0.253
local terms energy: -287.772706
where:
bonds (distance) C4'-P energy: -54.023
bonds (distance) P-C4' energy: -53.035
flat angles C4'-P-C4' energy: -58.704
flat angles P-C4'-P energy: -40.973
tors. eta vs tors. theta energy: -81.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -845.389551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.389551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.389551 (E_RNA)
where:
Base-Base interactions energy: -571.325
where: short stacking energy: -242.921
Base-Backbone interact. energy: -0.755
local terms energy: -273.310260
where:
bonds (distance) C4'-P energy: -51.799
bonds (distance) P-C4' energy: -49.558
flat angles C4'-P-C4' energy: -60.421
flat angles P-C4'-P energy: -41.557
tors. eta vs tors. theta energy: -69.975
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: 5
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -790.923849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.923849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.923849 (E_RNA)
where:
Base-Base interactions energy: -551.647
where: short stacking energy: -223.892
Base-Backbone interact. energy: -0.620
local terms energy: -238.657214
where:
bonds (distance) C4'-P energy: -44.799
bonds (distance) P-C4' energy: -57.429
flat angles C4'-P-C4' energy: -43.932
flat angles P-C4'-P energy: -24.358
tors. eta vs tors. theta energy: -68.139
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: 10
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -647.729908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.729908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.729908 (E_RNA)
where:
Base-Base interactions energy: -428.638
where: short stacking energy: -187.324
Base-Backbone interact. energy: -1.313
local terms energy: -217.779238
where:
bonds (distance) C4'-P energy: -44.566
bonds (distance) P-C4' energy: -47.602
flat angles C4'-P-C4' energy: -57.762
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -48.692
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: 9
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -554.615111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -554.615111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -554.615111 (E_RNA)
where:
Base-Base interactions energy: -342.866
where: short stacking energy: -151.181
Base-Backbone interact. energy: -1.227
local terms energy: -210.521851
where:
bonds (distance) C4'-P energy: -44.255
bonds (distance) P-C4' energy: -45.798
flat angles C4'-P-C4' energy: -49.735
flat angles P-C4'-P energy: -34.625
tors. eta vs tors. theta energy: -36.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -520.593620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -520.593620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -520.593620 (E_RNA)
where:
Base-Base interactions energy: -316.344
where: short stacking energy: -148.527
Base-Backbone interact. energy: -1.693
local terms energy: -202.556610
where:
bonds (distance) C4'-P energy: -50.238
bonds (distance) P-C4' energy: -44.635
flat angles C4'-P-C4' energy: -50.799
flat angles P-C4'-P energy: -21.125
tors. eta vs tors. theta energy: -35.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -351.477682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.477682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.477682 (E_RNA)
where:
Base-Base interactions energy: -185.543
where: short stacking energy: -86.868
Base-Backbone interact. energy: -0.792
local terms energy: -165.142397
where:
bonds (distance) C4'-P energy: -54.153
bonds (distance) P-C4' energy: -37.555
flat angles C4'-P-C4' energy: -49.242
flat angles P-C4'-P energy: -23.426
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1028.457257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.457257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.457257 (E_RNA)
where:
Base-Base interactions energy: -717.357
where: short stacking energy: -300.228
Base-Backbone interact. energy: -1.050
local terms energy: -310.050873
where:
bonds (distance) C4'-P energy: -49.259
bonds (distance) P-C4' energy: -58.618
flat angles C4'-P-C4' energy: -66.170
flat angles P-C4'-P energy: -46.865
tors. eta vs tors. theta energy: -89.139
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: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -974.262741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -974.262741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -974.262741 (E_RNA)
where:
Base-Base interactions energy: -667.589
where: short stacking energy: -275.915
Base-Backbone interact. energy: -0.670
local terms energy: -306.003837
where:
bonds (distance) C4'-P energy: -67.481
bonds (distance) P-C4' energy: -58.235
flat angles C4'-P-C4' energy: -58.748
flat angles P-C4'-P energy: -40.284
tors. eta vs tors. theta energy: -81.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -927.867867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.867867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.867867 (E_RNA)
where:
Base-Base interactions energy: -621.220
where: short stacking energy: -278.757
Base-Backbone interact. energy: 0.057
local terms energy: -306.704716
where:
bonds (distance) C4'-P energy: -58.960
bonds (distance) P-C4' energy: -61.245
flat angles C4'-P-C4' energy: -61.464
flat angles P-C4'-P energy: -39.877
tors. eta vs tors. theta energy: -85.159
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: 4, replica: 4
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -937.338693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.338693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.338693 (E_RNA)
where:
Base-Base interactions energy: -645.304
where: short stacking energy: -284.793
Base-Backbone interact. energy: -0.167
local terms energy: -291.868003
where:
bonds (distance) C4'-P energy: -57.270
bonds (distance) P-C4' energy: -53.137
flat angles C4'-P-C4' energy: -58.108
flat angles P-C4'-P energy: -37.235
tors. eta vs tors. theta energy: -86.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -846.892161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.892161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.892161 (E_RNA)
where:
Base-Base interactions energy: -597.273
where: short stacking energy: -247.779
Base-Backbone interact. energy: -1.433
local terms energy: -248.186272
where:
bonds (distance) C4'-P energy: -48.230
bonds (distance) P-C4' energy: -51.040
flat angles C4'-P-C4' energy: -47.960
flat angles P-C4'-P energy: -29.825
tors. eta vs tors. theta energy: -71.131
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: 446
Temperature: 1.150000
Total energy: -790.226230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.226230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.226230 (E_RNA)
where:
Base-Base interactions energy: -524.956
where: short stacking energy: -238.224
Base-Backbone interact. energy: -0.187
local terms energy: -265.083929
where:
bonds (distance) C4'-P energy: -57.987
bonds (distance) P-C4' energy: -51.764
flat angles C4'-P-C4' energy: -53.363
flat angles P-C4'-P energy: -33.883
tors. eta vs tors. theta energy: -68.088
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: 10
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -653.093563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -653.093563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -653.093563 (E_RNA)
where:
Base-Base interactions energy: -429.415
where: short stacking energy: -200.583
Base-Backbone interact. energy: -0.267
local terms energy: -223.411552
where:
bonds (distance) C4'-P energy: -55.962
bonds (distance) P-C4' energy: -42.771
flat angles C4'-P-C4' energy: -39.852
flat angles P-C4'-P energy: -37.486
tors. eta vs tors. theta energy: -47.340
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: 9
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -540.873215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -540.873215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -540.873215 (E_RNA)
where:
Base-Base interactions energy: -350.316
where: short stacking energy: -163.106
Base-Backbone interact. energy: -1.408
local terms energy: -189.149231
where:
bonds (distance) C4'-P energy: -45.618
bonds (distance) P-C4' energy: -32.844
flat angles C4'-P-C4' energy: -50.116
flat angles P-C4'-P energy: -23.409
tors. eta vs tors. theta energy: -37.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -527.494023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -527.494023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -527.494023 (E_RNA)
where:
Base-Base interactions energy: -311.017
where: short stacking energy: -146.953
Base-Backbone interact. energy: 2.224
local terms energy: -218.700728
where:
bonds (distance) C4'-P energy: -53.176
bonds (distance) P-C4' energy: -57.198
flat angles C4'-P-C4' energy: -39.203
flat angles P-C4'-P energy: -35.372
tors. eta vs tors. theta energy: -33.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -349.928161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.928161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.928161 (E_RNA)
where:
Base-Base interactions energy: -170.722
where: short stacking energy: -106.120
Base-Backbone interact. energy: -0.469
local terms energy: -178.736937
where:
bonds (distance) C4'-P energy: -53.678
bonds (distance) P-C4' energy: -45.203
flat angles C4'-P-C4' energy: -30.599
flat angles P-C4'-P energy: -38.901
tors. eta vs tors. theta energy: -10.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1040.738257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.738257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.738257 (E_RNA)
where:
Base-Base interactions energy: -713.181
where: short stacking energy: -313.748
Base-Backbone interact. energy: 1.914
local terms energy: -329.471216
where:
bonds (distance) C4'-P energy: -54.688
bonds (distance) P-C4' energy: -66.746
flat angles C4'-P-C4' energy: -66.847
flat angles P-C4'-P energy: -43.597
tors. eta vs tors. theta energy: -97.593
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: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -979.402721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.402721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.402721 (E_RNA)
where:
Base-Base interactions energy: -668.702
where: short stacking energy: -290.768
Base-Backbone interact. energy: -0.208
local terms energy: -310.492496
where:
bonds (distance) C4'-P energy: -66.886
bonds (distance) P-C4' energy: -54.884
flat angles C4'-P-C4' energy: -64.330
flat angles P-C4'-P energy: -40.528
tors. eta vs tors. theta energy: -83.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -920.194418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.194418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.194418 (E_RNA)
where:
Base-Base interactions energy: -633.853
where: short stacking energy: -254.893
Base-Backbone interact. energy: -0.756
local terms energy: -285.585736
where:
bonds (distance) C4'-P energy: -53.619
bonds (distance) P-C4' energy: -55.840
flat angles C4'-P-C4' energy: -61.622
flat angles P-C4'-P energy: -37.302
tors. eta vs tors. theta energy: -77.203
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: 4
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -919.053481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.053481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.053481 (E_RNA)
where:
Base-Base interactions energy: -648.733
where: short stacking energy: -270.884
Base-Backbone interact. energy: 1.817
local terms energy: -272.136923
where:
bonds (distance) C4'-P energy: -45.677
bonds (distance) P-C4' energy: -49.729
flat angles C4'-P-C4' energy: -56.225
flat angles P-C4'-P energy: -44.729
tors. eta vs tors. theta energy: -75.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -873.238641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.238641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.238641 (E_RNA)
where:
Base-Base interactions energy: -591.248
where: short stacking energy: -262.449
Base-Backbone interact. energy: -0.230
local terms energy: -281.760638
where:
bonds (distance) C4'-P energy: -49.629
bonds (distance) P-C4' energy: -54.041
flat angles C4'-P-C4' energy: -62.354
flat angles P-C4'-P energy: -38.715
tors. eta vs tors. theta energy: -77.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -761.084507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.084507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.084507 (E_RNA)
where:
Base-Base interactions energy: -516.041
where: short stacking energy: -217.337
Base-Backbone interact. energy: -1.154
local terms energy: -243.889080
where:
bonds (distance) C4'-P energy: -53.259
bonds (distance) P-C4' energy: -47.239
flat angles C4'-P-C4' energy: -55.183
flat angles P-C4'-P energy: -26.107
tors. eta vs tors. theta energy: -62.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -666.129436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.129436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.129436 (E_RNA)
where:
Base-Base interactions energy: -424.011
where: short stacking energy: -208.293
Base-Backbone interact. energy: -0.254
local terms energy: -241.865243
where:
bonds (distance) C4'-P energy: -43.565
bonds (distance) P-C4' energy: -47.802
flat angles C4'-P-C4' energy: -56.165
flat angles P-C4'-P energy: -40.520
tors. eta vs tors. theta energy: -53.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -573.702284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.702284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.702284 (E_RNA)
where:
Base-Base interactions energy: -354.663
where: short stacking energy: -148.356
Base-Backbone interact. energy: -0.262
local terms energy: -218.777068
where:
bonds (distance) C4'-P energy: -55.884
bonds (distance) P-C4' energy: -53.247
flat angles C4'-P-C4' energy: -48.796
flat angles P-C4'-P energy: -30.058
tors. eta vs tors. theta energy: -30.792
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: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -533.340544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -533.340544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -533.340544 (E_RNA)
where:
Base-Base interactions energy: -348.558
where: short stacking energy: -155.568
Base-Backbone interact. energy: -0.295
local terms energy: -184.488247
where:
bonds (distance) C4'-P energy: -23.299
bonds (distance) P-C4' energy: -47.630
flat angles C4'-P-C4' energy: -47.678
flat angles P-C4'-P energy: -37.064
tors. eta vs tors. theta energy: -28.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -337.420077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.420077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.420077 (E_RNA)
where:
Base-Base interactions energy: -189.530
where: short stacking energy: -111.831
Base-Backbone interact. energy: -1.834
local terms energy: -146.056291
where:
bonds (distance) C4'-P energy: -45.093
bonds (distance) P-C4' energy: -41.705
flat angles C4'-P-C4' energy: -31.306
flat angles P-C4'-P energy: -21.313
tors. eta vs tors. theta energy: -6.640
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: 1, replica: 7
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1046.225535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.225535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.225535 (E_RNA)
where:
Base-Base interactions energy: -741.459
where: short stacking energy: -299.540
Base-Backbone interact. energy: -1.971
local terms energy: -302.795694
where:
bonds (distance) C4'-P energy: -54.246
bonds (distance) P-C4' energy: -54.079
flat angles C4'-P-C4' energy: -66.586
flat angles P-C4'-P energy: -36.777
tors. eta vs tors. theta energy: -91.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -980.993860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.993860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.993860 (E_RNA)
where:
Base-Base interactions energy: -673.381
where: short stacking energy: -279.978
Base-Backbone interact. energy: 0.879
local terms energy: -308.491863
where:
bonds (distance) C4'-P energy: -52.495
bonds (distance) P-C4' energy: -63.591
flat angles C4'-P-C4' energy: -66.690
flat angles P-C4'-P energy: -45.108
tors. eta vs tors. theta energy: -80.608
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: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -958.178013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.178013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.178013 (E_RNA)
where:
Base-Base interactions energy: -672.848
where: short stacking energy: -272.159
Base-Backbone interact. energy: 0.477
local terms energy: -285.806654
where:
bonds (distance) C4'-P energy: -52.281
bonds (distance) P-C4' energy: -53.353
flat angles C4'-P-C4' energy: -62.529
flat angles P-C4'-P energy: -32.435
tors. eta vs tors. theta energy: -85.209
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: 2
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -914.498792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -914.498792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -914.498792 (E_RNA)
where:
Base-Base interactions energy: -631.026
where: short stacking energy: -283.915
Base-Backbone interact. energy: -0.314
local terms energy: -283.159177
where:
bonds (distance) C4'-P energy: -53.700
bonds (distance) P-C4' energy: -44.700
flat angles C4'-P-C4' energy: -59.669
flat angles P-C4'-P energy: -41.970
tors. eta vs tors. theta energy: -83.120
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: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -847.816615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.816615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.816615 (E_RNA)
where:
Base-Base interactions energy: -578.030
where: short stacking energy: -253.699
Base-Backbone interact. energy: -1.540
local terms energy: -268.246433
where:
bonds (distance) C4'-P energy: -55.347
bonds (distance) P-C4' energy: -46.675
flat angles C4'-P-C4' energy: -58.639
flat angles P-C4'-P energy: -36.566
tors. eta vs tors. theta energy: -71.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -763.874154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.874154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.874154 (E_RNA)
where:
Base-Base interactions energy: -504.907
where: short stacking energy: -236.795
Base-Backbone interact. energy: 1.858
local terms energy: -260.825540
where:
bonds (distance) C4'-P energy: -49.579
bonds (distance) P-C4' energy: -55.231
flat angles C4'-P-C4' energy: -61.296
flat angles P-C4'-P energy: -32.247
tors. eta vs tors. theta energy: -62.472
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: 448
Temperature: 1.200000
Total energy: -610.765138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -610.765138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -610.765138 (E_RNA)
where:
Base-Base interactions energy: -388.312
where: short stacking energy: -173.841
Base-Backbone interact. energy: -0.801
local terms energy: -221.651564
where:
bonds (distance) C4'-P energy: -41.206
bonds (distance) P-C4' energy: -53.205
flat angles C4'-P-C4' energy: -54.977
flat angles P-C4'-P energy: -33.731
tors. eta vs tors. theta energy: -38.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -590.333575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.333575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.333575 (E_RNA)
where:
Base-Base interactions energy: -375.681
where: short stacking energy: -162.746
Base-Backbone interact. energy: 2.760
local terms energy: -217.412714
where:
bonds (distance) C4'-P energy: -51.002
bonds (distance) P-C4' energy: -44.142
flat angles C4'-P-C4' energy: -49.613
flat angles P-C4'-P energy: -35.944
tors. eta vs tors. theta energy: -36.712
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: 9
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -526.777400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.777400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.777400 (E_RNA)
where:
Base-Base interactions energy: -337.562
where: short stacking energy: -139.577
Base-Backbone interact. energy: 0.147
local terms energy: -189.362903
where:
bonds (distance) C4'-P energy: -40.009
bonds (distance) P-C4' energy: -56.698
flat angles C4'-P-C4' energy: -45.595
flat angles P-C4'-P energy: -26.503
tors. eta vs tors. theta energy: -20.557
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: 3
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -350.511926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.511926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.511926 (E_RNA)
where:
Base-Base interactions energy: -163.062
where: short stacking energy: -86.911
Base-Backbone interact. energy: 2.363
local terms energy: -189.813028
where:
bonds (distance) C4'-P energy: -63.192
bonds (distance) P-C4' energy: -47.532
flat angles C4'-P-C4' energy: -46.117
flat angles P-C4'-P energy: -32.745
tors. eta vs tors. theta energy: -0.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1053.473083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.473083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.473083 (E_RNA)
where:
Base-Base interactions energy: -738.918
where: short stacking energy: -314.053
Base-Backbone interact. energy: -1.201
local terms energy: -313.354142
where:
bonds (distance) C4'-P energy: -52.528
bonds (distance) P-C4' energy: -59.170
flat angles C4'-P-C4' energy: -64.912
flat angles P-C4'-P energy: -41.034
tors. eta vs tors. theta energy: -95.710
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: 2, replica: 4
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -977.050981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.050981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.050981 (E_RNA)
where:
Base-Base interactions energy: -666.241
where: short stacking energy: -283.667
Base-Backbone interact. energy: -0.376
local terms energy: -310.433652
where:
bonds (distance) C4'-P energy: -61.481
bonds (distance) P-C4' energy: -54.521
flat angles C4'-P-C4' energy: -64.990
flat angles P-C4'-P energy: -43.394
tors. eta vs tors. theta energy: -86.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -933.349368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.349368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.349368 (E_RNA)
where:
Base-Base interactions energy: -642.605
where: short stacking energy: -255.185
Base-Backbone interact. energy: -0.614
local terms energy: -290.130736
where:
bonds (distance) C4'-P energy: -46.879
bonds (distance) P-C4' energy: -51.235
flat angles C4'-P-C4' energy: -65.111
flat angles P-C4'-P energy: -43.399
tors. eta vs tors. theta energy: -83.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -901.547404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.547404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.547404 (E_RNA)
where:
Base-Base interactions energy: -611.126
where: short stacking energy: -272.436
Base-Backbone interact. energy: -0.664
local terms energy: -289.757026
where:
bonds (distance) C4'-P energy: -57.994
bonds (distance) P-C4' energy: -53.381
flat angles C4'-P-C4' energy: -56.469
flat angles P-C4'-P energy: -41.218
tors. eta vs tors. theta energy: -80.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -862.580037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.580037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.580037 (E_RNA)
where:
Base-Base interactions energy: -583.425
where: short stacking energy: -256.627
Base-Backbone interact. energy: -1.908
local terms energy: -277.246723
where:
bonds (distance) C4'-P energy: -46.806
bonds (distance) P-C4' energy: -51.215
flat angles C4'-P-C4' energy: -58.332
flat angles P-C4'-P energy: -44.542
tors. eta vs tors. theta energy: -76.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -752.105095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.105095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.105095 (E_RNA)
where:
Base-Base interactions energy: -524.487
where: short stacking energy: -219.922
Base-Backbone interact. energy: -0.737
local terms energy: -226.881683
where:
bonds (distance) C4'-P energy: -41.904
bonds (distance) P-C4' energy: -48.306
flat angles C4'-P-C4' energy: -53.220
flat angles P-C4'-P energy: -32.302
tors. eta vs tors. theta energy: -51.150
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: 7, replica: 10
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -662.692105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -662.692105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -662.692105 (E_RNA)
where:
Base-Base interactions energy: -441.518
where: short stacking energy: -198.963
Base-Backbone interact. energy: -0.639
local terms energy: -220.535328
where:
bonds (distance) C4'-P energy: -43.528
bonds (distance) P-C4' energy: -52.813
flat angles C4'-P-C4' energy: -51.536
flat angles P-C4'-P energy: -17.604
tors. eta vs tors. theta energy: -55.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -574.258263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.258263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.258263 (E_RNA)
where:
Base-Base interactions energy: -356.325
where: short stacking energy: -154.459
Base-Backbone interact. energy: -1.026
local terms energy: -216.907495
where:
bonds (distance) C4'-P energy: -38.892
bonds (distance) P-C4' energy: -53.844
flat angles C4'-P-C4' energy: -55.536
flat angles P-C4'-P energy: -36.027
tors. eta vs tors. theta energy: -32.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -528.943094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -528.943094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -528.943094 (E_RNA)
where:
Base-Base interactions energy: -330.462
where: short stacking energy: -158.569
Base-Backbone interact. energy: -1.097
local terms energy: -197.384235
where:
bonds (distance) C4'-P energy: -38.665
bonds (distance) P-C4' energy: -45.512
flat angles C4'-P-C4' energy: -44.348
flat angles P-C4'-P energy: -36.274
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: 10, replica: 3
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -349.382117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -349.382117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -349.382117 (E_RNA)
where:
Base-Base interactions energy: -187.478
where: short stacking energy: -107.975
Base-Backbone interact. energy: -0.425
local terms energy: -161.478985
where:
bonds (distance) C4'-P energy: -45.581
bonds (distance) P-C4' energy: -45.327
flat angles C4'-P-C4' energy: -35.516
flat angles P-C4'-P energy: -26.962
tors. eta vs tors. theta energy: -8.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1050.723920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.723920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.723920 (E_RNA)
where:
Base-Base interactions energy: -732.550
where: short stacking energy: -296.936
Base-Backbone interact. energy: -2.156
local terms energy: -316.018041
where:
bonds (distance) C4'-P energy: -56.880
bonds (distance) P-C4' energy: -55.748
flat angles C4'-P-C4' energy: -65.568
flat angles P-C4'-P energy: -48.542
tors. eta vs tors. theta energy: -89.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -997.907980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -997.907980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -997.907980 (E_RNA)
where:
Base-Base interactions energy: -698.887
where: short stacking energy: -297.662
Base-Backbone interact. energy: 0.024
local terms energy: -299.044919
where:
bonds (distance) C4'-P energy: -48.159
bonds (distance) P-C4' energy: -52.900
flat angles C4'-P-C4' energy: -63.087
flat angles P-C4'-P energy: -45.930
tors. eta vs tors. theta energy: -88.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -956.231164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.231164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.231164 (E_RNA)
where:
Base-Base interactions energy: -662.704
where: short stacking energy: -279.387
Base-Backbone interact. energy: -0.357
local terms energy: -293.170024
where:
bonds (distance) C4'-P energy: -55.212
bonds (distance) P-C4' energy: -53.266
flat angles C4'-P-C4' energy: -64.219
flat angles P-C4'-P energy: -37.448
tors. eta vs tors. theta energy: -83.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -875.946427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.946427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.946427 (E_RNA)
where:
Base-Base interactions energy: -578.130
where: short stacking energy: -257.756
Base-Backbone interact. energy: -2.125
local terms energy: -295.691079
where:
bonds (distance) C4'-P energy: -52.445
bonds (distance) P-C4' energy: -57.034
flat angles C4'-P-C4' energy: -57.297
flat angles P-C4'-P energy: -43.914
tors. eta vs tors. theta energy: -85.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -875.292942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.292942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.292942 (E_RNA)
where:
Base-Base interactions energy: -601.067
where: short stacking energy: -259.414
Base-Backbone interact. energy: -0.467
local terms energy: -273.759182
where:
bonds (distance) C4'-P energy: -58.132
bonds (distance) P-C4' energy: -42.701
flat angles C4'-P-C4' energy: -58.185
flat angles P-C4'-P energy: -39.792
tors. eta vs tors. theta energy: -74.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -746.183484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.183484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.183484 (E_RNA)
where:
Base-Base interactions energy: -491.250
where: short stacking energy: -211.240
Base-Backbone interact. energy: 1.327
local terms energy: -256.260067
where:
bonds (distance) C4'-P energy: -49.583
bonds (distance) P-C4' energy: -47.948
flat angles C4'-P-C4' energy: -61.111
flat angles P-C4'-P energy: -51.980
tors. eta vs tors. theta energy: -45.637
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: 10
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -657.593413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.593413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.593413 (E_RNA)
where:
Base-Base interactions energy: -425.893
where: short stacking energy: -191.919
Base-Backbone interact. energy: -0.291
local terms energy: -231.409641
where:
bonds (distance) C4'-P energy: -46.869
bonds (distance) P-C4' energy: -48.653
flat angles C4'-P-C4' energy: -48.613
flat angles P-C4'-P energy: -33.944
tors. eta vs tors. theta energy: -53.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -559.202629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -559.202629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -559.202629 (E_RNA)
where:
Base-Base interactions energy: -364.633
where: short stacking energy: -161.984
Base-Backbone interact. energy: 2.868
local terms energy: -197.437555
where:
bonds (distance) C4'-P energy: -46.181
bonds (distance) P-C4' energy: -50.468
flat angles C4'-P-C4' energy: -45.103
flat angles P-C4'-P energy: -21.566
tors. eta vs tors. theta energy: -34.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -518.407609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -518.407609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -518.407609 (E_RNA)
where:
Base-Base interactions energy: -322.712
where: short stacking energy: -132.218
Base-Backbone interact. energy: -0.772
local terms energy: -194.924346
where:
bonds (distance) C4'-P energy: -47.932
bonds (distance) P-C4' energy: -38.291
flat angles C4'-P-C4' energy: -53.049
flat angles P-C4'-P energy: -30.884
tors. eta vs tors. theta energy: -24.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -369.169935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.169935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.169935 (E_RNA)
where:
Base-Base interactions energy: -201.160
where: short stacking energy: -109.263
Base-Backbone interact. energy: -0.829
local terms energy: -167.180832
where:
bonds (distance) C4'-P energy: -35.205
bonds (distance) P-C4' energy: -60.636
flat angles C4'-P-C4' energy: -36.514
flat angles P-C4'-P energy: -20.003
tors. eta vs tors. theta energy: -14.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1058.910134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.910134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.910134 (E_RNA)
where:
Base-Base interactions energy: -742.484
where: short stacking energy: -295.287
Base-Backbone interact. energy: -1.352
local terms energy: -315.073913
where:
bonds (distance) C4'-P energy: -57.685
bonds (distance) P-C4' energy: -60.930
flat angles C4'-P-C4' energy: -66.253
flat angles P-C4'-P energy: -40.855
tors. eta vs tors. theta energy: -89.351
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: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -989.521821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.521821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.521821 (E_RNA)
where:
Base-Base interactions energy: -696.905
where: short stacking energy: -301.181
Base-Backbone interact. energy: -0.619
local terms energy: -291.998633
where:
bonds (distance) C4'-P energy: -47.002
bonds (distance) P-C4' energy: -54.793
flat angles C4'-P-C4' energy: -67.934
flat angles P-C4'-P energy: -39.276
tors. eta vs tors. theta energy: -82.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -924.451034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.451034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.451034 (E_RNA)
where:
Base-Base interactions energy: -637.371
where: short stacking energy: -281.094
Base-Backbone interact. energy: 1.469
local terms energy: -288.549049
where:
bonds (distance) C4'-P energy: -54.891
bonds (distance) P-C4' energy: -59.410
flat angles C4'-P-C4' energy: -60.451
flat angles P-C4'-P energy: -37.575
tors. eta vs tors. theta energy: -76.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -860.184945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -860.184945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -860.184945 (E_RNA)
where:
Base-Base interactions energy: -577.362
where: short stacking energy: -249.449
Base-Backbone interact. energy: 0.086
local terms energy: -282.909308
where:
bonds (distance) C4'-P energy: -56.711
bonds (distance) P-C4' energy: -43.542
flat angles C4'-P-C4' energy: -63.841
flat angles P-C4'-P energy: -51.518
tors. eta vs tors. theta energy: -67.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -868.424215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.424215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.424215 (E_RNA)
where:
Base-Base interactions energy: -581.306
where: short stacking energy: -261.372
Base-Backbone interact. energy: -0.812
local terms energy: -286.306196
where:
bonds (distance) C4'-P energy: -48.220
bonds (distance) P-C4' energy: -58.162
flat angles C4'-P-C4' energy: -58.282
flat angles P-C4'-P energy: -41.601
tors. eta vs tors. theta energy: -80.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -719.950709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.950709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.950709 (E_RNA)
where:
Base-Base interactions energy: -500.723
where: short stacking energy: -205.695
Base-Backbone interact. energy: 0.283
local terms energy: -219.511017
where:
bonds (distance) C4'-P energy: -46.146
bonds (distance) P-C4' energy: -46.042
flat angles C4'-P-C4' energy: -50.873
flat angles P-C4'-P energy: -27.882
tors. eta vs tors. theta energy: -48.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -631.799285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -631.799285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -631.799285 (E_RNA)
where:
Base-Base interactions energy: -410.177
where: short stacking energy: -193.151
Base-Backbone interact. energy: -0.752
local terms energy: -220.870420
where:
bonds (distance) C4'-P energy: -52.626
bonds (distance) P-C4' energy: -54.556
flat angles C4'-P-C4' energy: -46.064
flat angles P-C4'-P energy: -30.905
tors. eta vs tors. theta energy: -36.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -552.803929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.803929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.803929 (E_RNA)
where:
Base-Base interactions energy: -331.238
where: short stacking energy: -170.038
Base-Backbone interact. energy: -1.544
local terms energy: -220.021527
where:
bonds (distance) C4'-P energy: -50.396
bonds (distance) P-C4' energy: -49.582
flat angles C4'-P-C4' energy: -51.437
flat angles P-C4'-P energy: -36.083
tors. eta vs tors. theta energy: -32.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -529.478743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -529.478743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -529.478743 (E_RNA)
where:
Base-Base interactions energy: -328.463
where: short stacking energy: -162.926
Base-Backbone interact. energy: 0.052
local terms energy: -201.068246
where:
bonds (distance) C4'-P energy: -41.315
bonds (distance) P-C4' energy: -49.026
flat angles C4'-P-C4' energy: -48.079
flat angles P-C4'-P energy: -29.775
tors. eta vs tors. theta energy: -32.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -372.510843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -372.510843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -372.510843 (E_RNA)
where:
Base-Base interactions energy: -196.280
where: short stacking energy: -109.452
Base-Backbone interact. energy: -1.093
local terms energy: -175.137294
where:
bonds (distance) C4'-P energy: -47.780
bonds (distance) P-C4' energy: -50.056
flat angles C4'-P-C4' energy: -40.015
flat angles P-C4'-P energy: -35.774
tors. eta vs tors. theta energy: -1.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1038.127145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.127145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.127145 (E_RNA)
where:
Base-Base interactions energy: -726.914
where: short stacking energy: -294.666
Base-Backbone interact. energy: -1.634
local terms energy: -309.579564
where:
bonds (distance) C4'-P energy: -50.454
bonds (distance) P-C4' energy: -61.551
flat angles C4'-P-C4' energy: -65.343
flat angles P-C4'-P energy: -41.343
tors. eta vs tors. theta energy: -90.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -988.170573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.170573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.170573 (E_RNA)
where:
Base-Base interactions energy: -689.652
where: short stacking energy: -286.338
Base-Backbone interact. energy: -0.509
local terms energy: -298.010303
where:
bonds (distance) C4'-P energy: -52.364
bonds (distance) P-C4' energy: -53.781
flat angles C4'-P-C4' energy: -59.566
flat angles P-C4'-P energy: -45.381
tors. eta vs tors. theta energy: -86.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -933.550102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.550102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.550102 (E_RNA)
where:
Base-Base interactions energy: -642.642
where: short stacking energy: -287.395
Base-Backbone interact. energy: -0.889
local terms energy: -290.018581
where:
bonds (distance) C4'-P energy: -53.114
bonds (distance) P-C4' energy: -49.721
flat angles C4'-P-C4' energy: -67.361
flat angles P-C4'-P energy: -37.036
tors. eta vs tors. theta energy: -82.787
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: 4, replica: 2
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -882.351375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.351375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.351375 (E_RNA)
where:
Base-Base interactions energy: -594.053
where: short stacking energy: -258.815
Base-Backbone interact. energy: -0.873
local terms energy: -287.425256
where:
bonds (distance) C4'-P energy: -52.592
bonds (distance) P-C4' energy: -54.348
flat angles C4'-P-C4' energy: -61.491
flat angles P-C4'-P energy: -40.501
tors. eta vs tors. theta energy: -78.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -831.574080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.574080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.574080 (E_RNA)
where:
Base-Base interactions energy: -568.711
where: short stacking energy: -248.316
Base-Backbone interact. energy: -1.173
local terms energy: -261.689576
where:
bonds (distance) C4'-P energy: -51.007
bonds (distance) P-C4' energy: -49.017
flat angles C4'-P-C4' energy: -55.316
flat angles P-C4'-P energy: -40.817
tors. eta vs tors. theta energy: -65.533
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: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -797.387412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.387412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.387412 (E_RNA)
where:
Base-Base interactions energy: -514.306
where: short stacking energy: -224.741
Base-Backbone interact. energy: -2.289
local terms energy: -280.792743
where:
bonds (distance) C4'-P energy: -56.354
bonds (distance) P-C4' energy: -52.464
flat angles C4'-P-C4' energy: -56.635
flat angles P-C4'-P energy: -42.687
tors. eta vs tors. theta energy: -72.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -625.372301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.372301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.372301 (E_RNA)
where:
Base-Base interactions energy: -405.447
where: short stacking energy: -185.489
Base-Backbone interact. energy: -0.035
local terms energy: -219.890160
where:
bonds (distance) C4'-P energy: -52.968
bonds (distance) P-C4' energy: -41.099
flat angles C4'-P-C4' energy: -38.253
flat angles P-C4'-P energy: -36.912
tors. eta vs tors. theta energy: -50.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -585.083488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -585.083488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -585.083488 (E_RNA)
where:
Base-Base interactions energy: -379.284
where: short stacking energy: -177.223
Base-Backbone interact. energy: -0.890
local terms energy: -204.909695
where:
bonds (distance) C4'-P energy: -46.175
bonds (distance) P-C4' energy: -47.335
flat angles C4'-P-C4' energy: -47.751
flat angles P-C4'-P energy: -27.441
tors. eta vs tors. theta energy: -36.207
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: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -553.171111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -553.171111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -553.171111 (E_RNA)
where:
Base-Base interactions energy: -355.105
where: short stacking energy: -154.752
Base-Backbone interact. energy: -2.153
local terms energy: -195.912537
where:
bonds (distance) C4'-P energy: -43.386
bonds (distance) P-C4' energy: -41.756
flat angles C4'-P-C4' energy: -46.428
flat angles P-C4'-P energy: -33.091
tors. eta vs tors. theta energy: -31.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -369.102712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -369.102712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -369.102712 (E_RNA)
where:
Base-Base interactions energy: -190.099
where: short stacking energy: -122.344
Base-Backbone interact. energy: -2.790
local terms energy: -176.213200
where:
bonds (distance) C4'-P energy: -47.915
bonds (distance) P-C4' energy: -36.967
flat angles C4'-P-C4' energy: -46.286
flat angles P-C4'-P energy: -27.972
tors. eta vs tors. theta energy: -17.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1047.304145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.304145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.304145 (E_RNA)
where:
Base-Base interactions energy: -738.992
where: short stacking energy: -308.724
Base-Backbone interact. energy: -3.701
local terms energy: -304.610768
where:
bonds (distance) C4'-P energy: -57.241
bonds (distance) P-C4' energy: -56.845
flat angles C4'-P-C4' energy: -62.098
flat angles P-C4'-P energy: -39.427
tors. eta vs tors. theta energy: -89.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1015.866936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.866936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.866936 (E_RNA)
where:
Base-Base interactions energy: -711.899
where: short stacking energy: -298.364
Base-Backbone interact. energy: -0.017
local terms energy: -303.950858
where:
bonds (distance) C4'-P energy: -50.388
bonds (distance) P-C4' energy: -56.125
flat angles C4'-P-C4' energy: -66.481
flat angles P-C4'-P energy: -41.104
tors. eta vs tors. theta energy: -89.854
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: 1
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -933.357242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.357242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.357242 (E_RNA)
where:
Base-Base interactions energy: -654.179
where: short stacking energy: -285.155
Base-Backbone interact. energy: -0.224
local terms energy: -278.954332
where:
bonds (distance) C4'-P energy: -50.994
bonds (distance) P-C4' energy: -45.061
flat angles C4'-P-C4' energy: -61.196
flat angles P-C4'-P energy: -36.089
tors. eta vs tors. theta energy: -85.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -869.695760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.695760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.695760 (E_RNA)
where:
Base-Base interactions energy: -578.854
where: short stacking energy: -255.021
Base-Backbone interact. energy: 0.170
local terms energy: -291.011442
where:
bonds (distance) C4'-P energy: -55.498
bonds (distance) P-C4' energy: -59.153
flat angles C4'-P-C4' energy: -58.605
flat angles P-C4'-P energy: -47.281
tors. eta vs tors. theta energy: -70.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -869.305161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -869.305161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -869.305161 (E_RNA)
where:
Base-Base interactions energy: -589.247
where: short stacking energy: -260.320
Base-Backbone interact. energy: -1.981
local terms energy: -278.077341
where:
bonds (distance) C4'-P energy: -46.746
bonds (distance) P-C4' energy: -49.823
flat angles C4'-P-C4' energy: -59.530
flat angles P-C4'-P energy: -36.311
tors. eta vs tors. theta energy: -85.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -811.072758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.072758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.072758 (E_RNA)
where:
Base-Base interactions energy: -559.943
where: short stacking energy: -235.674
Base-Backbone interact. energy: 0.783
local terms energy: -251.912490
where:
bonds (distance) C4'-P energy: -39.318
bonds (distance) P-C4' energy: -50.572
flat angles C4'-P-C4' energy: -55.705
flat angles P-C4'-P energy: -41.163
tors. eta vs tors. theta energy: -65.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -669.250409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.250409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.250409 (E_RNA)
where:
Base-Base interactions energy: -445.127
where: short stacking energy: -213.842
Base-Backbone interact. energy: -1.044
local terms energy: -223.079233
where:
bonds (distance) C4'-P energy: -46.834
bonds (distance) P-C4' energy: -43.333
flat angles C4'-P-C4' energy: -40.169
flat angles P-C4'-P energy: -38.076
tors. eta vs tors. theta energy: -54.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -552.996754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -552.996754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -552.996754 (E_RNA)
where:
Base-Base interactions energy: -358.750
where: short stacking energy: -167.681
Base-Backbone interact. energy: 4.344
local terms energy: -198.590282
where:
bonds (distance) C4'-P energy: -35.789
bonds (distance) P-C4' energy: -56.731
flat angles C4'-P-C4' energy: -42.761
flat angles P-C4'-P energy: -32.177
tors. eta vs tors. theta energy: -31.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -537.364486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.364486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.364486 (E_RNA)
where:
Base-Base interactions energy: -360.433
where: short stacking energy: -182.336
Base-Backbone interact. energy: -1.067
local terms energy: -175.864551
where:
bonds (distance) C4'-P energy: -32.498
bonds (distance) P-C4' energy: -49.116
flat angles C4'-P-C4' energy: -41.248
flat angles P-C4'-P energy: -26.399
tors. eta vs tors. theta energy: -26.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -358.693203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -358.693203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -358.693203 (E_RNA)
where:
Base-Base interactions energy: -185.298
where: short stacking energy: -103.748
Base-Backbone interact. energy: -0.900
local terms energy: -172.495241
where:
bonds (distance) C4'-P energy: -45.062
bonds (distance) P-C4' energy: -52.442
flat angles C4'-P-C4' energy: -30.638
flat angles P-C4'-P energy: -31.873
tors. eta vs tors. theta energy: -12.481
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: 7
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1002.913920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.913920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.913920 (E_RNA)
where:
Base-Base interactions energy: -698.146
where: short stacking energy: -285.008
Base-Backbone interact. energy: -3.169
local terms energy: -301.598586
where:
bonds (distance) C4'-P energy: -47.749
bonds (distance) P-C4' energy: -56.226
flat angles C4'-P-C4' energy: -67.114
flat angles P-C4'-P energy: -44.874
tors. eta vs tors. theta energy: -85.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -992.426586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.426586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.426586 (E_RNA)
where:
Base-Base interactions energy: -691.266
where: short stacking energy: -292.182
Base-Backbone interact. energy: 0.687
local terms energy: -301.847175
where:
bonds (distance) C4'-P energy: -52.114
bonds (distance) P-C4' energy: -54.456
flat angles C4'-P-C4' energy: -62.579
flat angles P-C4'-P energy: -44.865
tors. eta vs tors. theta energy: -87.832
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: 1
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -947.344103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.344103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.344103 (E_RNA)
where:
Base-Base interactions energy: -644.462
where: short stacking energy: -278.175
Base-Backbone interact. energy: -1.141
local terms energy: -301.740859
where:
bonds (distance) C4'-P energy: -52.706
bonds (distance) P-C4' energy: -56.382
flat angles C4'-P-C4' energy: -61.166
flat angles P-C4'-P energy: -46.170
tors. eta vs tors. theta energy: -85.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -854.374789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.374789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.374789 (E_RNA)
where:
Base-Base interactions energy: -579.864
where: short stacking energy: -262.083
Base-Backbone interact. energy: -1.223
local terms energy: -273.287985
where:
bonds (distance) C4'-P energy: -54.481
bonds (distance) P-C4' energy: -44.368
flat angles C4'-P-C4' energy: -63.103
flat angles P-C4'-P energy: -36.734
tors. eta vs tors. theta energy: -74.602
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: 454
Temperature: 1.100000
Total energy: -835.646340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.646340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.646340 (E_RNA)
where:
Base-Base interactions energy: -573.146
where: short stacking energy: -242.550
Base-Backbone interact. energy: -2.686
local terms energy: -259.813758
where:
bonds (distance) C4'-P energy: -49.896
bonds (distance) P-C4' energy: -46.772
flat angles C4'-P-C4' energy: -63.695
flat angles P-C4'-P energy: -33.245
tors. eta vs tors. theta energy: -66.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -826.545672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.545672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.545672 (E_RNA)
where:
Base-Base interactions energy: -573.162
where: short stacking energy: -257.674
Base-Backbone interact. energy: -0.796
local terms energy: -252.587768
where:
bonds (distance) C4'-P energy: -41.544
bonds (distance) P-C4' energy: -46.892
flat angles C4'-P-C4' energy: -57.054
flat angles P-C4'-P energy: -36.434
tors. eta vs tors. theta energy: -70.664
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: 454
Temperature: 1.200000
Total energy: -654.516573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -654.516573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -654.516573 (E_RNA)
where:
Base-Base interactions energy: -405.599
where: short stacking energy: -177.520
Base-Backbone interact. energy: -0.995
local terms energy: -247.923080
where:
bonds (distance) C4'-P energy: -50.134
bonds (distance) P-C4' energy: -56.043
flat angles C4'-P-C4' energy: -60.294
flat angles P-C4'-P energy: -32.205
tors. eta vs tors. theta energy: -49.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -600.422268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.422268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.422268 (E_RNA)
where:
Base-Base interactions energy: -380.160
where: short stacking energy: -202.552
Base-Backbone interact. energy: -1.086
local terms energy: -219.176590
where:
bonds (distance) C4'-P energy: -45.082
bonds (distance) P-C4' energy: -40.968
flat angles C4'-P-C4' energy: -47.685
flat angles P-C4'-P energy: -37.138
tors. eta vs tors. theta energy: -48.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -353.653004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.653004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.653004 (E_RNA)
where:
Base-Base interactions energy: -184.096
where: short stacking energy: -99.893
Base-Backbone interact. energy: 3.904
local terms energy: -173.461390
where:
bonds (distance) C4'-P energy: -56.263
bonds (distance) P-C4' energy: -48.680
flat angles C4'-P-C4' energy: -43.904
flat angles P-C4'-P energy: -24.582
tors. eta vs tors. theta energy: -0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -507.561923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.561923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.561923 (E_RNA)
where:
Base-Base interactions energy: -319.067
where: short stacking energy: -127.000
Base-Backbone interact. energy: -0.647
local terms energy: -187.847994
where:
bonds (distance) C4'-P energy: -44.683
bonds (distance) P-C4' energy: -57.976
flat angles C4'-P-C4' energy: -33.788
flat angles P-C4'-P energy: -34.167
tors. eta vs tors. theta energy: -17.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1004.768588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.768588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.768588 (E_RNA)
where:
Base-Base interactions energy: -716.044
where: short stacking energy: -304.587
Base-Backbone interact. energy: -0.767
local terms energy: -287.957851
where:
bonds (distance) C4'-P energy: -43.839
bonds (distance) P-C4' energy: -51.462
flat angles C4'-P-C4' energy: -59.469
flat angles P-C4'-P energy: -44.718
tors. eta vs tors. theta energy: -88.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1013.739041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.739041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.739041 (E_RNA)
where:
Base-Base interactions energy: -710.630
where: short stacking energy: -305.342
Base-Backbone interact. energy: -0.654
local terms energy: -302.454113
where:
bonds (distance) C4'-P energy: -54.596
bonds (distance) P-C4' energy: -60.302
flat angles C4'-P-C4' energy: -61.869
flat angles P-C4'-P energy: -37.216
tors. eta vs tors. theta energy: -88.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -937.947696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.947696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.947696 (E_RNA)
where:
Base-Base interactions energy: -641.012
where: short stacking energy: -283.416
Base-Backbone interact. energy: -0.432
local terms energy: -296.504038
where:
bonds (distance) C4'-P energy: -49.628
bonds (distance) P-C4' energy: -50.731
flat angles C4'-P-C4' energy: -64.005
flat angles P-C4'-P energy: -45.294
tors. eta vs tors. theta energy: -86.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -873.671419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -873.671419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -873.671419 (E_RNA)
where:
Base-Base interactions energy: -594.585
where: short stacking energy: -272.719
Base-Backbone interact. energy: -0.710
local terms energy: -278.375962
where:
bonds (distance) C4'-P energy: -39.585
bonds (distance) P-C4' energy: -51.504
flat angles C4'-P-C4' energy: -63.659
flat angles P-C4'-P energy: -36.532
tors. eta vs tors. theta energy: -87.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -824.429233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.429233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.429233 (E_RNA)
where:
Base-Base interactions energy: -566.734
where: short stacking energy: -238.969
Base-Backbone interact. energy: -0.925
local terms energy: -256.769445
where:
bonds (distance) C4'-P energy: -45.178
bonds (distance) P-C4' energy: -54.719
flat angles C4'-P-C4' energy: -55.189
flat angles P-C4'-P energy: -32.107
tors. eta vs tors. theta energy: -69.576
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: 6, replica: 2
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -811.777176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.777176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.777176 (E_RNA)
where:
Base-Base interactions energy: -548.581
where: short stacking energy: -241.190
Base-Backbone interact. energy: -1.135
local terms energy: -262.061420
where:
bonds (distance) C4'-P energy: -44.866
bonds (distance) P-C4' energy: -47.600
flat angles C4'-P-C4' energy: -59.975
flat angles P-C4'-P energy: -39.203
tors. eta vs tors. theta energy: -70.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -625.115863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -625.115863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -625.115863 (E_RNA)
where:
Base-Base interactions energy: -392.368
where: short stacking energy: -181.180
Base-Backbone interact. energy: -0.569
local terms energy: -232.179408
where:
bonds (distance) C4'-P energy: -48.685
bonds (distance) P-C4' energy: -54.470
flat angles C4'-P-C4' energy: -49.584
flat angles P-C4'-P energy: -42.117
tors. eta vs tors. theta energy: -37.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -557.894396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -557.894396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -557.894396 (E_RNA)
where:
Base-Base interactions energy: -319.277
where: short stacking energy: -152.463
Base-Backbone interact. energy: 2.347
local terms energy: -240.965096
where:
bonds (distance) C4'-P energy: -44.971
bonds (distance) P-C4' energy: -62.399
flat angles C4'-P-C4' energy: -47.468
flat angles P-C4'-P energy: -41.080
tors. eta vs tors. theta energy: -45.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -373.667270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -373.667270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -373.667270 (E_RNA)
where:
Base-Base interactions energy: -199.856
where: short stacking energy: -124.907
Base-Backbone interact. energy: 0.225
local terms energy: -174.036010
where:
bonds (distance) C4'-P energy: -45.406
bonds (distance) P-C4' energy: -52.421
flat angles C4'-P-C4' energy: -45.665
flat angles P-C4'-P energy: -20.134
tors. eta vs tors. theta energy: -10.411
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: 10, replica: 6
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -547.486922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -547.486922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -547.486922 (E_RNA)
where:
Base-Base interactions energy: -351.963
where: short stacking energy: -161.494
Base-Backbone interact. energy: 2.677
local terms energy: -198.200514
where:
bonds (distance) C4'-P energy: -49.248
bonds (distance) P-C4' energy: -48.070
flat angles C4'-P-C4' energy: -39.019
flat angles P-C4'-P energy: -27.504
tors. eta vs tors. theta energy: -34.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1018.952815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.952815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.952815 (E_RNA)
where:
Base-Base interactions energy: -706.862
where: short stacking energy: -288.041
Base-Backbone interact. energy: 1.431
local terms energy: -313.521755
where:
bonds (distance) C4'-P energy: -62.202
bonds (distance) P-C4' energy: -59.956
flat angles C4'-P-C4' energy: -62.526
flat angles P-C4'-P energy: -46.158
tors. eta vs tors. theta energy: -82.680
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: 2, replica: 7
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -988.720712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.720712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.720712 (E_RNA)
where:
Base-Base interactions energy: -689.592
where: short stacking energy: -291.456
Base-Backbone interact. energy: -0.363
local terms energy: -298.765737
where:
bonds (distance) C4'-P energy: -56.128
bonds (distance) P-C4' energy: -50.708
flat angles C4'-P-C4' energy: -61.427
flat angles P-C4'-P energy: -42.456
tors. eta vs tors. theta energy: -88.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -902.391070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.391070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.391070 (E_RNA)
where:
Base-Base interactions energy: -606.428
where: short stacking energy: -268.741
Base-Backbone interact. energy: -0.959
local terms energy: -295.003695
where:
bonds (distance) C4'-P energy: -55.329
bonds (distance) P-C4' energy: -55.287
flat angles C4'-P-C4' energy: -60.789
flat angles P-C4'-P energy: -40.087
tors. eta vs tors. theta energy: -83.511
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: 1
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -913.541649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.541649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.541649 (E_RNA)
where:
Base-Base interactions energy: -618.998
where: short stacking energy: -265.553
Base-Backbone interact. energy: -0.897
local terms energy: -293.647406
where:
bonds (distance) C4'-P energy: -54.914
bonds (distance) P-C4' energy: -46.787
flat angles C4'-P-C4' energy: -64.585
flat angles P-C4'-P energy: -39.493
tors. eta vs tors. theta energy: -87.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -813.865139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -813.865139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -813.865139 (E_RNA)
where:
Base-Base interactions energy: -554.254
where: short stacking energy: -232.038
Base-Backbone interact. energy: -0.214
local terms energy: -259.397148
where:
bonds (distance) C4'-P energy: -48.454
bonds (distance) P-C4' energy: -56.228
flat angles C4'-P-C4' energy: -56.327
flat angles P-C4'-P energy: -37.896
tors. eta vs tors. theta energy: -60.492
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: 2
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -811.837383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.837383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.837383 (E_RNA)
where:
Base-Base interactions energy: -546.048
where: short stacking energy: -235.452
Base-Backbone interact. energy: -0.610
local terms energy: -265.178709
where:
bonds (distance) C4'-P energy: -52.507
bonds (distance) P-C4' energy: -45.823
flat angles C4'-P-C4' energy: -60.376
flat angles P-C4'-P energy: -31.232
tors. eta vs tors. theta energy: -75.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -615.268612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -615.268612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -615.268612 (E_RNA)
where:
Base-Base interactions energy: -387.214
where: short stacking energy: -178.335
Base-Backbone interact. energy: 2.065
local terms energy: -230.120012
where:
bonds (distance) C4'-P energy: -46.377
bonds (distance) P-C4' energy: -52.466
flat angles C4'-P-C4' energy: -56.124
flat angles P-C4'-P energy: -31.543
tors. eta vs tors. theta energy: -43.610
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: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -550.533763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -550.533763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -550.533763 (E_RNA)
where:
Base-Base interactions energy: -348.972
where: short stacking energy: -162.765
Base-Backbone interact. energy: -0.475
local terms energy: -201.087030
where:
bonds (distance) C4'-P energy: -46.996
bonds (distance) P-C4' energy: -50.350
flat angles C4'-P-C4' energy: -41.311
flat angles P-C4'-P energy: -24.936
tors. eta vs tors. theta energy: -37.494
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: 9, replica: 6
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -621.288432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -621.288432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -621.288432 (E_RNA)
where:
Base-Base interactions energy: -404.503
where: short stacking energy: -178.046
Base-Backbone interact. energy: -0.085
local terms energy: -216.699789
where:
bonds (distance) C4'-P energy: -50.311
bonds (distance) P-C4' energy: -42.193
flat angles C4'-P-C4' energy: -52.130
flat angles P-C4'-P energy: -29.046
tors. eta vs tors. theta energy: -43.019
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: 3
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -367.934722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -367.934722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -367.934722 (E_RNA)
where:
Base-Base interactions energy: -214.085
where: short stacking energy: -116.198
Base-Backbone interact. energy: -1.440
local terms energy: -152.409086
where:
bonds (distance) C4'-P energy: -43.839
bonds (distance) P-C4' energy: -45.581
flat angles C4'-P-C4' energy: -35.780
flat angles P-C4'-P energy: -20.487
tors. eta vs tors. theta energy: -6.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1030.895942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.895942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.895942 (E_RNA)
where:
Base-Base interactions energy: -721.704
where: short stacking energy: -305.675
Base-Backbone interact. energy: -0.842
local terms energy: -308.349903
where:
bonds (distance) C4'-P energy: -60.191
bonds (distance) P-C4' energy: -57.176
flat angles C4'-P-C4' energy: -60.095
flat angles P-C4'-P energy: -44.208
tors. eta vs tors. theta energy: -86.680
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: 2, replica: 7
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -994.534782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.534782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.534782 (E_RNA)
where:
Base-Base interactions energy: -693.570
where: short stacking energy: -283.754
Base-Backbone interact. energy: -1.315
local terms energy: -299.648916
where:
bonds (distance) C4'-P energy: -51.986
bonds (distance) P-C4' energy: -53.925
flat angles C4'-P-C4' energy: -65.252
flat angles P-C4'-P energy: -37.701
tors. eta vs tors. theta energy: -90.785
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: 8
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -911.199151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.199151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.199151 (E_RNA)
where:
Base-Base interactions energy: -620.878
where: short stacking energy: -273.577
Base-Backbone interact. energy: -0.372
local terms energy: -289.949266
where:
bonds (distance) C4'-P energy: -50.742
bonds (distance) P-C4' energy: -49.766
flat angles C4'-P-C4' energy: -66.090
flat angles P-C4'-P energy: -41.373
tors. eta vs tors. theta energy: -81.978
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: 457
Temperature: 1.050000
Total energy: -916.146905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.146905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.146905 (E_RNA)
where:
Base-Base interactions energy: -629.512
where: short stacking energy: -268.295
Base-Backbone interact. energy: -1.496
local terms energy: -285.138892
where:
bonds (distance) C4'-P energy: -49.652
bonds (distance) P-C4' energy: -59.035
flat angles C4'-P-C4' energy: -55.408
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -83.285
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: 5
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -808.347885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.347885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.347885 (E_RNA)
where:
Base-Base interactions energy: -543.692
where: short stacking energy: -244.708
Base-Backbone interact. energy: -1.065
local terms energy: -263.590119
where:
bonds (distance) C4'-P energy: -47.674
bonds (distance) P-C4' energy: -54.786
flat angles C4'-P-C4' energy: -56.282
flat angles P-C4'-P energy: -35.561
tors. eta vs tors. theta energy: -69.288
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: 6, replica: 2
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -776.849335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.849335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.849335 (E_RNA)
where:
Base-Base interactions energy: -529.069
where: short stacking energy: -235.732
Base-Backbone interact. energy: -2.408
local terms energy: -245.372912
where:
bonds (distance) C4'-P energy: -37.917
bonds (distance) P-C4' energy: -54.797
flat angles C4'-P-C4' energy: -52.352
flat angles P-C4'-P energy: -32.083
tors. eta vs tors. theta energy: -68.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -660.406617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -660.406617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -660.406617 (E_RNA)
where:
Base-Base interactions energy: -423.168
where: short stacking energy: -197.862
Base-Backbone interact. energy: 0.420
local terms energy: -237.658590
where:
bonds (distance) C4'-P energy: -49.179
bonds (distance) P-C4' energy: -55.569
flat angles C4'-P-C4' energy: -54.924
flat angles P-C4'-P energy: -35.853
tors. eta vs tors. theta energy: -42.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -586.519725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -586.519725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -586.519725 (E_RNA)
where:
Base-Base interactions energy: -359.154
where: short stacking energy: -165.270
Base-Backbone interact. energy: 2.158
local terms energy: -229.523533
where:
bonds (distance) C4'-P energy: -49.521
bonds (distance) P-C4' energy: -52.028
flat angles C4'-P-C4' energy: -53.280
flat angles P-C4'-P energy: -36.350
tors. eta vs tors. theta energy: -38.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -526.281601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -526.281601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -526.281601 (E_RNA)
where:
Base-Base interactions energy: -341.620
where: short stacking energy: -170.953
Base-Backbone interact. energy: 2.565
local terms energy: -187.226584
where:
bonds (distance) C4'-P energy: -40.241
bonds (distance) P-C4' energy: -42.574
flat angles C4'-P-C4' energy: -47.114
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -30.336
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: 3
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -353.261186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -353.261186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -353.261186 (E_RNA)
where:
Base-Base interactions energy: -197.110
where: short stacking energy: -124.057
Base-Backbone interact. energy: 6.939
local terms energy: -163.089975
where:
bonds (distance) C4'-P energy: -49.502
bonds (distance) P-C4' energy: -47.989
flat angles C4'-P-C4' energy: -37.789
flat angles P-C4'-P energy: -18.618
tors. eta vs tors. theta energy: -9.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1012.283721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.283721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.283721 (E_RNA)
where:
Base-Base interactions energy: -703.173
where: short stacking energy: -306.562
Base-Backbone interact. energy: -0.937
local terms energy: -308.173602
where:
bonds (distance) C4'-P energy: -54.437
bonds (distance) P-C4' energy: -50.754
flat angles C4'-P-C4' energy: -62.769
flat angles P-C4'-P energy: -51.022
tors. eta vs tors. theta energy: -89.192
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: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1007.047361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.047361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.047361 (E_RNA)
where:
Base-Base interactions energy: -691.599
where: short stacking energy: -288.892
Base-Backbone interact. energy: -2.338
local terms energy: -313.111271
where:
bonds (distance) C4'-P energy: -56.015
bonds (distance) P-C4' energy: -56.664
flat angles C4'-P-C4' energy: -66.062
flat angles P-C4'-P energy: -42.286
tors. eta vs tors. theta energy: -92.084
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: 1
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -927.448947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -927.448947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -927.448947 (E_RNA)
where:
Base-Base interactions energy: -633.142
where: short stacking energy: -270.825
Base-Backbone interact. energy: -0.449
local terms energy: -293.858574
where:
bonds (distance) C4'-P energy: -54.034
bonds (distance) P-C4' energy: -55.664
flat angles C4'-P-C4' energy: -58.413
flat angles P-C4'-P energy: -44.736
tors. eta vs tors. theta energy: -81.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -905.718961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -905.718961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -905.718961 (E_RNA)
where:
Base-Base interactions energy: -613.073
where: short stacking energy: -278.563
Base-Backbone interact. energy: 0.637
local terms energy: -293.283557
where:
bonds (distance) C4'-P energy: -50.246
bonds (distance) P-C4' energy: -52.898
flat angles C4'-P-C4' energy: -63.778
flat angles P-C4'-P energy: -45.216
tors. eta vs tors. theta energy: -81.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -797.577285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.577285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.577285 (E_RNA)
where:
Base-Base interactions energy: -536.840
where: short stacking energy: -233.921
Base-Backbone interact. energy: -2.281
local terms energy: -258.456083
where:
bonds (distance) C4'-P energy: -58.579
bonds (distance) P-C4' energy: -46.897
flat angles C4'-P-C4' energy: -58.781
flat angles P-C4'-P energy: -22.920
tors. eta vs tors. theta energy: -71.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -771.503856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.503856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.503856 (E_RNA)
where:
Base-Base interactions energy: -533.047
where: short stacking energy: -225.558
Base-Backbone interact. energy: -0.745
local terms energy: -237.711356
where:
bonds (distance) C4'-P energy: -47.248
bonds (distance) P-C4' energy: -43.199
flat angles C4'-P-C4' energy: -55.045
flat angles P-C4'-P energy: -34.327
tors. eta vs tors. theta energy: -57.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -677.735110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -677.735110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -677.735110 (E_RNA)
where:
Base-Base interactions energy: -437.923
where: short stacking energy: -201.007
Base-Backbone interact. energy: -0.601
local terms energy: -239.211078
where:
bonds (distance) C4'-P energy: -48.257
bonds (distance) P-C4' energy: -52.419
flat angles C4'-P-C4' energy: -51.213
flat angles P-C4'-P energy: -38.834
tors. eta vs tors. theta energy: -48.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -607.292572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.292572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.292572 (E_RNA)
where:
Base-Base interactions energy: -409.194
where: short stacking energy: -166.174
Base-Backbone interact. energy: -1.146
local terms energy: -196.951873
where:
bonds (distance) C4'-P energy: -34.783
bonds (distance) P-C4' energy: -50.554
flat angles C4'-P-C4' energy: -45.562
flat angles P-C4'-P energy: -31.994
tors. eta vs tors. theta energy: -34.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -521.277332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -521.277332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -521.277332 (E_RNA)
where:
Base-Base interactions energy: -335.611
where: short stacking energy: -163.870
Base-Backbone interact. energy: 0.564
local terms energy: -186.230154
where:
bonds (distance) C4'-P energy: -58.539
bonds (distance) P-C4' energy: -45.483
flat angles C4'-P-C4' energy: -46.172
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -24.820
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: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -363.202608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.202608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.202608 (E_RNA)
where:
Base-Base interactions energy: -193.759
where: short stacking energy: -98.914
Base-Backbone interact. energy: 2.669
local terms energy: -172.112308
where:
bonds (distance) C4'-P energy: -36.207
bonds (distance) P-C4' energy: -54.069
flat angles C4'-P-C4' energy: -43.657
flat angles P-C4'-P energy: -30.591
tors. eta vs tors. theta energy: -7.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -1025.780228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.780228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.780228 (E_RNA)
where:
Base-Base interactions energy: -712.782
where: short stacking energy: -323.464
Base-Backbone interact. energy: -1.626
local terms energy: -311.372440
where:
bonds (distance) C4'-P energy: -63.404
bonds (distance) P-C4' energy: -49.262
flat angles C4'-P-C4' energy: -54.725
flat angles P-C4'-P energy: -42.651
tors. eta vs tors. theta energy: -101.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1014.802372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.802372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.802372 (E_RNA)
where:
Base-Base interactions energy: -719.595
where: short stacking energy: -294.215
Base-Backbone interact. energy: -0.863
local terms energy: -294.344010
where:
bonds (distance) C4'-P energy: -59.733
bonds (distance) P-C4' energy: -48.357
flat angles C4'-P-C4' energy: -55.564
flat angles P-C4'-P energy: -48.620
tors. eta vs tors. theta energy: -82.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -936.864547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.864547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.864547 (E_RNA)
where:
Base-Base interactions energy: -633.465
where: short stacking energy: -267.612
Base-Backbone interact. energy: -1.432
local terms energy: -301.968006
where:
bonds (distance) C4'-P energy: -49.831
bonds (distance) P-C4' energy: -63.727
flat angles C4'-P-C4' energy: -59.455
flat angles P-C4'-P energy: -45.227
tors. eta vs tors. theta energy: -83.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -856.681685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.681685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.681685 (E_RNA)
where:
Base-Base interactions energy: -587.567
where: short stacking energy: -261.338
Base-Backbone interact. energy: -0.721
local terms energy: -268.393124
where:
bonds (distance) C4'-P energy: -48.996
bonds (distance) P-C4' energy: -59.161
flat angles C4'-P-C4' energy: -53.972
flat angles P-C4'-P energy: -29.150
tors. eta vs tors. theta energy: -77.114
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: 2
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -792.502718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.502718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.502718 (E_RNA)
where:
Base-Base interactions energy: -550.928
where: short stacking energy: -239.803
Base-Backbone interact. energy: -1.874
local terms energy: -239.700786
where:
bonds (distance) C4'-P energy: -51.238
bonds (distance) P-C4' energy: -43.727
flat angles C4'-P-C4' energy: -53.573
flat angles P-C4'-P energy: -28.420
tors. eta vs tors. theta energy: -62.742
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: 459
Temperature: 1.150000
Total energy: -801.347475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.347475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.347475 (E_RNA)
where:
Base-Base interactions energy: -552.642
where: short stacking energy: -244.303
Base-Backbone interact. energy: -0.820
local terms energy: -247.885304
where:
bonds (distance) C4'-P energy: -44.863
bonds (distance) P-C4' energy: -50.327
flat angles C4'-P-C4' energy: -51.867
flat angles P-C4'-P energy: -37.831
tors. eta vs tors. theta energy: -62.998
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: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -647.158466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -647.158466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -647.158466 (E_RNA)
where:
Base-Base interactions energy: -424.943
where: short stacking energy: -184.366
Base-Backbone interact. energy: 1.595
local terms energy: -223.810360
where:
bonds (distance) C4'-P energy: -47.658
bonds (distance) P-C4' energy: -48.374
flat angles C4'-P-C4' energy: -48.608
flat angles P-C4'-P energy: -36.285
tors. eta vs tors. theta energy: -42.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -568.182130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -568.182130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -568.182130 (E_RNA)
where:
Base-Base interactions energy: -369.142
where: short stacking energy: -164.017
Base-Backbone interact. energy: 1.331
local terms energy: -200.370794
where:
bonds (distance) C4'-P energy: -42.992
bonds (distance) P-C4' energy: -51.158
flat angles C4'-P-C4' energy: -47.593
flat angles P-C4'-P energy: -23.953
tors. eta vs tors. theta energy: -34.674
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: 9
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -507.267183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -507.267183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -507.267183 (E_RNA)
where:
Base-Base interactions energy: -319.785
where: short stacking energy: -143.608
Base-Backbone interact. energy: -0.057
local terms energy: -187.424700
where:
bonds (distance) C4'-P energy: -42.270
bonds (distance) P-C4' energy: -53.030
flat angles C4'-P-C4' energy: -42.302
flat angles P-C4'-P energy: -29.199
tors. eta vs tors. theta energy: -20.624
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: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -334.937370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.937370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.937370 (E_RNA)
where:
Base-Base interactions energy: -169.087
where: short stacking energy: -113.932
Base-Backbone interact. energy: 1.053
local terms energy: -166.902500
where:
bonds (distance) C4'-P energy: -44.002
bonds (distance) P-C4' energy: -47.720
flat angles C4'-P-C4' energy: -40.708
flat angles P-C4'-P energy: -28.788
tors. eta vs tors. theta energy: -5.685
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: 4
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1034.056640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.056640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.056640 (E_RNA)
where:
Base-Base interactions energy: -715.412
where: short stacking energy: -304.528
Base-Backbone interact. energy: 0.866
local terms energy: -319.511082
where:
bonds (distance) C4'-P energy: -49.549
bonds (distance) P-C4' energy: -66.179
flat angles C4'-P-C4' energy: -68.926
flat angles P-C4'-P energy: -50.851
tors. eta vs tors. theta energy: -84.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1004.810120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.810120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.810120 (E_RNA)
where:
Base-Base interactions energy: -689.966
where: short stacking energy: -289.388
Base-Backbone interact. energy: -1.498
local terms energy: -313.345956
where:
bonds (distance) C4'-P energy: -50.240
bonds (distance) P-C4' energy: -57.658
flat angles C4'-P-C4' energy: -65.983
flat angles P-C4'-P energy: -47.949
tors. eta vs tors. theta energy: -91.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -946.824372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.824372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.824372 (E_RNA)
where:
Base-Base interactions energy: -658.343
where: short stacking energy: -287.666
Base-Backbone interact. energy: -1.040
local terms energy: -287.441654
where:
bonds (distance) C4'-P energy: -58.045
bonds (distance) P-C4' energy: -60.887
flat angles C4'-P-C4' energy: -57.165
flat angles P-C4'-P energy: -32.963
tors. eta vs tors. theta energy: -78.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -852.834579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.834579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.834579 (E_RNA)
where:
Base-Base interactions energy: -575.238
where: short stacking energy: -256.345
Base-Backbone interact. energy: 0.704
local terms energy: -278.300798
where:
bonds (distance) C4'-P energy: -45.976
bonds (distance) P-C4' energy: -61.445
flat angles C4'-P-C4' energy: -51.892
flat angles P-C4'-P energy: -42.869
tors. eta vs tors. theta energy: -76.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -798.941205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.941205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.941205 (E_RNA)
where:
Base-Base interactions energy: -539.811
where: short stacking energy: -234.606
Base-Backbone interact. energy: -1.312
local terms energy: -257.818227
where:
bonds (distance) C4'-P energy: -52.380
bonds (distance) P-C4' energy: -48.618
flat angles C4'-P-C4' energy: -57.682
flat angles P-C4'-P energy: -30.057
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: 6, replica: 2
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -798.199942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.199942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.199942 (E_RNA)
where:
Base-Base interactions energy: -521.722
where: short stacking energy: -238.222
Base-Backbone interact. energy: -0.273
local terms energy: -276.205388
where:
bonds (distance) C4'-P energy: -48.994
bonds (distance) P-C4' energy: -46.587
flat angles C4'-P-C4' energy: -64.139
flat angles P-C4'-P energy: -33.806
tors. eta vs tors. theta energy: -82.679
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: 6
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -575.435525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -575.435525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -575.435525 (E_RNA)
where:
Base-Base interactions energy: -354.121
where: short stacking energy: -159.362
Base-Backbone interact. energy: -1.308
local terms energy: -220.005979
where:
bonds (distance) C4'-P energy: -37.915
bonds (distance) P-C4' energy: -58.407
flat angles C4'-P-C4' energy: -46.762
flat angles P-C4'-P energy: -39.161
tors. eta vs tors. theta energy: -37.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -590.815178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -590.815178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -590.815178 (E_RNA)
where:
Base-Base interactions energy: -377.415
where: short stacking energy: -167.482
Base-Backbone interact. energy: -0.209
local terms energy: -213.191386
where:
bonds (distance) C4'-P energy: -48.194
bonds (distance) P-C4' energy: -53.034
flat angles C4'-P-C4' energy: -49.310
flat angles P-C4'-P energy: -26.477
tors. eta vs tors. theta energy: -36.177
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: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -517.372924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -517.372924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -517.372924 (E_RNA)
where:
Base-Base interactions energy: -334.616
where: short stacking energy: -156.391
Base-Backbone interact. energy: -0.546
local terms energy: -182.211604
where:
bonds (distance) C4'-P energy: -30.859
bonds (distance) P-C4' energy: -50.865
flat angles C4'-P-C4' energy: -44.544
flat angles P-C4'-P energy: -27.515
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: 10, replica: 3
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -302.098258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.098258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.098258 (E_RNA)
where:
Base-Base interactions energy: -155.557
where: short stacking energy: -91.517
Base-Backbone interact. energy: -0.206
local terms energy: -146.335373
where:
bonds (distance) C4'-P energy: -59.194
bonds (distance) P-C4' energy: -47.040
flat angles C4'-P-C4' energy: -33.640
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: 5.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1049.155248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.155248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.155248 (E_RNA)
where:
Base-Base interactions energy: -725.663
where: short stacking energy: -307.589
Base-Backbone interact. energy: -1.984
local terms energy: -321.508010
where:
bonds (distance) C4'-P energy: -59.724
bonds (distance) P-C4' energy: -61.103
flat angles C4'-P-C4' energy: -63.159
flat angles P-C4'-P energy: -54.951
tors. eta vs tors. theta energy: -82.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -1011.492312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.492312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.492312 (E_RNA)
where:
Base-Base interactions energy: -721.378
where: short stacking energy: -303.973
Base-Backbone interact. energy: -1.589
local terms energy: -288.525682
where:
bonds (distance) C4'-P energy: -52.147
bonds (distance) P-C4' energy: -52.890
flat angles C4'-P-C4' energy: -53.214
flat angles P-C4'-P energy: -43.061
tors. eta vs tors. theta energy: -87.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -923.975585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -923.975585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -923.975585 (E_RNA)
where:
Base-Base interactions energy: -639.276
where: short stacking energy: -285.407
Base-Backbone interact. energy: -0.046
local terms energy: -284.653931
where:
bonds (distance) C4'-P energy: -55.152
bonds (distance) P-C4' energy: -46.931
flat angles C4'-P-C4' energy: -62.737
flat angles P-C4'-P energy: -37.099
tors. eta vs tors. theta energy: -82.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -848.431768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.431768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.431768 (E_RNA)
where:
Base-Base interactions energy: -574.402
where: short stacking energy: -257.160
Base-Backbone interact. energy: -0.688
local terms energy: -273.342439
where:
bonds (distance) C4'-P energy: -54.184
bonds (distance) P-C4' energy: -41.500
flat angles C4'-P-C4' energy: -58.121
flat angles P-C4'-P energy: -46.151
tors. eta vs tors. theta energy: -73.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -837.067409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.067409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.067409 (E_RNA)
where:
Base-Base interactions energy: -576.800
where: short stacking energy: -244.134
Base-Backbone interact. energy: -0.344
local terms energy: -259.923603
where:
bonds (distance) C4'-P energy: -41.291
bonds (distance) P-C4' energy: -50.316
flat angles C4'-P-C4' energy: -57.712
flat angles P-C4'-P energy: -38.282
tors. eta vs tors. theta energy: -72.322
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: 2
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -778.706771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.706771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.706771 (E_RNA)
where:
Base-Base interactions energy: -514.893
where: short stacking energy: -210.288
Base-Backbone interact. energy: -2.069
local terms energy: -261.744453
where:
bonds (distance) C4'-P energy: -52.639
bonds (distance) P-C4' energy: -42.676
flat angles C4'-P-C4' energy: -50.357
flat angles P-C4'-P energy: -43.788
tors. eta vs tors. theta energy: -72.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -573.709651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -573.709651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -573.709651 (E_RNA)
where:
Base-Base interactions energy: -350.003
where: short stacking energy: -175.448
Base-Backbone interact. energy: -1.151
local terms energy: -222.554978
where:
bonds (distance) C4'-P energy: -48.578
bonds (distance) P-C4' energy: -50.193
flat angles C4'-P-C4' energy: -52.516
flat angles P-C4'-P energy: -31.368
tors. eta vs tors. theta energy: -39.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -600.016997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -600.016997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -600.016997 (E_RNA)
where:
Base-Base interactions energy: -391.518
where: short stacking energy: -163.291
Base-Backbone interact. energy: -0.523
local terms energy: -207.976881
where:
bonds (distance) C4'-P energy: -49.949
bonds (distance) P-C4' energy: -48.436
flat angles C4'-P-C4' energy: -33.174
flat angles P-C4'-P energy: -35.301
tors. eta vs tors. theta energy: -41.117
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: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -525.407981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -525.407981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -525.407981 (E_RNA)
where:
Base-Base interactions energy: -342.249
where: short stacking energy: -161.915
Base-Backbone interact. energy: -1.024
local terms energy: -182.135412
where:
bonds (distance) C4'-P energy: -34.268
bonds (distance) P-C4' energy: -47.382
flat angles C4'-P-C4' energy: -47.667
flat angles P-C4'-P energy: -27.609
tors. eta vs tors. theta energy: -25.209
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: 3
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -323.616422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -323.616422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -323.616422 (E_RNA)
where:
Base-Base interactions energy: -176.083
where: short stacking energy: -89.519
Base-Backbone interact. energy: -0.257
local terms energy: -147.276420
where:
bonds (distance) C4'-P energy: -31.868
bonds (distance) P-C4' energy: -58.842
flat angles C4'-P-C4' energy: -43.264
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -1028.177180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.177180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.177180 (E_RNA)
where:
Base-Base interactions energy: -717.207
where: short stacking energy: -295.513
Base-Backbone interact. energy: 1.901
local terms energy: -312.871255
where:
bonds (distance) C4'-P energy: -51.294
bonds (distance) P-C4' energy: -53.901
flat angles C4'-P-C4' energy: -72.647
flat angles P-C4'-P energy: -49.968
tors. eta vs tors. theta energy: -85.060
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: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1019.622408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.622408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.622408 (E_RNA)
where:
Base-Base interactions energy: -710.441
where: short stacking energy: -273.986
Base-Backbone interact. energy: -1.525
local terms energy: -307.656379
where:
bonds (distance) C4'-P energy: -62.698
bonds (distance) P-C4' energy: -53.058
flat angles C4'-P-C4' energy: -59.981
flat angles P-C4'-P energy: -44.503
tors. eta vs tors. theta energy: -87.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -932.306091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.306091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.306091 (E_RNA)
where:
Base-Base interactions energy: -632.385
where: short stacking energy: -273.008
Base-Backbone interact. energy: -0.699
local terms energy: -299.222105
where:
bonds (distance) C4'-P energy: -61.990
bonds (distance) P-C4' energy: -58.395
flat angles C4'-P-C4' energy: -58.064
flat angles P-C4'-P energy: -43.995
tors. eta vs tors. theta energy: -76.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -845.620971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.620971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.620971 (E_RNA)
where:
Base-Base interactions energy: -570.286
where: short stacking energy: -248.946
Base-Backbone interact. energy: -1.879
local terms energy: -273.456500
where:
bonds (distance) C4'-P energy: -50.641
bonds (distance) P-C4' energy: -57.825
flat angles C4'-P-C4' energy: -61.445
flat angles P-C4'-P energy: -38.013
tors. eta vs tors. theta energy: -65.532
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: 2
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -792.465001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.465001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.465001 (E_RNA)
where:
Base-Base interactions energy: -509.449
where: short stacking energy: -245.048
Base-Backbone interact. energy: -0.450
local terms energy: -282.566415
where:
bonds (distance) C4'-P energy: -44.570
bonds (distance) P-C4' energy: -63.814
flat angles C4'-P-C4' energy: -62.093
flat angles P-C4'-P energy: -42.004
tors. eta vs tors. theta energy: -70.085
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: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -796.667372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.667372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.667372 (E_RNA)
where:
Base-Base interactions energy: -548.405
where: short stacking energy: -233.949
Base-Backbone interact. energy: -0.987
local terms energy: -247.274806
where:
bonds (distance) C4'-P energy: -43.888
bonds (distance) P-C4' energy: -52.448
flat angles C4'-P-C4' energy: -59.008
flat angles P-C4'-P energy: -28.371
tors. eta vs tors. theta energy: -63.560
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: 10
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -633.028585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -633.028585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -633.028585 (E_RNA)
where:
Base-Base interactions energy: -395.141
where: short stacking energy: -179.168
Base-Backbone interact. energy: -0.171
local terms energy: -237.716388
where:
bonds (distance) C4'-P energy: -49.302
bonds (distance) P-C4' energy: -60.439
flat angles C4'-P-C4' energy: -50.516
flat angles P-C4'-P energy: -37.277
tors. eta vs tors. theta energy: -40.182
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: 8, replica: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -579.982522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.982522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.982522 (E_RNA)
where:
Base-Base interactions energy: -358.700
where: short stacking energy: -158.733
Base-Backbone interact. energy: -1.318
local terms energy: -219.964220
where:
bonds (distance) C4'-P energy: -46.796
bonds (distance) P-C4' energy: -56.793
flat angles C4'-P-C4' energy: -54.835
flat angles P-C4'-P energy: -17.169
tors. eta vs tors. theta energy: -44.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -510.297633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -510.297633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -510.297633 (E_RNA)
where:
Base-Base interactions energy: -315.827
where: short stacking energy: -148.193
Base-Backbone interact. energy: 2.764
local terms energy: -197.235267
where:
bonds (distance) C4'-P energy: -47.422
bonds (distance) P-C4' energy: -54.404
flat angles C4'-P-C4' energy: -40.050
flat angles P-C4'-P energy: -27.463
tors. eta vs tors. theta energy: -27.896
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: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -368.326024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -368.326024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -368.326024 (E_RNA)
where:
Base-Base interactions energy: -188.649
where: short stacking energy: -97.186
Base-Backbone interact. energy: -0.052
local terms energy: -179.624866
where:
bonds (distance) C4'-P energy: -49.238
bonds (distance) P-C4' energy: -53.889
flat angles C4'-P-C4' energy: -50.028
flat angles P-C4'-P energy: -22.144
tors. eta vs tors. theta energy: -4.325
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: 4
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1027.636065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.636065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.636065 (E_RNA)
where:
Base-Base interactions energy: -717.892
where: short stacking energy: -304.793
Base-Backbone interact. energy: -0.972
local terms energy: -308.772357
where:
bonds (distance) C4'-P energy: -60.443
bonds (distance) P-C4' energy: -53.023
flat angles C4'-P-C4' energy: -60.933
flat angles P-C4'-P energy: -45.819
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: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1017.552359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.552359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.552359 (E_RNA)
where:
Base-Base interactions energy: -712.656
where: short stacking energy: -302.900
Base-Backbone interact. energy: -2.931
local terms energy: -301.965179
where:
bonds (distance) C4'-P energy: -55.633
bonds (distance) P-C4' energy: -46.569
flat angles C4'-P-C4' energy: -68.885
flat angles P-C4'-P energy: -44.449
tors. eta vs tors. theta energy: -86.428
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: 1
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -953.946408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -953.946408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -953.946408 (E_RNA)
where:
Base-Base interactions energy: -658.899
where: short stacking energy: -270.646
Base-Backbone interact. energy: 0.504
local terms energy: -295.550945
where:
bonds (distance) C4'-P energy: -62.810
bonds (distance) P-C4' energy: -52.258
flat angles C4'-P-C4' energy: -63.955
flat angles P-C4'-P energy: -32.717
tors. eta vs tors. theta energy: -83.810
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: 463
Temperature: 1.050000
Total energy: -877.503675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.503675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.503675 (E_RNA)
where:
Base-Base interactions energy: -609.878
where: short stacking energy: -263.440
Base-Backbone interact. energy: -1.070
local terms energy: -266.556476
where:
bonds (distance) C4'-P energy: -50.231
bonds (distance) P-C4' energy: -44.047
flat angles C4'-P-C4' energy: -59.191
flat angles P-C4'-P energy: -35.252
tors. eta vs tors. theta energy: -77.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -815.546581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.546581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.546581 (E_RNA)
where:
Base-Base interactions energy: -557.982
where: short stacking energy: -249.247
Base-Backbone interact. energy: -0.312
local terms energy: -257.253075
where:
bonds (distance) C4'-P energy: -41.723
bonds (distance) P-C4' energy: -48.035
flat angles C4'-P-C4' energy: -60.863
flat angles P-C4'-P energy: -34.538
tors. eta vs tors. theta energy: -72.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -808.665201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.665201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.665201 (E_RNA)
where:
Base-Base interactions energy: -547.829
where: short stacking energy: -233.342
Base-Backbone interact. energy: -2.133
local terms energy: -258.702847
where:
bonds (distance) C4'-P energy: -40.247
bonds (distance) P-C4' energy: -58.479
flat angles C4'-P-C4' energy: -59.227
flat angles P-C4'-P energy: -28.055
tors. eta vs tors. theta energy: -72.695
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: 463
Temperature: 1.200000
Total energy: -659.781278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -659.781278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -659.781278 (E_RNA)
where:
Base-Base interactions energy: -426.779
where: short stacking energy: -193.761
Base-Backbone interact. energy: -0.822
local terms energy: -232.179531
where:
bonds (distance) C4'-P energy: -48.077
bonds (distance) P-C4' energy: -58.865
flat angles C4'-P-C4' energy: -56.360
flat angles P-C4'-P energy: -24.303
tors. eta vs tors. theta energy: -44.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -579.051604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -579.051604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -579.051604 (E_RNA)
where:
Base-Base interactions energy: -366.272
where: short stacking energy: -152.596
Base-Backbone interact. energy: -0.702
local terms energy: -212.077324
where:
bonds (distance) C4'-P energy: -53.064
bonds (distance) P-C4' energy: -45.157
flat angles C4'-P-C4' energy: -45.968
flat angles P-C4'-P energy: -38.261
tors. eta vs tors. theta energy: -29.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -537.297070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -537.297070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -537.297070 (E_RNA)
where:
Base-Base interactions energy: -326.899
where: short stacking energy: -160.988
Base-Backbone interact. energy: 0.156
local terms energy: -210.553406
where:
bonds (distance) C4'-P energy: -50.553
bonds (distance) P-C4' energy: -52.270
flat angles C4'-P-C4' energy: -45.452
flat angles P-C4'-P energy: -27.889
tors. eta vs tors. theta energy: -34.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -359.456944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.456944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.456944 (E_RNA)
where:
Base-Base interactions energy: -203.747
where: short stacking energy: -108.956
Base-Backbone interact. energy: 1.287
local terms energy: -156.997387
where:
bonds (distance) C4'-P energy: -36.650
bonds (distance) P-C4' energy: -48.346
flat angles C4'-P-C4' energy: -39.194
flat angles P-C4'-P energy: -28.711
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1024.859946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.859946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.859946 (E_RNA)
where:
Base-Base interactions energy: -704.862
where: short stacking energy: -297.909
Base-Backbone interact. energy: -2.604
local terms energy: -317.394501
where:
bonds (distance) C4'-P energy: -57.799
bonds (distance) P-C4' energy: -61.961
flat angles C4'-P-C4' energy: -63.426
flat angles P-C4'-P energy: -42.491
tors. eta vs tors. theta energy: -91.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1006.984453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.984453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.984453 (E_RNA)
where:
Base-Base interactions energy: -713.174
where: short stacking energy: -303.073
Base-Backbone interact. energy: -1.389
local terms energy: -292.421355
where:
bonds (distance) C4'-P energy: -55.324
bonds (distance) P-C4' energy: -56.945
flat angles C4'-P-C4' energy: -64.241
flat angles P-C4'-P energy: -28.155
tors. eta vs tors. theta energy: -87.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -942.006681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -942.006681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -942.006681 (E_RNA)
where:
Base-Base interactions energy: -652.937
where: short stacking energy: -286.770
Base-Backbone interact. energy: -1.088
local terms energy: -287.981409
where:
bonds (distance) C4'-P energy: -46.674
bonds (distance) P-C4' energy: -54.079
flat angles C4'-P-C4' energy: -54.534
flat angles P-C4'-P energy: -45.854
tors. eta vs tors. theta energy: -86.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -904.331476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.331476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.331476 (E_RNA)
where:
Base-Base interactions energy: -610.221
where: short stacking energy: -275.094
Base-Backbone interact. energy: 0.044
local terms energy: -294.154464
where:
bonds (distance) C4'-P energy: -53.837
bonds (distance) P-C4' energy: -60.565
flat angles C4'-P-C4' energy: -55.177
flat angles P-C4'-P energy: -38.923
tors. eta vs tors. theta energy: -85.652
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: 464
Temperature: 1.100000
Total energy: -837.422710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.422710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.422710 (E_RNA)
where:
Base-Base interactions energy: -568.833
where: short stacking energy: -259.918
Base-Backbone interact. energy: -0.994
local terms energy: -267.595685
where:
bonds (distance) C4'-P energy: -53.373
bonds (distance) P-C4' energy: -53.505
flat angles C4'-P-C4' energy: -56.391
flat angles P-C4'-P energy: -37.257
tors. eta vs tors. theta energy: -67.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -815.485712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.485712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.485712 (E_RNA)
where:
Base-Base interactions energy: -559.544
where: short stacking energy: -255.034
Base-Backbone interact. energy: -1.662
local terms energy: -254.279582
where:
bonds (distance) C4'-P energy: -45.913
bonds (distance) P-C4' energy: -42.435
flat angles C4'-P-C4' energy: -59.374
flat angles P-C4'-P energy: -40.533
tors. eta vs tors. theta energy: -66.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -639.134674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -639.134674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -639.134674 (E_RNA)
where:
Base-Base interactions energy: -409.649
where: short stacking energy: -186.793
Base-Backbone interact. energy: -0.959
local terms energy: -228.526479
where:
bonds (distance) C4'-P energy: -49.017
bonds (distance) P-C4' energy: -56.559
flat angles C4'-P-C4' energy: -40.493
flat angles P-C4'-P energy: -42.727
tors. eta vs tors. theta energy: -39.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -609.035815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -609.035815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -609.035815 (E_RNA)
where:
Base-Base interactions energy: -393.420
where: short stacking energy: -175.618
Base-Backbone interact. energy: 0.113
local terms energy: -215.728588
where:
bonds (distance) C4'-P energy: -42.435
bonds (distance) P-C4' energy: -57.007
flat angles C4'-P-C4' energy: -49.203
flat angles P-C4'-P energy: -27.445
tors. eta vs tors. theta energy: -39.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -479.261389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -479.261389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -479.261389 (E_RNA)
where:
Base-Base interactions energy: -298.867
where: short stacking energy: -132.710
Base-Backbone interact. energy: -1.072
local terms energy: -179.322287
where:
bonds (distance) C4'-P energy: -33.380
bonds (distance) P-C4' energy: -47.318
flat angles C4'-P-C4' energy: -48.049
flat angles P-C4'-P energy: -27.711
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -351.291864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.291864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.291864 (E_RNA)
where:
Base-Base interactions energy: -195.669
where: short stacking energy: -100.828
Base-Backbone interact. energy: -0.861
local terms energy: -154.761206
where:
bonds (distance) C4'-P energy: -42.878
bonds (distance) P-C4' energy: -45.085
flat angles C4'-P-C4' energy: -41.246
flat angles P-C4'-P energy: -25.468
tors. eta vs tors. theta energy: -0.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1022.901597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.901597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.901597 (E_RNA)
where:
Base-Base interactions energy: -711.718
where: short stacking energy: -307.777
Base-Backbone interact. energy: 2.203
local terms energy: -313.386337
where:
bonds (distance) C4'-P energy: -58.531
bonds (distance) P-C4' energy: -57.118
flat angles C4'-P-C4' energy: -64.174
flat angles P-C4'-P energy: -42.402
tors. eta vs tors. theta energy: -91.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1003.838045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.838045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.838045 (E_RNA)
where:
Base-Base interactions energy: -711.652
where: short stacking energy: -286.400
Base-Backbone interact. energy: -1.015
local terms energy: -291.170937
where:
bonds (distance) C4'-P energy: -52.878
bonds (distance) P-C4' energy: -54.718
flat angles C4'-P-C4' energy: -57.328
flat angles P-C4'-P energy: -41.669
tors. eta vs tors. theta energy: -84.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -970.290010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.290010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.290010 (E_RNA)
where:
Base-Base interactions energy: -655.507
where: short stacking energy: -285.950
Base-Backbone interact. energy: -0.762
local terms energy: -314.021603
where:
bonds (distance) C4'-P energy: -57.466
bonds (distance) P-C4' energy: -54.847
flat angles C4'-P-C4' energy: -65.936
flat angles P-C4'-P energy: -44.645
tors. eta vs tors. theta energy: -91.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -912.655557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.655557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.655557 (E_RNA)
where:
Base-Base interactions energy: -620.399
where: short stacking energy: -283.472
Base-Backbone interact. energy: -1.526
local terms energy: -290.730907
where:
bonds (distance) C4'-P energy: -46.821
bonds (distance) P-C4' energy: -52.856
flat angles C4'-P-C4' energy: -66.514
flat angles P-C4'-P energy: -38.910
tors. eta vs tors. theta energy: -85.630
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: 5
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -862.112528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.112528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.112528 (E_RNA)
where:
Base-Base interactions energy: -583.979
where: short stacking energy: -258.012
Base-Backbone interact. energy: 0.156
local terms energy: -278.289056
where:
bonds (distance) C4'-P energy: -54.745
bonds (distance) P-C4' energy: -38.474
flat angles C4'-P-C4' energy: -64.921
flat angles P-C4'-P energy: -37.538
tors. eta vs tors. theta energy: -82.611
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: 2
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -806.235008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -806.235008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -806.235008 (E_RNA)
where:
Base-Base interactions energy: -531.819
where: short stacking energy: -252.520
Base-Backbone interact. energy: -0.985
local terms energy: -273.430947
where:
bonds (distance) C4'-P energy: -57.447
bonds (distance) P-C4' energy: -54.758
flat angles C4'-P-C4' energy: -51.623
flat angles P-C4'-P energy: -34.549
tors. eta vs tors. theta energy: -75.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -681.187868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -681.187868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -681.187868 (E_RNA)
where:
Base-Base interactions energy: -446.563
where: short stacking energy: -200.976
Base-Backbone interact. energy: -0.510
local terms energy: -234.114503
where:
bonds (distance) C4'-P energy: -48.742
bonds (distance) P-C4' energy: -50.915
flat angles C4'-P-C4' energy: -45.847
flat angles P-C4'-P energy: -41.443
tors. eta vs tors. theta energy: -47.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -581.592975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -581.592975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -581.592975 (E_RNA)
where:
Base-Base interactions energy: -396.326
where: short stacking energy: -166.717
Base-Backbone interact. energy: -0.191
local terms energy: -185.076019
where:
bonds (distance) C4'-P energy: -49.760
bonds (distance) P-C4' energy: -43.649
flat angles C4'-P-C4' energy: -44.353
flat angles P-C4'-P energy: -18.485
tors. eta vs tors. theta energy: -28.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -475.422302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -475.422302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -475.422302 (E_RNA)
where:
Base-Base interactions energy: -282.151
where: short stacking energy: -130.089
Base-Backbone interact. energy: -1.542
local terms energy: -191.728928
where:
bonds (distance) C4'-P energy: -51.185
bonds (distance) P-C4' energy: -40.973
flat angles C4'-P-C4' energy: -33.136
flat angles P-C4'-P energy: -35.428
tors. eta vs tors. theta energy: -31.007
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: 465
Temperature: 1.350000
Total energy: -345.317263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.317263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.317263 (E_RNA)
where:
Base-Base interactions energy: -172.587
where: short stacking energy: -99.353
Base-Backbone interact. energy: -1.711
local terms energy: -171.018598
where:
bonds (distance) C4'-P energy: -45.832
bonds (distance) P-C4' energy: -46.690
flat angles C4'-P-C4' energy: -37.316
flat angles P-C4'-P energy: -36.440
tors. eta vs tors. theta energy: -4.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1019.228723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.228723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.228723 (E_RNA)
where:
Base-Base interactions energy: -714.672
where: short stacking energy: -300.931
Base-Backbone interact. energy: -1.147
local terms energy: -303.409414
where:
bonds (distance) C4'-P energy: -49.233
bonds (distance) P-C4' energy: -55.511
flat angles C4'-P-C4' energy: -62.795
flat angles P-C4'-P energy: -47.539
tors. eta vs tors. theta energy: -88.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1011.740810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.740810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.740810 (E_RNA)
where:
Base-Base interactions energy: -703.827
where: short stacking energy: -293.724
Base-Backbone interact. energy: -1.138
local terms energy: -306.775867
where:
bonds (distance) C4'-P energy: -50.099
bonds (distance) P-C4' energy: -61.667
flat angles C4'-P-C4' energy: -59.336
flat angles P-C4'-P energy: -43.483
tors. eta vs tors. theta energy: -92.192
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: 1
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -939.908688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -939.908688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -939.908688 (E_RNA)
where:
Base-Base interactions energy: -644.792
where: short stacking energy: -274.697
Base-Backbone interact. energy: -0.507
local terms energy: -294.609844
where:
bonds (distance) C4'-P energy: -53.359
bonds (distance) P-C4' energy: -52.736
flat angles C4'-P-C4' energy: -69.549
flat angles P-C4'-P energy: -37.486
tors. eta vs tors. theta energy: -81.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -902.242748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -902.242748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -902.242748 (E_RNA)
where:
Base-Base interactions energy: -594.984
where: short stacking energy: -270.123
Base-Backbone interact. energy: -2.434
local terms energy: -304.824986
where:
bonds (distance) C4'-P energy: -58.375
bonds (distance) P-C4' energy: -59.165
flat angles C4'-P-C4' energy: -66.473
flat angles P-C4'-P energy: -41.398
tors. eta vs tors. theta energy: -79.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -854.956281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.956281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.956281 (E_RNA)
where:
Base-Base interactions energy: -581.201
where: short stacking energy: -251.608
Base-Backbone interact. energy: -0.714
local terms energy: -273.041291
where:
bonds (distance) C4'-P energy: -55.401
bonds (distance) P-C4' energy: -49.319
flat angles C4'-P-C4' energy: -56.611
flat angles P-C4'-P energy: -32.305
tors. eta vs tors. theta energy: -79.406
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: 466
Temperature: 1.150000
Total energy: -800.993909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.993909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.993909 (E_RNA)
where:
Base-Base interactions energy: -543.589
where: short stacking energy: -230.273
Base-Backbone interact. energy: -0.409
local terms energy: -256.996221
where:
bonds (distance) C4'-P energy: -53.933
bonds (distance) P-C4' energy: -43.422
flat angles C4'-P-C4' energy: -47.695
flat angles P-C4'-P energy: -42.095
tors. eta vs tors. theta energy: -69.851
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: 7, replica: 6
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -679.701654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.701654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.701654 (E_RNA)
where:
Base-Base interactions energy: -439.470
where: short stacking energy: -196.796
Base-Backbone interact. energy: -0.673
local terms energy: -239.559345
where:
bonds (distance) C4'-P energy: -47.641
bonds (distance) P-C4' energy: -48.213
flat angles C4'-P-C4' energy: -50.639
flat angles P-C4'-P energy: -35.259
tors. eta vs tors. theta energy: -57.807
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: 10
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -632.099548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -632.099548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -632.099548 (E_RNA)
where:
Base-Base interactions energy: -442.530
where: short stacking energy: -193.648
Base-Backbone interact. energy: -1.498
local terms energy: -188.071260
where:
bonds (distance) C4'-P energy: -42.368
bonds (distance) P-C4' energy: -35.414
flat angles C4'-P-C4' energy: -51.099
flat angles P-C4'-P energy: -22.988
tors. eta vs tors. theta energy: -36.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -461.677599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -461.677599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -461.677599 (E_RNA)
where:
Base-Base interactions energy: -283.490
where: short stacking energy: -154.743
Base-Backbone interact. energy: -0.536
local terms energy: -177.652126
where:
bonds (distance) C4'-P energy: -35.623
bonds (distance) P-C4' energy: -41.582
flat angles C4'-P-C4' energy: -41.887
flat angles P-C4'-P energy: -29.455
tors. eta vs tors. theta energy: -29.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -334.216008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -334.216008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -334.216008 (E_RNA)
where:
Base-Base interactions energy: -172.209
where: short stacking energy: -93.852
Base-Backbone interact. energy: -0.707
local terms energy: -161.299889
where:
bonds (distance) C4'-P energy: -41.114
bonds (distance) P-C4' energy: -47.003
flat angles C4'-P-C4' energy: -46.008
flat angles P-C4'-P energy: -30.499
tors. eta vs tors. theta energy: 3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1025.007165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.007165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.007165 (E_RNA)
where:
Base-Base interactions energy: -720.664
where: short stacking energy: -308.267
Base-Backbone interact. energy: -1.753
local terms energy: -302.589895
where:
bonds (distance) C4'-P energy: -48.172
bonds (distance) P-C4' energy: -59.315
flat angles C4'-P-C4' energy: -60.644
flat angles P-C4'-P energy: -46.460
tors. eta vs tors. theta energy: -87.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -951.773830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.773830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.773830 (E_RNA)
where:
Base-Base interactions energy: -660.925
where: short stacking energy: -293.350
Base-Backbone interact. energy: -0.565
local terms energy: -290.284002
where:
bonds (distance) C4'-P energy: -52.330
bonds (distance) P-C4' energy: -53.729
flat angles C4'-P-C4' energy: -59.626
flat angles P-C4'-P energy: -40.289
tors. eta vs tors. theta energy: -84.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -969.855559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -969.855559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -969.855559 (E_RNA)
where:
Base-Base interactions energy: -691.983
where: short stacking energy: -281.872
Base-Backbone interact. energy: -0.581
local terms energy: -277.291945
where:
bonds (distance) C4'-P energy: -43.534
bonds (distance) P-C4' energy: -51.143
flat angles C4'-P-C4' energy: -59.112
flat angles P-C4'-P energy: -35.982
tors. eta vs tors. theta energy: -87.520
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: 8
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -916.233786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -916.233786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -916.233786 (E_RNA)
where:
Base-Base interactions energy: -634.010
where: short stacking energy: -273.482
Base-Backbone interact. energy: -1.451
local terms energy: -280.772640
where:
bonds (distance) C4'-P energy: -52.932
bonds (distance) P-C4' energy: -53.322
flat angles C4'-P-C4' energy: -65.069
flat angles P-C4'-P energy: -33.373
tors. eta vs tors. theta energy: -76.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -855.076449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.076449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.076449 (E_RNA)
where:
Base-Base interactions energy: -581.177
where: short stacking energy: -264.033
Base-Backbone interact. energy: -1.852
local terms energy: -272.046715
where:
bonds (distance) C4'-P energy: -46.370
bonds (distance) P-C4' energy: -55.252
flat angles C4'-P-C4' energy: -62.076
flat angles P-C4'-P energy: -33.420
tors. eta vs tors. theta energy: -74.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -811.590744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.590744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.590744 (E_RNA)
where:
Base-Base interactions energy: -542.047
where: short stacking energy: -243.319
Base-Backbone interact. energy: -0.764
local terms energy: -268.779349
where:
bonds (distance) C4'-P energy: -42.685
bonds (distance) P-C4' energy: -43.364
flat angles C4'-P-C4' energy: -59.736
flat angles P-C4'-P energy: -42.304
tors. eta vs tors. theta energy: -80.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -715.572337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.572337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.572337 (E_RNA)
where:
Base-Base interactions energy: -480.041
where: short stacking energy: -208.424
Base-Backbone interact. energy: 2.356
local terms energy: -237.887070
where:
bonds (distance) C4'-P energy: -41.468
bonds (distance) P-C4' energy: -48.671
flat angles C4'-P-C4' energy: -52.309
flat angles P-C4'-P energy: -42.997
tors. eta vs tors. theta energy: -52.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -613.097291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -613.097291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -613.097291 (E_RNA)
where:
Base-Base interactions energy: -406.887
where: short stacking energy: -205.037
Base-Backbone interact. energy: -0.806
local terms energy: -205.404370
where:
bonds (distance) C4'-P energy: -39.816
bonds (distance) P-C4' energy: -42.084
flat angles C4'-P-C4' energy: -49.084
flat angles P-C4'-P energy: -23.145
tors. eta vs tors. theta energy: -51.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -455.102148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -455.102148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -455.102148 (E_RNA)
where:
Base-Base interactions energy: -261.252
where: short stacking energy: -142.527
Base-Backbone interact. energy: -0.202
local terms energy: -193.648512
where:
bonds (distance) C4'-P energy: -41.257
bonds (distance) P-C4' energy: -49.971
flat angles C4'-P-C4' energy: -46.870
flat angles P-C4'-P energy: -26.207
tors. eta vs tors. theta energy: -29.343
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: 10, replica: 3
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -341.924151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.924151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.924151 (E_RNA)
where:
Base-Base interactions energy: -176.478
where: short stacking energy: -103.806
Base-Backbone interact. energy: -0.399
local terms energy: -165.047450
where:
bonds (distance) C4'-P energy: -42.252
bonds (distance) P-C4' energy: -49.324
flat angles C4'-P-C4' energy: -41.589
flat angles P-C4'-P energy: -25.829
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1040.096445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.096445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.096445 (E_RNA)
where:
Base-Base interactions energy: -737.206
where: short stacking energy: -312.496
Base-Backbone interact. energy: 4.915
local terms energy: -307.805689
where:
bonds (distance) C4'-P energy: -54.023
bonds (distance) P-C4' energy: -53.093
flat angles C4'-P-C4' energy: -61.723
flat angles P-C4'-P energy: -51.113
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: 2, replica: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -986.451287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.451287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.451287 (E_RNA)
where:
Base-Base interactions energy: -675.507
where: short stacking energy: -295.114
Base-Backbone interact. energy: -0.303
local terms energy: -310.641211
where:
bonds (distance) C4'-P energy: -55.942
bonds (distance) P-C4' energy: -59.777
flat angles C4'-P-C4' energy: -58.211
flat angles P-C4'-P energy: -47.222
tors. eta vs tors. theta energy: -89.489
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: 3, replica: 7
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -972.560419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.560419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.560419 (E_RNA)
where:
Base-Base interactions energy: -673.167
where: short stacking energy: -298.812
Base-Backbone interact. energy: 0.034
local terms energy: -299.426927
where:
bonds (distance) C4'-P energy: -48.160
bonds (distance) P-C4' energy: -52.495
flat angles C4'-P-C4' energy: -62.604
flat angles P-C4'-P energy: -39.653
tors. eta vs tors. theta energy: -96.515
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: 8
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -899.296936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -899.296936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -899.296936 (E_RNA)
where:
Base-Base interactions energy: -599.236
where: short stacking energy: -260.414
Base-Backbone interact. energy: -1.213
local terms energy: -298.847735
where:
bonds (distance) C4'-P energy: -68.416
bonds (distance) P-C4' energy: -49.326
flat angles C4'-P-C4' energy: -62.210
flat angles P-C4'-P energy: -37.161
tors. eta vs tors. theta energy: -81.736
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: 2
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -835.114789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.114789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.114789 (E_RNA)
where:
Base-Base interactions energy: -561.668
where: short stacking energy: -250.155
Base-Backbone interact. energy: -0.966
local terms energy: -272.480810
where:
bonds (distance) C4'-P energy: -55.684
bonds (distance) P-C4' energy: -53.197
flat angles C4'-P-C4' energy: -52.702
flat angles P-C4'-P energy: -37.132
tors. eta vs tors. theta energy: -73.766
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: 6, replica: 5
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -807.604382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.604382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.604382 (E_RNA)
where:
Base-Base interactions energy: -536.375
where: short stacking energy: -230.919
Base-Backbone interact. energy: -1.473
local terms energy: -269.755486
where:
bonds (distance) C4'-P energy: -51.816
bonds (distance) P-C4' energy: -52.727
flat angles C4'-P-C4' energy: -53.983
flat angles P-C4'-P energy: -42.416
tors. eta vs tors. theta energy: -68.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -719.383843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.383843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.383843 (E_RNA)
where:
Base-Base interactions energy: -481.845
where: short stacking energy: -210.304
Base-Backbone interact. energy: 1.146
local terms energy: -238.684825
where:
bonds (distance) C4'-P energy: -31.032
bonds (distance) P-C4' energy: -48.973
flat angles C4'-P-C4' energy: -57.306
flat angles P-C4'-P energy: -46.750
tors. eta vs tors. theta energy: -54.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -594.162510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -594.162510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -594.162510 (E_RNA)
where:
Base-Base interactions energy: -395.164
where: short stacking energy: -178.897
Base-Backbone interact. energy: -0.732
local terms energy: -198.266478
where:
bonds (distance) C4'-P energy: -36.426
bonds (distance) P-C4' energy: -46.234
flat angles C4'-P-C4' energy: -48.064
flat angles P-C4'-P energy: -29.070
tors. eta vs tors. theta energy: -38.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -457.886132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.886132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.886132 (E_RNA)
where:
Base-Base interactions energy: -270.508
where: short stacking energy: -136.949
Base-Backbone interact. energy: 0.539
local terms energy: -187.917811
where:
bonds (distance) C4'-P energy: -42.379
bonds (distance) P-C4' energy: -55.278
flat angles C4'-P-C4' energy: -40.737
flat angles P-C4'-P energy: -18.293
tors. eta vs tors. theta energy: -31.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -341.022774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -341.022774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -341.022774 (E_RNA)
where:
Base-Base interactions energy: -171.790
where: short stacking energy: -116.379
Base-Backbone interact. energy: -1.057
local terms energy: -168.175766
where:
bonds (distance) C4'-P energy: -46.237
bonds (distance) P-C4' energy: -45.201
flat angles C4'-P-C4' energy: -46.520
flat angles P-C4'-P energy: -19.560
tors. eta vs tors. theta energy: -10.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1019.630824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.630824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.630824 (E_RNA)
where:
Base-Base interactions energy: -718.560
where: short stacking energy: -288.997
Base-Backbone interact. energy: -2.731
local terms energy: -298.340079
where:
bonds (distance) C4'-P energy: -56.660
bonds (distance) P-C4' energy: -56.145
flat angles C4'-P-C4' energy: -63.016
flat angles P-C4'-P energy: -40.216
tors. eta vs tors. theta energy: -82.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -995.654372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.654372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.654372 (E_RNA)
where:
Base-Base interactions energy: -691.118
where: short stacking energy: -302.755
Base-Backbone interact. energy: -1.173
local terms energy: -303.363661
where:
bonds (distance) C4'-P energy: -49.942
bonds (distance) P-C4' energy: -52.029
flat angles C4'-P-C4' energy: -65.767
flat angles P-C4'-P energy: -43.191
tors. eta vs tors. theta energy: -92.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -958.783143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.783143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.783143 (E_RNA)
where:
Base-Base interactions energy: -660.994
where: short stacking energy: -290.742
Base-Backbone interact. energy: -0.940
local terms energy: -296.849838
where:
bonds (distance) C4'-P energy: -50.349
bonds (distance) P-C4' energy: -63.357
flat angles C4'-P-C4' energy: -61.901
flat angles P-C4'-P energy: -40.691
tors. eta vs tors. theta energy: -80.552
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: 2
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -882.343471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.343471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.343471 (E_RNA)
where:
Base-Base interactions energy: -594.134
where: short stacking energy: -266.399
Base-Backbone interact. energy: -0.958
local terms energy: -287.251308
where:
bonds (distance) C4'-P energy: -47.894
bonds (distance) P-C4' energy: -59.935
flat angles C4'-P-C4' energy: -62.547
flat angles P-C4'-P energy: -40.871
tors. eta vs tors. theta energy: -76.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -861.722353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.722353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.722353 (E_RNA)
where:
Base-Base interactions energy: -596.958
where: short stacking energy: -260.424
Base-Backbone interact. energy: -1.849
local terms energy: -262.915948
where:
bonds (distance) C4'-P energy: -54.881
bonds (distance) P-C4' energy: -43.028
flat angles C4'-P-C4' energy: -51.782
flat angles P-C4'-P energy: -37.415
tors. eta vs tors. theta energy: -75.811
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: 5
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -815.666519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -815.666519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -815.666519 (E_RNA)
where:
Base-Base interactions energy: -548.435
where: short stacking energy: -243.669
Base-Backbone interact. energy: 0.705
local terms energy: -267.936358
where:
bonds (distance) C4'-P energy: -51.249
bonds (distance) P-C4' energy: -52.516
flat angles C4'-P-C4' energy: -62.602
flat angles P-C4'-P energy: -29.468
tors. eta vs tors. theta energy: -72.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -739.053818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.053818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.053818 (E_RNA)
where:
Base-Base interactions energy: -503.490
where: short stacking energy: -215.176
Base-Backbone interact. energy: -0.046
local terms energy: -235.516918
where:
bonds (distance) C4'-P energy: -35.691
bonds (distance) P-C4' energy: -55.184
flat angles C4'-P-C4' energy: -60.739
flat angles P-C4'-P energy: -30.174
tors. eta vs tors. theta energy: -53.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -601.313696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -601.313696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -601.313696 (E_RNA)
where:
Base-Base interactions energy: -394.874
where: short stacking energy: -172.282
Base-Backbone interact. energy: 2.660
local terms energy: -209.099721
where:
bonds (distance) C4'-P energy: -56.960
bonds (distance) P-C4' energy: -51.148
flat angles C4'-P-C4' energy: -44.441
flat angles P-C4'-P energy: -28.300
tors. eta vs tors. theta energy: -28.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -480.034936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -480.034936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -480.034936 (E_RNA)
where:
Base-Base interactions energy: -285.550
where: short stacking energy: -144.591
Base-Backbone interact. energy: -0.950
local terms energy: -193.534951
where:
bonds (distance) C4'-P energy: -44.121
bonds (distance) P-C4' energy: -46.144
flat angles C4'-P-C4' energy: -48.778
flat angles P-C4'-P energy: -30.979
tors. eta vs tors. theta energy: -23.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -359.278017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.278017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.278017 (E_RNA)
where:
Base-Base interactions energy: -190.151
where: short stacking energy: -113.996
Base-Backbone interact. energy: -0.871
local terms energy: -168.256214
where:
bonds (distance) C4'-P energy: -43.063
bonds (distance) P-C4' energy: -44.014
flat angles C4'-P-C4' energy: -45.296
flat angles P-C4'-P energy: -31.424
tors. eta vs tors. theta energy: -4.459
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: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1009.195058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.195058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.195058 (E_RNA)
where:
Base-Base interactions energy: -680.231
where: short stacking energy: -279.055
Base-Backbone interact. energy: -3.905
local terms energy: -325.059457
where:
bonds (distance) C4'-P energy: -65.188
bonds (distance) P-C4' energy: -56.311
flat angles C4'-P-C4' energy: -67.921
flat angles P-C4'-P energy: -54.162
tors. eta vs tors. theta energy: -81.478
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: 7
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -994.820945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.820945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.820945 (E_RNA)
where:
Base-Base interactions energy: -683.980
where: short stacking energy: -287.373
Base-Backbone interact. energy: -0.368
local terms energy: -310.472887
where:
bonds (distance) C4'-P energy: -56.419
bonds (distance) P-C4' energy: -53.577
flat angles C4'-P-C4' energy: -68.743
flat angles P-C4'-P energy: -44.777
tors. eta vs tors. theta energy: -86.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -951.331258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -951.331258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -951.331258 (E_RNA)
where:
Base-Base interactions energy: -659.864
where: short stacking energy: -279.331
Base-Backbone interact. energy: -1.132
local terms energy: -290.335337
where:
bonds (distance) C4'-P energy: -53.574
bonds (distance) P-C4' energy: -42.740
flat angles C4'-P-C4' energy: -61.607
flat angles P-C4'-P energy: -52.094
tors. eta vs tors. theta energy: -80.321
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: 2
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -877.744536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.744536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.744536 (E_RNA)
where:
Base-Base interactions energy: -602.942
where: short stacking energy: -276.707
Base-Backbone interact. energy: -1.108
local terms energy: -273.694733
where:
bonds (distance) C4'-P energy: -43.578
bonds (distance) P-C4' energy: -45.012
flat angles C4'-P-C4' energy: -60.033
flat angles P-C4'-P energy: -40.088
tors. eta vs tors. theta energy: -84.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -895.253106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -895.253106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -895.253106 (E_RNA)
where:
Base-Base interactions energy: -615.234
where: short stacking energy: -270.040
Base-Backbone interact. energy: -1.490
local terms energy: -278.529264
where:
bonds (distance) C4'-P energy: -54.626
bonds (distance) P-C4' energy: -50.369
flat angles C4'-P-C4' energy: -59.538
flat angles P-C4'-P energy: -34.496
tors. eta vs tors. theta energy: -79.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -798.457379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.457379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.457379 (E_RNA)
where:
Base-Base interactions energy: -545.116
where: short stacking energy: -239.083
Base-Backbone interact. energy: 0.363
local terms energy: -253.704253
where:
bonds (distance) C4'-P energy: -46.941
bonds (distance) P-C4' energy: -51.809
flat angles C4'-P-C4' energy: -55.243
flat angles P-C4'-P energy: -36.708
tors. eta vs tors. theta energy: -63.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -717.997992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.997992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.997992 (E_RNA)
where:
Base-Base interactions energy: -496.704
where: short stacking energy: -220.371
Base-Backbone interact. energy: -0.420
local terms energy: -220.874318
where:
bonds (distance) C4'-P energy: -38.825
bonds (distance) P-C4' energy: -42.303
flat angles C4'-P-C4' energy: -42.037
flat angles P-C4'-P energy: -32.144
tors. eta vs tors. theta energy: -65.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -642.940715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -642.940715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -642.940715 (E_RNA)
where:
Base-Base interactions energy: -414.011
where: short stacking energy: -179.127
Base-Backbone interact. energy: -1.049
local terms energy: -227.880497
where:
bonds (distance) C4'-P energy: -52.572
bonds (distance) P-C4' energy: -51.394
flat angles C4'-P-C4' energy: -48.754
flat angles P-C4'-P energy: -28.556
tors. eta vs tors. theta energy: -46.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -456.783531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.783531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.783531 (E_RNA)
where:
Base-Base interactions energy: -271.672
where: short stacking energy: -142.090
Base-Backbone interact. energy: 2.868
local terms energy: -187.979364
where:
bonds (distance) C4'-P energy: -46.566
bonds (distance) P-C4' energy: -49.630
flat angles C4'-P-C4' energy: -48.814
flat angles P-C4'-P energy: -21.842
tors. eta vs tors. theta energy: -21.127
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: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -342.531139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -342.531139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -342.531139 (E_RNA)
where:
Base-Base interactions energy: -190.392
where: short stacking energy: -98.775
Base-Backbone interact. energy: -1.962
local terms energy: -150.177535
where:
bonds (distance) C4'-P energy: -46.711
bonds (distance) P-C4' energy: -49.043
flat angles C4'-P-C4' energy: -34.797
flat angles P-C4'-P energy: -18.729
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1024.658782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.658782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.658782 (E_RNA)
where:
Base-Base interactions energy: -715.083
where: short stacking energy: -298.765
Base-Backbone interact. energy: 0.018
local terms energy: -309.594023
where:
bonds (distance) C4'-P energy: -57.669
bonds (distance) P-C4' energy: -64.268
flat angles C4'-P-C4' energy: -66.098
flat angles P-C4'-P energy: -38.649
tors. eta vs tors. theta energy: -82.910
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: 471
Temperature: 0.950000
Total energy: -1005.822593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.822593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.822593 (E_RNA)
where:
Base-Base interactions energy: -695.286
where: short stacking energy: -297.507
Base-Backbone interact. energy: -2.920
local terms energy: -307.617026
where:
bonds (distance) C4'-P energy: -59.256
bonds (distance) P-C4' energy: -57.179
flat angles C4'-P-C4' energy: -60.923
flat angles P-C4'-P energy: -36.834
tors. eta vs tors. theta energy: -93.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -964.593543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.593543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.593543 (E_RNA)
where:
Base-Base interactions energy: -661.383
where: short stacking energy: -272.469
Base-Backbone interact. energy: -0.836
local terms energy: -302.375127
where:
bonds (distance) C4'-P energy: -51.993
bonds (distance) P-C4' energy: -57.331
flat angles C4'-P-C4' energy: -69.200
flat angles P-C4'-P energy: -41.769
tors. eta vs tors. theta energy: -82.082
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: 8
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -903.899484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.899484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.899484 (E_RNA)
where:
Base-Base interactions energy: -616.897
where: short stacking energy: -260.866
Base-Backbone interact. energy: -2.458
local terms energy: -284.543949
where:
bonds (distance) C4'-P energy: -51.452
bonds (distance) P-C4' energy: -53.427
flat angles C4'-P-C4' energy: -58.653
flat angles P-C4'-P energy: -42.082
tors. eta vs tors. theta energy: -78.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -864.516195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.516195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.516195 (E_RNA)
where:
Base-Base interactions energy: -590.708
where: short stacking energy: -256.676
Base-Backbone interact. energy: 0.530
local terms energy: -274.338375
where:
bonds (distance) C4'-P energy: -49.881
bonds (distance) P-C4' energy: -44.194
flat angles C4'-P-C4' energy: -56.852
flat angles P-C4'-P energy: -43.961
tors. eta vs tors. theta energy: -79.450
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: 5
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -790.699902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -790.699902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -790.699902 (E_RNA)
where:
Base-Base interactions energy: -536.241
where: short stacking energy: -249.061
Base-Backbone interact. energy: -1.531
local terms energy: -252.927748
where:
bonds (distance) C4'-P energy: -53.651
bonds (distance) P-C4' energy: -49.006
flat angles C4'-P-C4' energy: -49.912
flat angles P-C4'-P energy: -30.865
tors. eta vs tors. theta energy: -69.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -706.104739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -706.104739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -706.104739 (E_RNA)
where:
Base-Base interactions energy: -469.296
where: short stacking energy: -205.095
Base-Backbone interact. energy: -0.642
local terms energy: -236.166623
where:
bonds (distance) C4'-P energy: -47.456
bonds (distance) P-C4' energy: -42.758
flat angles C4'-P-C4' energy: -54.066
flat angles P-C4'-P energy: -33.793
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: 10
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -619.527969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -619.527969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -619.527969 (E_RNA)
where:
Base-Base interactions energy: -395.366
where: short stacking energy: -179.747
Base-Backbone interact. energy: -0.245
local terms energy: -223.916932
where:
bonds (distance) C4'-P energy: -42.424
bonds (distance) P-C4' energy: -50.297
flat angles C4'-P-C4' energy: -46.188
flat angles P-C4'-P energy: -36.127
tors. eta vs tors. theta energy: -48.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -437.206645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -437.206645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -437.206645 (E_RNA)
where:
Base-Base interactions energy: -279.231
where: short stacking energy: -127.211
Base-Backbone interact. energy: -0.712
local terms energy: -157.263717
where:
bonds (distance) C4'-P energy: -42.612
bonds (distance) P-C4' energy: -41.698
flat angles C4'-P-C4' energy: -46.714
flat angles P-C4'-P energy: -21.029
tors. eta vs tors. theta energy: -5.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -350.412714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.412714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.412714 (E_RNA)
where:
Base-Base interactions energy: -186.404
where: short stacking energy: -99.815
Base-Backbone interact. energy: -1.577
local terms energy: -162.432257
where:
bonds (distance) C4'-P energy: -32.066
bonds (distance) P-C4' energy: -50.132
flat angles C4'-P-C4' energy: -45.473
flat angles P-C4'-P energy: -23.546
tors. eta vs tors. theta energy: -11.215
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: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -1018.534795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.534795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.534795 (E_RNA)
where:
Base-Base interactions energy: -715.046
where: short stacking energy: -295.776
Base-Backbone interact. energy: -1.417
local terms energy: -302.072675
where:
bonds (distance) C4'-P energy: -57.893
bonds (distance) P-C4' energy: -57.840
flat angles C4'-P-C4' energy: -57.724
flat angles P-C4'-P energy: -44.980
tors. eta vs tors. theta energy: -83.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1016.888562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.888562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.888562 (E_RNA)
where:
Base-Base interactions energy: -701.929
where: short stacking energy: -304.776
Base-Backbone interact. energy: -0.458
local terms energy: -314.501721
where:
bonds (distance) C4'-P energy: -63.021
bonds (distance) P-C4' energy: -49.404
flat angles C4'-P-C4' energy: -64.451
flat angles P-C4'-P energy: -44.133
tors. eta vs tors. theta energy: -93.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -945.849251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.849251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.849251 (E_RNA)
where:
Base-Base interactions energy: -659.888
where: short stacking energy: -282.280
Base-Backbone interact. energy: 0.033
local terms energy: -285.994596
where:
bonds (distance) C4'-P energy: -52.209
bonds (distance) P-C4' energy: -47.782
flat angles C4'-P-C4' energy: -58.945
flat angles P-C4'-P energy: -44.295
tors. eta vs tors. theta energy: -82.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -889.083779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.083779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.083779 (E_RNA)
where:
Base-Base interactions energy: -597.007
where: short stacking energy: -269.312
Base-Backbone interact. energy: -1.462
local terms energy: -290.614328
where:
bonds (distance) C4'-P energy: -57.127
bonds (distance) P-C4' energy: -53.709
flat angles C4'-P-C4' energy: -69.937
flat angles P-C4'-P energy: -37.525
tors. eta vs tors. theta energy: -72.317
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: 2
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -802.192639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.192639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.192639 (E_RNA)
where:
Base-Base interactions energy: -537.319
where: short stacking energy: -238.800
Base-Backbone interact. energy: -1.451
local terms energy: -263.421826
where:
bonds (distance) C4'-P energy: -52.866
bonds (distance) P-C4' energy: -41.281
flat angles C4'-P-C4' energy: -56.891
flat angles P-C4'-P energy: -43.570
tors. eta vs tors. theta energy: -68.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -791.780455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.780455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.780455 (E_RNA)
where:
Base-Base interactions energy: -546.424
where: short stacking energy: -256.498
Base-Backbone interact. energy: -0.813
local terms energy: -244.543151
where:
bonds (distance) C4'-P energy: -42.272
bonds (distance) P-C4' energy: -42.547
flat angles C4'-P-C4' energy: -57.822
flat angles P-C4'-P energy: -33.315
tors. eta vs tors. theta energy: -68.588
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: 6
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -721.094592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.094592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.094592 (E_RNA)
where:
Base-Base interactions energy: -474.594
where: short stacking energy: -213.584
Base-Backbone interact. energy: -1.983
local terms energy: -244.516795
where:
bonds (distance) C4'-P energy: -57.688
bonds (distance) P-C4' energy: -53.924
flat angles C4'-P-C4' energy: -55.042
flat angles P-C4'-P energy: -27.309
tors. eta vs tors. theta energy: -50.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -626.245188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -626.245188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -626.245188 (E_RNA)
where:
Base-Base interactions energy: -410.133
where: short stacking energy: -173.504
Base-Backbone interact. energy: -0.708
local terms energy: -215.403489
where:
bonds (distance) C4'-P energy: -54.179
bonds (distance) P-C4' energy: -43.067
flat angles C4'-P-C4' energy: -45.225
flat angles P-C4'-P energy: -27.911
tors. eta vs tors. theta energy: -45.021
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: 9
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -435.622424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -435.622424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -435.622424 (E_RNA)
where:
Base-Base interactions energy: -262.030
where: short stacking energy: -146.976
Base-Backbone interact. energy: -1.413
local terms energy: -172.178961
where:
bonds (distance) C4'-P energy: -46.605
bonds (distance) P-C4' energy: -48.110
flat angles C4'-P-C4' energy: -41.398
flat angles P-C4'-P energy: -21.536
tors. eta vs tors. theta energy: -14.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -363.738356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -363.738356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -363.738356 (E_RNA)
where:
Base-Base interactions energy: -204.923
where: short stacking energy: -116.406
Base-Backbone interact. energy: -2.237
local terms energy: -156.578804
where:
bonds (distance) C4'-P energy: -44.384
bonds (distance) P-C4' energy: -40.727
flat angles C4'-P-C4' energy: -39.289
flat angles P-C4'-P energy: -20.311
tors. eta vs tors. theta energy: -11.868
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: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1017.554053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.554053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.554053 (E_RNA)
where:
Base-Base interactions energy: -714.318
where: short stacking energy: -283.303
Base-Backbone interact. energy: -1.112
local terms energy: -302.123961
where:
bonds (distance) C4'-P energy: -61.356
bonds (distance) P-C4' energy: -53.950
flat angles C4'-P-C4' energy: -65.302
flat angles P-C4'-P energy: -37.268
tors. eta vs tors. theta energy: -84.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1020.447254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.447254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.447254 (E_RNA)
where:
Base-Base interactions energy: -697.853
where: short stacking energy: -317.190
Base-Backbone interact. energy: -0.283
local terms energy: -322.311950
where:
bonds (distance) C4'-P energy: -54.000
bonds (distance) P-C4' energy: -53.886
flat angles C4'-P-C4' energy: -68.513
flat angles P-C4'-P energy: -52.018
tors. eta vs tors. theta energy: -93.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -949.052548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -949.052548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -949.052548 (E_RNA)
where:
Base-Base interactions energy: -639.972
where: short stacking energy: -270.906
Base-Backbone interact. energy: -1.063
local terms energy: -308.018128
where:
bonds (distance) C4'-P energy: -52.754
bonds (distance) P-C4' energy: -63.635
flat angles C4'-P-C4' energy: -62.234
flat angles P-C4'-P energy: -46.162
tors. eta vs tors. theta energy: -83.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -866.519845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.519845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.519845 (E_RNA)
where:
Base-Base interactions energy: -591.961
where: short stacking energy: -258.662
Base-Backbone interact. energy: 1.554
local terms energy: -276.113613
where:
bonds (distance) C4'-P energy: -47.619
bonds (distance) P-C4' energy: -55.116
flat angles C4'-P-C4' energy: -57.466
flat angles P-C4'-P energy: -37.159
tors. eta vs tors. theta energy: -78.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -801.211662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.211662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.211662 (E_RNA)
where:
Base-Base interactions energy: -544.231
where: short stacking energy: -243.977
Base-Backbone interact. energy: -2.342
local terms energy: -254.639250
where:
bonds (distance) C4'-P energy: -45.946
bonds (distance) P-C4' energy: -52.668
flat angles C4'-P-C4' energy: -56.846
flat angles P-C4'-P energy: -37.447
tors. eta vs tors. theta energy: -61.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -763.274712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -763.274712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -763.274712 (E_RNA)
where:
Base-Base interactions energy: -514.329
where: short stacking energy: -224.584
Base-Backbone interact. energy: -1.585
local terms energy: -247.360227
where:
bonds (distance) C4'-P energy: -39.643
bonds (distance) P-C4' energy: -44.495
flat angles C4'-P-C4' energy: -58.400
flat angles P-C4'-P energy: -39.303
tors. eta vs tors. theta energy: -65.519
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: 6
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -747.134143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.134143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.134143 (E_RNA)
where:
Base-Base interactions energy: -495.966
where: short stacking energy: -212.940
Base-Backbone interact. energy: -1.017
local terms energy: -250.151655
where:
bonds (distance) C4'-P energy: -53.411
bonds (distance) P-C4' energy: -55.871
flat angles C4'-P-C4' energy: -54.394
flat angles P-C4'-P energy: -26.592
tors. eta vs tors. theta energy: -59.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -614.295226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -614.295226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -614.295226 (E_RNA)
where:
Base-Base interactions energy: -389.866
where: short stacking energy: -164.649
Base-Backbone interact. energy: -0.644
local terms energy: -223.785115
where:
bonds (distance) C4'-P energy: -49.297
bonds (distance) P-C4' energy: -42.669
flat angles C4'-P-C4' energy: -55.304
flat angles P-C4'-P energy: -31.254
tors. eta vs tors. theta energy: -45.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -459.644323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -459.644323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -459.644323 (E_RNA)
where:
Base-Base interactions energy: -284.136
where: short stacking energy: -141.180
Base-Backbone interact. energy: 2.869
local terms energy: -178.377018
where:
bonds (distance) C4'-P energy: -36.365
bonds (distance) P-C4' energy: -50.197
flat angles C4'-P-C4' energy: -44.677
flat angles P-C4'-P energy: -22.835
tors. eta vs tors. theta energy: -24.302
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: 3
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -336.050815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -336.050815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -336.050815 (E_RNA)
where:
Base-Base interactions energy: -176.090
where: short stacking energy: -110.808
Base-Backbone interact. energy: 4.833
local terms energy: -164.794335
where:
bonds (distance) C4'-P energy: -36.947
bonds (distance) P-C4' energy: -51.072
flat angles C4'-P-C4' energy: -45.165
flat angles P-C4'-P energy: -23.428
tors. eta vs tors. theta energy: -8.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1019.092538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.092538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.092538 (E_RNA)
where:
Base-Base interactions energy: -701.636
where: short stacking energy: -300.574
Base-Backbone interact. energy: -1.079
local terms energy: -316.377016
where:
bonds (distance) C4'-P energy: -53.153
bonds (distance) P-C4' energy: -64.299
flat angles C4'-P-C4' energy: -67.448
flat angles P-C4'-P energy: -43.099
tors. eta vs tors. theta energy: -88.377
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: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1004.423951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.423951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.423951 (E_RNA)
where:
Base-Base interactions energy: -697.633
where: short stacking energy: -295.632
Base-Backbone interact. energy: -0.461
local terms energy: -306.329682
where:
bonds (distance) C4'-P energy: -59.037
bonds (distance) P-C4' energy: -54.165
flat angles C4'-P-C4' energy: -66.030
flat angles P-C4'-P energy: -37.237
tors. eta vs tors. theta energy: -89.861
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: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -955.096836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.096836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.096836 (E_RNA)
where:
Base-Base interactions energy: -652.242
where: short stacking energy: -294.671
Base-Backbone interact. energy: -0.675
local terms energy: -302.179930
where:
bonds (distance) C4'-P energy: -60.784
bonds (distance) P-C4' energy: -52.778
flat angles C4'-P-C4' energy: -57.207
flat angles P-C4'-P energy: -43.891
tors. eta vs tors. theta energy: -87.520
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: 8
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -878.027709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.027709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.027709 (E_RNA)
where:
Base-Base interactions energy: -579.576
where: short stacking energy: -266.136
Base-Backbone interact. energy: -0.504
local terms energy: -297.948075
where:
bonds (distance) C4'-P energy: -60.040
bonds (distance) P-C4' energy: -56.254
flat angles C4'-P-C4' energy: -56.264
flat angles P-C4'-P energy: -42.877
tors. eta vs tors. theta energy: -82.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -832.977000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.977000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.977000 (E_RNA)
where:
Base-Base interactions energy: -554.874
where: short stacking energy: -249.694
Base-Backbone interact. energy: -0.347
local terms energy: -277.756159
where:
bonds (distance) C4'-P energy: -45.838
bonds (distance) P-C4' energy: -56.557
flat angles C4'-P-C4' energy: -68.465
flat angles P-C4'-P energy: -32.174
tors. eta vs tors. theta energy: -74.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -771.316975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.316975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.316975 (E_RNA)
where:
Base-Base interactions energy: -510.549
where: short stacking energy: -216.911
Base-Backbone interact. energy: -0.957
local terms energy: -259.810661
where:
bonds (distance) C4'-P energy: -51.582
bonds (distance) P-C4' energy: -48.427
flat angles C4'-P-C4' energy: -59.918
flat angles P-C4'-P energy: -39.810
tors. eta vs tors. theta energy: -60.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -713.263280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -713.263280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -713.263280 (E_RNA)
where:
Base-Base interactions energy: -474.064
where: short stacking energy: -212.847
Base-Backbone interact. energy: -1.024
local terms energy: -238.175471
where:
bonds (distance) C4'-P energy: -44.783
bonds (distance) P-C4' energy: -50.679
flat angles C4'-P-C4' energy: -56.838
flat angles P-C4'-P energy: -32.241
tors. eta vs tors. theta energy: -53.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -612.220158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -612.220158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -612.220158 (E_RNA)
where:
Base-Base interactions energy: -408.604
where: short stacking energy: -184.376
Base-Backbone interact. energy: -0.766
local terms energy: -202.850191
where:
bonds (distance) C4'-P energy: -41.743
bonds (distance) P-C4' energy: -44.387
flat angles C4'-P-C4' energy: -44.673
flat angles P-C4'-P energy: -27.923
tors. eta vs tors. theta energy: -44.125
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: 9
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -476.876759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -476.876759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -476.876759 (E_RNA)
where:
Base-Base interactions energy: -285.073
where: short stacking energy: -147.301
Base-Backbone interact. energy: -0.604
local terms energy: -191.200336
where:
bonds (distance) C4'-P energy: -45.643
bonds (distance) P-C4' energy: -51.253
flat angles C4'-P-C4' energy: -39.576
flat angles P-C4'-P energy: -23.031
tors. eta vs tors. theta energy: -31.698
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: 3
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -345.016242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -345.016242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -345.016242 (E_RNA)
where:
Base-Base interactions energy: -176.227
where: short stacking energy: -103.697
Base-Backbone interact. energy: -0.539
local terms energy: -168.250514
where:
bonds (distance) C4'-P energy: -49.936
bonds (distance) P-C4' energy: -43.253
flat angles C4'-P-C4' energy: -45.767
flat angles P-C4'-P energy: -30.021
tors. eta vs tors. theta energy: 0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -1023.633384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.633384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.633384 (E_RNA)
where:
Base-Base interactions energy: -716.042
where: short stacking energy: -302.957
Base-Backbone interact. energy: -1.184
local terms energy: -306.406881
where:
bonds (distance) C4'-P energy: -54.154
bonds (distance) P-C4' energy: -54.649
flat angles C4'-P-C4' energy: -67.560
flat angles P-C4'-P energy: -44.649
tors. eta vs tors. theta energy: -85.394
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: 475
Temperature: 0.950000
Total energy: -1007.120085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.120085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.120085 (E_RNA)
where:
Base-Base interactions energy: -688.086
where: short stacking energy: -288.847
Base-Backbone interact. energy: -1.530
local terms energy: -317.504301
where:
bonds (distance) C4'-P energy: -55.435
bonds (distance) P-C4' energy: -55.291
flat angles C4'-P-C4' energy: -63.125
flat angles P-C4'-P energy: -49.721
tors. eta vs tors. theta energy: -93.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -946.659894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.659894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.659894 (E_RNA)
where:
Base-Base interactions energy: -644.379
where: short stacking energy: -296.633
Base-Backbone interact. energy: -0.298
local terms energy: -301.982804
where:
bonds (distance) C4'-P energy: -48.786
bonds (distance) P-C4' energy: -60.383
flat angles C4'-P-C4' energy: -60.758
flat angles P-C4'-P energy: -41.704
tors. eta vs tors. theta energy: -90.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -898.208288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -898.208288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -898.208288 (E_RNA)
where:
Base-Base interactions energy: -611.783
where: short stacking energy: -268.590
Base-Backbone interact. energy: 0.498
local terms energy: -286.923543
where:
bonds (distance) C4'-P energy: -55.569
bonds (distance) P-C4' energy: -50.864
flat angles C4'-P-C4' energy: -56.279
flat angles P-C4'-P energy: -41.663
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: 5, replica: 2
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -807.689707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.689707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.689707 (E_RNA)
where:
Base-Base interactions energy: -545.287
where: short stacking energy: -254.097
Base-Backbone interact. energy: -0.798
local terms energy: -261.605245
where:
bonds (distance) C4'-P energy: -48.237
bonds (distance) P-C4' energy: -36.838
flat angles C4'-P-C4' energy: -63.856
flat angles P-C4'-P energy: -33.058
tors. eta vs tors. theta energy: -79.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -796.344972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -796.344972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -796.344972 (E_RNA)
where:
Base-Base interactions energy: -545.750
where: short stacking energy: -246.788
Base-Backbone interact. energy: -0.265
local terms energy: -250.330489
where:
bonds (distance) C4'-P energy: -39.744
bonds (distance) P-C4' energy: -44.086
flat angles C4'-P-C4' energy: -59.690
flat angles P-C4'-P energy: -33.597
tors. eta vs tors. theta energy: -73.214
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: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -725.254343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.254343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.254343 (E_RNA)
where:
Base-Base interactions energy: -481.631
where: short stacking energy: -223.033
Base-Backbone interact. energy: -0.052
local terms energy: -243.570844
where:
bonds (distance) C4'-P energy: -48.402
bonds (distance) P-C4' energy: -41.398
flat angles C4'-P-C4' energy: -49.213
flat angles P-C4'-P energy: -37.873
tors. eta vs tors. theta energy: -66.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -589.057269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -589.057269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -589.057269 (E_RNA)
where:
Base-Base interactions energy: -377.423
where: short stacking energy: -171.182
Base-Backbone interact. energy: -1.470
local terms energy: -210.164626
where:
bonds (distance) C4'-P energy: -57.242
bonds (distance) P-C4' energy: -44.228
flat angles C4'-P-C4' energy: -39.094
flat angles P-C4'-P energy: -29.649
tors. eta vs tors. theta energy: -39.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -473.023204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -473.023204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -473.023204 (E_RNA)
where:
Base-Base interactions energy: -262.562
where: short stacking energy: -133.649
Base-Backbone interact. energy: 0.007
local terms energy: -210.467807
where:
bonds (distance) C4'-P energy: -58.716
bonds (distance) P-C4' energy: -56.558
flat angles C4'-P-C4' energy: -39.535
flat angles P-C4'-P energy: -30.892
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -343.272334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -343.272334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -343.272334 (E_RNA)
where:
Base-Base interactions energy: -181.949
where: short stacking energy: -116.678
Base-Backbone interact. energy: -3.400
local terms energy: -157.923429
where:
bonds (distance) C4'-P energy: -34.746
bonds (distance) P-C4' energy: -45.582
flat angles C4'-P-C4' energy: -29.551
flat angles P-C4'-P energy: -26.784
tors. eta vs tors. theta energy: -21.260
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: 7
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1043.554345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.554345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.554345 (E_RNA)
where:
Base-Base interactions energy: -730.471
where: short stacking energy: -299.838
Base-Backbone interact. energy: -2.236
local terms energy: -310.847726
where:
bonds (distance) C4'-P energy: -57.706
bonds (distance) P-C4' energy: -56.442
flat angles C4'-P-C4' energy: -63.142
flat angles P-C4'-P energy: -39.781
tors. eta vs tors. theta energy: -93.778
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: 4
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -998.614611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.614611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.614611 (E_RNA)
where:
Base-Base interactions energy: -678.516
where: short stacking energy: -275.646
Base-Backbone interact. energy: -0.416
local terms energy: -319.682544
where:
bonds (distance) C4'-P energy: -59.636
bonds (distance) P-C4' energy: -65.804
flat angles C4'-P-C4' energy: -64.180
flat angles P-C4'-P energy: -43.822
tors. eta vs tors. theta energy: -86.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -950.755187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -950.755187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -950.755187 (E_RNA)
where:
Base-Base interactions energy: -672.686
where: short stacking energy: -282.039
Base-Backbone interact. energy: 1.044
local terms energy: -279.113368
where:
bonds (distance) C4'-P energy: -54.556
bonds (distance) P-C4' energy: -47.389
flat angles C4'-P-C4' energy: -62.833
flat angles P-C4'-P energy: -37.828
tors. eta vs tors. theta energy: -76.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -938.987227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.987227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.987227 (E_RNA)
where:
Base-Base interactions energy: -644.161
where: short stacking energy: -287.373
Base-Backbone interact. energy: -1.019
local terms energy: -293.807066
where:
bonds (distance) C4'-P energy: -57.827
bonds (distance) P-C4' energy: -57.110
flat angles C4'-P-C4' energy: -58.015
flat angles P-C4'-P energy: -40.911
tors. eta vs tors. theta energy: -79.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -821.372246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.372246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.372246 (E_RNA)
where:
Base-Base interactions energy: -534.319
where: short stacking energy: -237.609
Base-Backbone interact. energy: 0.683
local terms energy: -287.736549
where:
bonds (distance) C4'-P energy: -54.610
bonds (distance) P-C4' energy: -56.312
flat angles C4'-P-C4' energy: -59.267
flat angles P-C4'-P energy: -40.663
tors. eta vs tors. theta energy: -76.885
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: 476
Temperature: 1.150000
Total energy: -792.177254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -792.177254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -792.177254 (E_RNA)
where:
Base-Base interactions energy: -536.389
where: short stacking energy: -238.572
Base-Backbone interact. energy: -0.761
local terms energy: -255.027566
where:
bonds (distance) C4'-P energy: -50.030
bonds (distance) P-C4' energy: -48.321
flat angles C4'-P-C4' energy: -60.728
flat angles P-C4'-P energy: -35.933
tors. eta vs tors. theta energy: -60.015
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: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -736.053705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.053705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.053705 (E_RNA)
where:
Base-Base interactions energy: -483.671
where: short stacking energy: -208.975
Base-Backbone interact. energy: -1.546
local terms energy: -250.837215
where:
bonds (distance) C4'-P energy: -54.323
bonds (distance) P-C4' energy: -51.082
flat angles C4'-P-C4' energy: -53.701
flat angles P-C4'-P energy: -35.749
tors. eta vs tors. theta energy: -55.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -630.567064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -630.567064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -630.567064 (E_RNA)
where:
Base-Base interactions energy: -441.166
where: short stacking energy: -202.051
Base-Backbone interact. energy: -0.526
local terms energy: -188.874982
where:
bonds (distance) C4'-P energy: -21.740
bonds (distance) P-C4' energy: -50.795
flat angles C4'-P-C4' energy: -45.053
flat angles P-C4'-P energy: -26.051
tors. eta vs tors. theta energy: -45.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -454.790112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -454.790112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -454.790112 (E_RNA)
where:
Base-Base interactions energy: -256.883
where: short stacking energy: -135.049
Base-Backbone interact. energy: -0.780
local terms energy: -197.127749
where:
bonds (distance) C4'-P energy: -45.723
bonds (distance) P-C4' energy: -49.559
flat angles C4'-P-C4' energy: -43.517
flat angles P-C4'-P energy: -41.775
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -318.506935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -318.506935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -318.506935 (E_RNA)
where:
Base-Base interactions energy: -151.714
where: short stacking energy: -89.409
Base-Backbone interact. energy: -0.648
local terms energy: -166.145319
where:
bonds (distance) C4'-P energy: -37.228
bonds (distance) P-C4' energy: -50.322
flat angles C4'-P-C4' energy: -56.279
flat angles P-C4'-P energy: -22.836
tors. eta vs tors. theta energy: 0.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1060.631074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.631074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.631074 (E_RNA)
where:
Base-Base interactions energy: -744.909
where: short stacking energy: -303.432
Base-Backbone interact. energy: -1.288
local terms energy: -314.434306
where:
bonds (distance) C4'-P energy: -59.838
bonds (distance) P-C4' energy: -56.005
flat angles C4'-P-C4' energy: -63.546
flat angles P-C4'-P energy: -41.487
tors. eta vs tors. theta energy: -93.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -988.366919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.366919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.366919 (E_RNA)
where:
Base-Base interactions energy: -703.503
where: short stacking energy: -294.759
Base-Backbone interact. energy: -2.130
local terms energy: -282.733818
where:
bonds (distance) C4'-P energy: -46.841
bonds (distance) P-C4' energy: -60.822
flat angles C4'-P-C4' energy: -57.382
flat angles P-C4'-P energy: -37.318
tors. eta vs tors. theta energy: -80.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -964.849858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.849858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.849858 (E_RNA)
where:
Base-Base interactions energy: -659.796
where: short stacking energy: -276.425
Base-Backbone interact. energy: -0.824
local terms energy: -304.229965
where:
bonds (distance) C4'-P energy: -46.950
bonds (distance) P-C4' energy: -57.712
flat angles C4'-P-C4' energy: -63.982
flat angles P-C4'-P energy: -42.164
tors. eta vs tors. theta energy: -93.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -901.954820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -901.954820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -901.954820 (E_RNA)
where:
Base-Base interactions energy: -612.900
where: short stacking energy: -262.240
Base-Backbone interact. energy: -0.543
local terms energy: -288.512584
where:
bonds (distance) C4'-P energy: -52.877
bonds (distance) P-C4' energy: -55.757
flat angles C4'-P-C4' energy: -58.709
flat angles P-C4'-P energy: -39.196
tors. eta vs tors. theta energy: -81.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -827.346035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.346035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.346035 (E_RNA)
where:
Base-Base interactions energy: -576.970
where: short stacking energy: -255.139
Base-Backbone interact. energy: -0.310
local terms energy: -250.066079
where:
bonds (distance) C4'-P energy: -43.658
bonds (distance) P-C4' energy: -42.487
flat angles C4'-P-C4' energy: -52.638
flat angles P-C4'-P energy: -29.910
tors. eta vs tors. theta energy: -81.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -772.075658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.075658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.075658 (E_RNA)
where:
Base-Base interactions energy: -509.681
where: short stacking energy: -233.046
Base-Backbone interact. energy: -0.667
local terms energy: -261.728369
where:
bonds (distance) C4'-P energy: -46.717
bonds (distance) P-C4' energy: -56.286
flat angles C4'-P-C4' energy: -53.622
flat angles P-C4'-P energy: -35.925
tors. eta vs tors. theta energy: -69.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -751.215229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.215229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.215229 (E_RNA)
where:
Base-Base interactions energy: -505.655
where: short stacking energy: -231.090
Base-Backbone interact. energy: -0.535
local terms energy: -245.025508
where:
bonds (distance) C4'-P energy: -47.868
bonds (distance) P-C4' energy: -41.602
flat angles C4'-P-C4' energy: -58.342
flat angles P-C4'-P energy: -35.859
tors. eta vs tors. theta energy: -61.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -637.892068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.892068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.892068 (E_RNA)
where:
Base-Base interactions energy: -430.706
where: short stacking energy: -168.846
Base-Backbone interact. energy: -0.516
local terms energy: -206.669774
where:
bonds (distance) C4'-P energy: -45.596
bonds (distance) P-C4' energy: -52.491
flat angles C4'-P-C4' energy: -45.192
flat angles P-C4'-P energy: -24.706
tors. eta vs tors. theta energy: -38.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -445.964479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -445.964479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -445.964479 (E_RNA)
where:
Base-Base interactions energy: -276.523
where: short stacking energy: -132.135
Base-Backbone interact. energy: -2.186
local terms energy: -167.256393
where:
bonds (distance) C4'-P energy: -44.147
bonds (distance) P-C4' energy: -49.053
flat angles C4'-P-C4' energy: -35.030
flat angles P-C4'-P energy: -21.414
tors. eta vs tors. theta energy: -17.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -351.684752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -351.684752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -351.684752 (E_RNA)
where:
Base-Base interactions energy: -191.692
where: short stacking energy: -107.594
Base-Backbone interact. energy: 5.666
local terms energy: -165.658437
where:
bonds (distance) C4'-P energy: -39.014
bonds (distance) P-C4' energy: -32.722
flat angles C4'-P-C4' energy: -49.693
flat angles P-C4'-P energy: -32.228
tors. eta vs tors. theta energy: -12.001
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: 478
Temperature: 0.900000
Total energy: -1039.885768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.885768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.885768 (E_RNA)
where:
Base-Base interactions energy: -727.828
where: short stacking energy: -294.351
Base-Backbone interact. energy: -1.359
local terms energy: -310.698543
where:
bonds (distance) C4'-P energy: -56.523
bonds (distance) P-C4' energy: -55.433
flat angles C4'-P-C4' energy: -62.046
flat angles P-C4'-P energy: -42.770
tors. eta vs tors. theta energy: -93.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1008.989339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.989339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.989339 (E_RNA)
where:
Base-Base interactions energy: -698.927
where: short stacking energy: -288.503
Base-Backbone interact. energy: -1.827
local terms energy: -308.235099
where:
bonds (distance) C4'-P energy: -55.213
bonds (distance) P-C4' energy: -56.377
flat angles C4'-P-C4' energy: -64.619
flat angles P-C4'-P energy: -42.159
tors. eta vs tors. theta energy: -89.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -946.538389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -946.538389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -946.538389 (E_RNA)
where:
Base-Base interactions energy: -649.055
where: short stacking energy: -274.925
Base-Backbone interact. energy: -0.703
local terms energy: -296.780202
where:
bonds (distance) C4'-P energy: -53.309
bonds (distance) P-C4' energy: -59.139
flat angles C4'-P-C4' energy: -55.607
flat angles P-C4'-P energy: -40.153
tors. eta vs tors. theta energy: -88.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -913.938251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -913.938251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -913.938251 (E_RNA)
where:
Base-Base interactions energy: -622.012
where: short stacking energy: -271.976
Base-Backbone interact. energy: -1.383
local terms energy: -290.543098
where:
bonds (distance) C4'-P energy: -51.176
bonds (distance) P-C4' energy: -55.832
flat angles C4'-P-C4' energy: -62.940
flat angles P-C4'-P energy: -39.619
tors. eta vs tors. theta energy: -80.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -819.416220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.416220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.416220 (E_RNA)
where:
Base-Base interactions energy: -547.050
where: short stacking energy: -242.467
Base-Backbone interact. energy: -0.660
local terms energy: -271.706038
where:
bonds (distance) C4'-P energy: -56.609
bonds (distance) P-C4' energy: -46.091
flat angles C4'-P-C4' energy: -57.345
flat angles P-C4'-P energy: -38.446
tors. eta vs tors. theta energy: -73.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -764.506151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.506151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.506151 (E_RNA)
where:
Base-Base interactions energy: -526.756
where: short stacking energy: -250.370
Base-Backbone interact. energy: -1.137
local terms energy: -236.613343
where:
bonds (distance) C4'-P energy: -42.219
bonds (distance) P-C4' energy: -47.091
flat angles C4'-P-C4' energy: -50.550
flat angles P-C4'-P energy: -35.937
tors. eta vs tors. theta energy: -60.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -767.850124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -767.850124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -767.850124 (E_RNA)
where:
Base-Base interactions energy: -499.604
where: short stacking energy: -227.374
Base-Backbone interact. energy: -0.972
local terms energy: -267.274474
where:
bonds (distance) C4'-P energy: -50.680
bonds (distance) P-C4' energy: -60.871
flat angles C4'-P-C4' energy: -51.685
flat angles P-C4'-P energy: -37.867
tors. eta vs tors. theta energy: -66.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -680.957520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.957520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.957520 (E_RNA)
where:
Base-Base interactions energy: -465.965
where: short stacking energy: -202.787
Base-Backbone interact. energy: -0.864
local terms energy: -214.128547
where:
bonds (distance) C4'-P energy: -38.440
bonds (distance) P-C4' energy: -40.915
flat angles C4'-P-C4' energy: -55.307
flat angles P-C4'-P energy: -34.579
tors. eta vs tors. theta energy: -44.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -469.576499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -469.576499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -469.576499 (E_RNA)
where:
Base-Base interactions energy: -266.006
where: short stacking energy: -124.903
Base-Backbone interact. energy: -1.853
local terms energy: -201.717360
where:
bonds (distance) C4'-P energy: -52.061
bonds (distance) P-C4' energy: -51.179
flat angles C4'-P-C4' energy: -47.291
flat angles P-C4'-P energy: -33.372
tors. eta vs tors. theta energy: -17.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -337.083507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -337.083507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -337.083507 (E_RNA)
where:
Base-Base interactions energy: -180.060
where: short stacking energy: -104.612
Base-Backbone interact. energy: -0.711
local terms energy: -156.313290
where:
bonds (distance) C4'-P energy: -37.009
bonds (distance) P-C4' energy: -48.906
flat angles C4'-P-C4' energy: -44.134
flat angles P-C4'-P energy: -28.316
tors. eta vs tors. theta energy: 2.051
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: 1, replica: 7
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1054.268886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.268886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.268886 (E_RNA)
where:
Base-Base interactions energy: -727.940
where: short stacking energy: -308.768
Base-Backbone interact. energy: -2.546
local terms energy: -323.782445
where:
bonds (distance) C4'-P energy: -53.672
bonds (distance) P-C4' energy: -58.672
flat angles C4'-P-C4' energy: -64.441
flat angles P-C4'-P energy: -49.375
tors. eta vs tors. theta energy: -97.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1004.547223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.547223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.547223 (E_RNA)
where:
Base-Base interactions energy: -709.995
where: short stacking energy: -296.177
Base-Backbone interact. energy: 0.618
local terms energy: -295.169928
where:
bonds (distance) C4'-P energy: -51.426
bonds (distance) P-C4' energy: -47.648
flat angles C4'-P-C4' energy: -61.103
flat angles P-C4'-P energy: -47.491
tors. eta vs tors. theta energy: -87.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -945.951446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.951446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.951446 (E_RNA)
where:
Base-Base interactions energy: -653.784
where: short stacking energy: -284.717
Base-Backbone interact. energy: 0.277
local terms energy: -292.444596
where:
bonds (distance) C4'-P energy: -47.950
bonds (distance) P-C4' energy: -61.340
flat angles C4'-P-C4' energy: -55.702
flat angles P-C4'-P energy: -45.014
tors. eta vs tors. theta energy: -82.439
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: 4, replica: 8
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -918.481396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -918.481396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -918.481396 (E_RNA)
where:
Base-Base interactions energy: -634.924
where: short stacking energy: -280.368
Base-Backbone interact. energy: -0.771
local terms energy: -282.786869
where:
bonds (distance) C4'-P energy: -50.414
bonds (distance) P-C4' energy: -57.137
flat angles C4'-P-C4' energy: -59.384
flat angles P-C4'-P energy: -33.427
tors. eta vs tors. theta energy: -82.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -804.595616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -804.595616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -804.595616 (E_RNA)
where:
Base-Base interactions energy: -531.678
where: short stacking energy: -250.422
Base-Backbone interact. energy: -2.111
local terms energy: -270.806852
where:
bonds (distance) C4'-P energy: -48.961
bonds (distance) P-C4' energy: -57.503
flat angles C4'-P-C4' energy: -54.908
flat angles P-C4'-P energy: -38.704
tors. eta vs tors. theta energy: -70.732
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: 6, replica: 6
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -794.558088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -794.558088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -794.558088 (E_RNA)
where:
Base-Base interactions energy: -534.814
where: short stacking energy: -249.460
Base-Backbone interact. energy: 1.752
local terms energy: -261.495930
where:
bonds (distance) C4'-P energy: -52.410
bonds (distance) P-C4' energy: -50.817
flat angles C4'-P-C4' energy: -57.943
flat angles P-C4'-P energy: -33.315
tors. eta vs tors. theta energy: -67.010
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: 5
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -771.428591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.428591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.428591 (E_RNA)
where:
Base-Base interactions energy: -530.067
where: short stacking energy: -237.266
Base-Backbone interact. energy: 1.188
local terms energy: -242.549827
where:
bonds (distance) C4'-P energy: -39.195
bonds (distance) P-C4' energy: -52.812
flat angles C4'-P-C4' energy: -45.356
flat angles P-C4'-P energy: -40.973
tors. eta vs tors. theta energy: -64.213
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: 10
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -602.157517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -602.157517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -602.157517 (E_RNA)
where:
Base-Base interactions energy: -379.549
where: short stacking energy: -182.978
Base-Backbone interact. energy: -1.699
local terms energy: -220.909115
where:
bonds (distance) C4'-P energy: -45.088
bonds (distance) P-C4' energy: -45.026
flat angles C4'-P-C4' energy: -51.016
flat angles P-C4'-P energy: -35.227
tors. eta vs tors. theta energy: -44.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -483.454791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -483.454791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -483.454791 (E_RNA)
where:
Base-Base interactions energy: -294.047
where: short stacking energy: -149.671
Base-Backbone interact. energy: -1.113
local terms energy: -188.295076
where:
bonds (distance) C4'-P energy: -47.912
bonds (distance) P-C4' energy: -42.233
flat angles C4'-P-C4' energy: -46.486
flat angles P-C4'-P energy: -27.598
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -350.064617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.064617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.064617 (E_RNA)
where:
Base-Base interactions energy: -200.041
where: short stacking energy: -95.120
Base-Backbone interact. energy: -2.219
local terms energy: -147.804744
where:
bonds (distance) C4'-P energy: -43.674
bonds (distance) P-C4' energy: -34.210
flat angles C4'-P-C4' energy: -47.011
flat angles P-C4'-P energy: -21.252
tors. eta vs tors. theta energy: -1.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -1052.740180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.740180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.740180 (E_RNA)
where:
Base-Base interactions energy: -737.922
where: short stacking energy: -308.387
Base-Backbone interact. energy: -0.670
local terms energy: -314.148059
where:
bonds (distance) C4'-P energy: -62.339
bonds (distance) P-C4' energy: -57.490
flat angles C4'-P-C4' energy: -65.910
flat angles P-C4'-P energy: -42.233
tors. eta vs tors. theta energy: -86.176
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: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1009.768349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.768349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.768349 (E_RNA)
where:
Base-Base interactions energy: -704.779
where: short stacking energy: -292.402
Base-Backbone interact. energy: -1.675
local terms energy: -303.315182
where:
bonds (distance) C4'-P energy: -56.318
bonds (distance) P-C4' energy: -49.752
flat angles C4'-P-C4' energy: -64.225
flat angles P-C4'-P energy: -51.119
tors. eta vs tors. theta energy: -81.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -937.538002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -937.538002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -937.538002 (E_RNA)
where:
Base-Base interactions energy: -634.461
where: short stacking energy: -286.093
Base-Backbone interact. energy: -0.426
local terms energy: -302.651733
where:
bonds (distance) C4'-P energy: -62.003
bonds (distance) P-C4' energy: -52.954
flat angles C4'-P-C4' energy: -59.192
flat angles P-C4'-P energy: -43.513
tors. eta vs tors. theta energy: -84.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -911.571860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.571860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.571860 (E_RNA)
where:
Base-Base interactions energy: -614.102
where: short stacking energy: -257.346
Base-Backbone interact. energy: -2.315
local terms energy: -295.155058
where:
bonds (distance) C4'-P energy: -52.542
bonds (distance) P-C4' energy: -59.057
flat angles C4'-P-C4' energy: -59.183
flat angles P-C4'-P energy: -44.480
tors. eta vs tors. theta energy: -79.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -801.852566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.852566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.852566 (E_RNA)
where:
Base-Base interactions energy: -535.643
where: short stacking energy: -236.973
Base-Backbone interact. energy: -0.495
local terms energy: -265.714408
where:
bonds (distance) C4'-P energy: -48.047
bonds (distance) P-C4' energy: -61.234
flat angles C4'-P-C4' energy: -53.729
flat angles P-C4'-P energy: -34.421
tors. eta vs tors. theta energy: -68.283
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: 6
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -783.140655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.140655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.140655 (E_RNA)
where:
Base-Base interactions energy: -543.263
where: short stacking energy: -237.598
Base-Backbone interact. energy: 0.398
local terms energy: -240.275998
where:
bonds (distance) C4'-P energy: -43.548
bonds (distance) P-C4' energy: -45.528
flat angles C4'-P-C4' energy: -51.130
flat angles P-C4'-P energy: -36.804
tors. eta vs tors. theta energy: -63.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -755.829035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.829035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.829035 (E_RNA)
where:
Base-Base interactions energy: -510.854
where: short stacking energy: -208.247
Base-Backbone interact. energy: 2.453
local terms energy: -247.427799
where:
bonds (distance) C4'-P energy: -51.086
bonds (distance) P-C4' energy: -49.855
flat angles C4'-P-C4' energy: -53.667
flat angles P-C4'-P energy: -37.789
tors. eta vs tors. theta energy: -55.031
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: 480
Temperature: 1.250000
Total energy: -657.657403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.657403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.657403 (E_RNA)
where:
Base-Base interactions energy: -440.841
where: short stacking energy: -211.726
Base-Backbone interact. energy: 0.338
local terms energy: -217.154405
where:
bonds (distance) C4'-P energy: -37.383
bonds (distance) P-C4' energy: -44.520
flat angles C4'-P-C4' energy: -56.308
flat angles P-C4'-P energy: -32.103
tors. eta vs tors. theta energy: -46.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -465.679131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -465.679131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -465.679131 (E_RNA)
where:
Base-Base interactions energy: -266.881
where: short stacking energy: -157.618
Base-Backbone interact. energy: -1.220
local terms energy: -197.577494
where:
bonds (distance) C4'-P energy: -50.437
bonds (distance) P-C4' energy: -39.142
flat angles C4'-P-C4' energy: -50.702
flat angles P-C4'-P energy: -28.223
tors. eta vs tors. theta energy: -29.074
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: 3
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -359.233206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -359.233206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -359.233206 (E_RNA)
where:
Base-Base interactions energy: -187.471
where: short stacking energy: -92.719
Base-Backbone interact. energy: 0.229
local terms energy: -171.991092
where:
bonds (distance) C4'-P energy: -41.848
bonds (distance) P-C4' energy: -54.281
flat angles C4'-P-C4' energy: -44.375
flat angles P-C4'-P energy: -25.911
tors. eta vs tors. theta energy: -5.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1055.487889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.487889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.487889 (E_RNA)
where:
Base-Base interactions energy: -747.303
where: short stacking energy: -314.858
Base-Backbone interact. energy: -3.174
local terms energy: -305.010957
where:
bonds (distance) C4'-P energy: -58.261
bonds (distance) P-C4' energy: -53.346
flat angles C4'-P-C4' energy: -62.871
flat angles P-C4'-P energy: -38.308
tors. eta vs tors. theta energy: -92.225
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: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -999.800822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -999.800822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -999.800822 (E_RNA)
where:
Base-Base interactions energy: -686.325
where: short stacking energy: -290.729
Base-Backbone interact. energy: -3.932
local terms energy: -309.543818
where:
bonds (distance) C4'-P energy: -55.880
bonds (distance) P-C4' energy: -57.133
flat angles C4'-P-C4' energy: -62.134
flat angles P-C4'-P energy: -48.793
tors. eta vs tors. theta energy: -85.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -959.405221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.405221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.405221 (E_RNA)
where:
Base-Base interactions energy: -665.259
where: short stacking energy: -282.991
Base-Backbone interact. energy: 0.540
local terms energy: -294.685923
where:
bonds (distance) C4'-P energy: -53.131
bonds (distance) P-C4' energy: -43.136
flat angles C4'-P-C4' energy: -64.186
flat angles P-C4'-P energy: -45.771
tors. eta vs tors. theta energy: -88.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -906.468291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -906.468291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -906.468291 (E_RNA)
where:
Base-Base interactions energy: -617.053
where: short stacking energy: -276.297
Base-Backbone interact. energy: -0.693
local terms energy: -288.722220
where:
bonds (distance) C4'-P energy: -57.135
bonds (distance) P-C4' energy: -45.354
flat angles C4'-P-C4' energy: -61.415
flat angles P-C4'-P energy: -39.577
tors. eta vs tors. theta energy: -85.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -820.195916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -820.195916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -820.195916 (E_RNA)
where:
Base-Base interactions energy: -545.379
where: short stacking energy: -253.716
Base-Backbone interact. energy: -1.048
local terms energy: -273.768112
where:
bonds (distance) C4'-P energy: -47.823
bonds (distance) P-C4' energy: -57.515
flat angles C4'-P-C4' energy: -55.117
flat angles P-C4'-P energy: -40.770
tors. eta vs tors. theta energy: -72.543
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: 481
Temperature: 1.150000
Total energy: -765.670084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.670084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.670084 (E_RNA)
where:
Base-Base interactions energy: -522.721
where: short stacking energy: -193.988
Base-Backbone interact. energy: 1.354
local terms energy: -244.303114
where:
bonds (distance) C4'-P energy: -46.512
bonds (distance) P-C4' energy: -52.123
flat angles C4'-P-C4' energy: -56.130
flat angles P-C4'-P energy: -33.997
tors. eta vs tors. theta energy: -55.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -735.850758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.850758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.850758 (E_RNA)
where:
Base-Base interactions energy: -497.843
where: short stacking energy: -233.519
Base-Backbone interact. energy: -0.191
local terms energy: -237.817193
where:
bonds (distance) C4'-P energy: -41.542
bonds (distance) P-C4' energy: -42.937
flat angles C4'-P-C4' energy: -49.553
flat angles P-C4'-P energy: -40.762
tors. eta vs tors. theta energy: -63.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -627.653522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -627.653522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -627.653522 (E_RNA)
where:
Base-Base interactions energy: -429.124
where: short stacking energy: -188.174
Base-Backbone interact. energy: 0.132
local terms energy: -198.661079
where:
bonds (distance) C4'-P energy: -32.673
bonds (distance) P-C4' energy: -55.962
flat angles C4'-P-C4' energy: -40.875
flat angles P-C4'-P energy: -31.562
tors. eta vs tors. theta energy: -37.589
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: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -449.287430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -449.287430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -449.287430 (E_RNA)
where:
Base-Base interactions energy: -277.878
where: short stacking energy: -148.483
Base-Backbone interact. energy: -1.948
local terms energy: -169.460884
where:
bonds (distance) C4'-P energy: -28.558
bonds (distance) P-C4' energy: -52.394
flat angles C4'-P-C4' energy: -44.097
flat angles P-C4'-P energy: -22.744
tors. eta vs tors. theta energy: -21.668
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: 481
Temperature: 1.350000
Total energy: -361.517201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -361.517201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -361.517201 (E_RNA)
where:
Base-Base interactions energy: -185.086
where: short stacking energy: -92.281
Base-Backbone interact. energy: -2.590
local terms energy: -173.841777
where:
bonds (distance) C4'-P energy: -37.470
bonds (distance) P-C4' energy: -61.364
flat angles C4'-P-C4' energy: -41.402
flat angles P-C4'-P energy: -27.965
tors. eta vs tors. theta energy: -5.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1047.586728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.586728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.586728 (E_RNA)
where:
Base-Base interactions energy: -732.567
where: short stacking energy: -293.925
Base-Backbone interact. energy: -2.411
local terms energy: -312.609060
where:
bonds (distance) C4'-P energy: -53.398
bonds (distance) P-C4' energy: -59.120
flat angles C4'-P-C4' energy: -59.216
flat angles P-C4'-P energy: -49.505
tors. eta vs tors. theta energy: -91.370
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: 2, replica: 4
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1001.341692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.341692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.341692 (E_RNA)
where:
Base-Base interactions energy: -693.982
where: short stacking energy: -300.388
Base-Backbone interact. energy: -1.400
local terms energy: -305.959919
where:
bonds (distance) C4'-P energy: -54.849
bonds (distance) P-C4' energy: -58.562
flat angles C4'-P-C4' energy: -66.052
flat angles P-C4'-P energy: -42.290
tors. eta vs tors. theta energy: -84.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -943.938946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.938946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.938946 (E_RNA)
where:
Base-Base interactions energy: -649.268
where: short stacking energy: -289.658
Base-Backbone interact. energy: -0.298
local terms energy: -294.372732
where:
bonds (distance) C4'-P energy: -55.465
bonds (distance) P-C4' energy: -51.093
flat angles C4'-P-C4' energy: -59.037
flat angles P-C4'-P energy: -38.355
tors. eta vs tors. theta energy: -90.423
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: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -911.770901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -911.770901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -911.770901 (E_RNA)
where:
Base-Base interactions energy: -614.897
where: short stacking energy: -276.220
Base-Backbone interact. energy: -1.387
local terms energy: -295.486502
where:
bonds (distance) C4'-P energy: -52.986
bonds (distance) P-C4' energy: -57.623
flat angles C4'-P-C4' energy: -58.222
flat angles P-C4'-P energy: -41.342
tors. eta vs tors. theta energy: -85.314
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: 482
Temperature: 1.100000
Total energy: -783.737186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -783.737186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -783.737186 (E_RNA)
where:
Base-Base interactions energy: -527.229
where: short stacking energy: -218.700
Base-Backbone interact. energy: 0.850
local terms energy: -257.358787
where:
bonds (distance) C4'-P energy: -38.582
bonds (distance) P-C4' energy: -56.046
flat angles C4'-P-C4' energy: -56.043
flat angles P-C4'-P energy: -41.277
tors. eta vs tors. theta energy: -65.411
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: 2
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -780.883807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -780.883807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -780.883807 (E_RNA)
where:
Base-Base interactions energy: -546.194
where: short stacking energy: -244.281
Base-Backbone interact. energy: -0.622
local terms energy: -234.068375
where:
bonds (distance) C4'-P energy: -40.141
bonds (distance) P-C4' energy: -34.008
flat angles C4'-P-C4' energy: -53.675
flat angles P-C4'-P energy: -37.539
tors. eta vs tors. theta energy: -68.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -741.389745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.389745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.389745 (E_RNA)
where:
Base-Base interactions energy: -502.513
where: short stacking energy: -216.403
Base-Backbone interact. energy: 1.187
local terms energy: -240.063908
where:
bonds (distance) C4'-P energy: -40.069
bonds (distance) P-C4' energy: -52.166
flat angles C4'-P-C4' energy: -62.971
flat angles P-C4'-P energy: -30.706
tors. eta vs tors. theta energy: -54.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -607.392039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -607.392039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -607.392039 (E_RNA)
where:
Base-Base interactions energy: -396.176
where: short stacking energy: -174.599
Base-Backbone interact. energy: -1.445
local terms energy: -209.770849
where:
bonds (distance) C4'-P energy: -35.052
bonds (distance) P-C4' energy: -51.728
flat angles C4'-P-C4' energy: -43.944
flat angles P-C4'-P energy: -38.193
tors. eta vs tors. theta energy: -40.854
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: 9, replica: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -468.028913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -468.028913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -468.028913 (E_RNA)
where:
Base-Base interactions energy: -282.384
where: short stacking energy: -148.131
Base-Backbone interact. energy: 1.035
local terms energy: -186.680147
where:
bonds (distance) C4'-P energy: -46.114
bonds (distance) P-C4' energy: -36.129
flat angles C4'-P-C4' energy: -55.562
flat angles P-C4'-P energy: -28.633
tors. eta vs tors. theta energy: -20.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -354.375151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -354.375151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -354.375151 (E_RNA)
where:
Base-Base interactions energy: -187.770
where: short stacking energy: -103.307
Base-Backbone interact. energy: 0.953
local terms energy: -167.557246
where:
bonds (distance) C4'-P energy: -40.120
bonds (distance) P-C4' energy: -47.935
flat angles C4'-P-C4' energy: -45.943
flat angles P-C4'-P energy: -26.227
tors. eta vs tors. theta energy: -7.332
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: 1, replica: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -1054.771975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.771975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.771975 (E_RNA)
where:
Base-Base interactions energy: -752.163
where: short stacking energy: -308.074
Base-Backbone interact. energy: -1.708
local terms energy: -300.901403
where:
bonds (distance) C4'-P energy: -57.099
bonds (distance) P-C4' energy: -54.581
flat angles C4'-P-C4' energy: -63.202
flat angles P-C4'-P energy: -35.536
tors. eta vs tors. theta energy: -90.484
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: 1
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -986.012655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.012655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.012655 (E_RNA)
where:
Base-Base interactions energy: -659.483
where: short stacking energy: -302.894
Base-Backbone interact. energy: -0.491
local terms energy: -326.038916
where:
bonds (distance) C4'-P energy: -60.456
bonds (distance) P-C4' energy: -53.518
flat angles C4'-P-C4' energy: -69.833
flat angles P-C4'-P energy: -50.224
tors. eta vs tors. theta energy: -92.007
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: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -981.240555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.240555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.240555 (E_RNA)
where:
Base-Base interactions energy: -698.361
where: short stacking energy: -279.602
Base-Backbone interact. energy: -0.849
local terms energy: -282.030535
where:
bonds (distance) C4'-P energy: -58.024
bonds (distance) P-C4' energy: -52.065
flat angles C4'-P-C4' energy: -60.910
flat angles P-C4'-P energy: -34.555
tors. eta vs tors. theta energy: -76.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -903.294605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -903.294605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -903.294605 (E_RNA)
where:
Base-Base interactions energy: -617.781
where: short stacking energy: -279.122
Base-Backbone interact. energy: -0.279
local terms energy: -285.234961
where:
bonds (distance) C4'-P energy: -46.774
bonds (distance) P-C4' energy: -54.858
flat angles C4'-P-C4' energy: -60.134
flat angles P-C4'-P energy: -40.484
tors. eta vs tors. theta energy: -82.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -856.484035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.484035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.484035 (E_RNA)
where:
Base-Base interactions energy: -574.771
where: short stacking energy: -258.486
Base-Backbone interact. energy: 0.371
local terms energy: -282.083801
where:
bonds (distance) C4'-P energy: -49.276
bonds (distance) P-C4' energy: -53.235
flat angles C4'-P-C4' energy: -61.831
flat angles P-C4'-P energy: -42.543
tors. eta vs tors. theta energy: -75.198
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: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -758.267714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -758.267714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -758.267714 (E_RNA)
where:
Base-Base interactions energy: -508.984
where: short stacking energy: -235.915
Base-Backbone interact. energy: 0.227
local terms energy: -249.511192
where:
bonds (distance) C4'-P energy: -45.434
bonds (distance) P-C4' energy: -45.866
flat angles C4'-P-C4' energy: -62.871
flat angles P-C4'-P energy: -34.483
tors. eta vs tors. theta energy: -60.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -764.128236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.128236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.128236 (E_RNA)
where:
Base-Base interactions energy: -509.994
where: short stacking energy: -216.610
Base-Backbone interact. energy: -1.721
local terms energy: -252.413495
where:
bonds (distance) C4'-P energy: -44.998
bonds (distance) P-C4' energy: -45.280
flat angles C4'-P-C4' energy: -55.085
flat angles P-C4'-P energy: -36.728
tors. eta vs tors. theta energy: -70.322
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: 483
Temperature: 1.250000
Total energy: -567.994374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -567.994374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -567.994374 (E_RNA)
where:
Base-Base interactions energy: -362.484
where: short stacking energy: -169.798
Base-Backbone interact. energy: -0.704
local terms energy: -204.806734
where:
bonds (distance) C4'-P energy: -50.831
bonds (distance) P-C4' energy: -42.614
flat angles C4'-P-C4' energy: -42.633
flat angles P-C4'-P energy: -35.355
tors. eta vs tors. theta energy: -33.373
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: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -456.365292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -456.365292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -456.365292 (E_RNA)
where:
Base-Base interactions energy: -256.334
where: short stacking energy: -137.714
Base-Backbone interact. energy: -0.141
local terms energy: -199.890435
where:
bonds (distance) C4'-P energy: -51.511
bonds (distance) P-C4' energy: -44.281
flat angles C4'-P-C4' energy: -39.444
flat angles P-C4'-P energy: -33.519
tors. eta vs tors. theta energy: -31.135
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: 10, replica: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -347.406176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -347.406176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -347.406176 (E_RNA)
where:
Base-Base interactions energy: -203.948
where: short stacking energy: -101.561
Base-Backbone interact. energy: 2.755
local terms energy: -146.214102
where:
bonds (distance) C4'-P energy: -56.971
bonds (distance) P-C4' energy: -28.468
flat angles C4'-P-C4' energy: -39.167
flat angles P-C4'-P energy: -22.680
tors. eta vs tors. theta energy: 1.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1054.769238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.769238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.769238 (E_RNA)
where:
Base-Base interactions energy: -729.049
where: short stacking energy: -315.472
Base-Backbone interact. energy: -1.958
local terms energy: -323.763175
where:
bonds (distance) C4'-P energy: -56.586
bonds (distance) P-C4' energy: -68.328
flat angles C4'-P-C4' energy: -55.940
flat angles P-C4'-P energy: -42.859
tors. eta vs tors. theta energy: -100.050
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: 1
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -976.404325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.404325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.404325 (E_RNA)
where:
Base-Base interactions energy: -673.146
where: short stacking energy: -272.788
Base-Backbone interact. energy: -0.907
local terms energy: -302.351751
where:
bonds (distance) C4'-P energy: -52.742
bonds (distance) P-C4' energy: -64.545
flat angles C4'-P-C4' energy: -63.712
flat angles P-C4'-P energy: -37.263
tors. eta vs tors. theta energy: -84.090
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: 4
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -975.960187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.960187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.960187 (E_RNA)
where:
Base-Base interactions energy: -679.770
where: short stacking energy: -277.328
Base-Backbone interact. energy: -2.043
local terms energy: -294.147305
where:
bonds (distance) C4'-P energy: -51.548
bonds (distance) P-C4' energy: -59.531
flat angles C4'-P-C4' energy: -60.040
flat angles P-C4'-P energy: -38.512
tors. eta vs tors. theta energy: -84.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -907.953846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -907.953846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -907.953846 (E_RNA)
where:
Base-Base interactions energy: -618.671
where: short stacking energy: -278.417
Base-Backbone interact. energy: -1.365
local terms energy: -287.917836
where:
bonds (distance) C4'-P energy: -58.365
bonds (distance) P-C4' energy: -46.069
flat angles C4'-P-C4' energy: -57.660
flat angles P-C4'-P energy: -40.605
tors. eta vs tors. theta energy: -85.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -835.269021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.269021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.269021 (E_RNA)
where:
Base-Base interactions energy: -555.844
where: short stacking energy: -247.631
Base-Backbone interact. energy: -1.973
local terms energy: -277.451672
where:
bonds (distance) C4'-P energy: -56.347
bonds (distance) P-C4' energy: -47.257
flat angles C4'-P-C4' energy: -52.195
flat angles P-C4'-P energy: -48.068
tors. eta vs tors. theta energy: -73.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -759.283419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.283419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.283419 (E_RNA)
where:
Base-Base interactions energy: -509.763
where: short stacking energy: -229.855
Base-Backbone interact. energy: -0.557
local terms energy: -248.963290
where:
bonds (distance) C4'-P energy: -51.800
bonds (distance) P-C4' energy: -49.994
flat angles C4'-P-C4' energy: -60.672
flat angles P-C4'-P energy: -32.847
tors. eta vs tors. theta energy: -53.650
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: 7, replica: 2
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -738.472959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -738.472959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -738.472959 (E_RNA)
where:
Base-Base interactions energy: -485.327
where: short stacking energy: -214.342
Base-Backbone interact. energy: -0.044
local terms energy: -253.101727
where:
bonds (distance) C4'-P energy: -37.026
bonds (distance) P-C4' energy: -55.504
flat angles C4'-P-C4' energy: -63.729
flat angles P-C4'-P energy: -42.821
tors. eta vs tors. theta energy: -54.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -562.873688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -562.873688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -562.873688 (E_RNA)
where:
Base-Base interactions energy: -364.693
where: short stacking energy: -168.618
Base-Backbone interact. energy: -3.743
local terms energy: -194.437012
where:
bonds (distance) C4'-P energy: -47.280
bonds (distance) P-C4' energy: -49.035
flat angles C4'-P-C4' energy: -45.444
flat angles P-C4'-P energy: -18.397
tors. eta vs tors. theta energy: -34.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -463.643624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.643624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.643624 (E_RNA)
where:
Base-Base interactions energy: -265.473
where: short stacking energy: -118.951
Base-Backbone interact. energy: -2.422
local terms energy: -195.748385
where:
bonds (distance) C4'-P energy: -48.282
bonds (distance) P-C4' energy: -51.247
flat angles C4'-P-C4' energy: -42.998
flat angles P-C4'-P energy: -30.734
tors. eta vs tors. theta energy: -22.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -340.327279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -340.327279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -340.327279 (E_RNA)
where:
Base-Base interactions energy: -173.447
where: short stacking energy: -101.321
Base-Backbone interact. energy: 0.163
local terms energy: -167.043919
where:
bonds (distance) C4'-P energy: -48.763
bonds (distance) P-C4' energy: -46.377
flat angles C4'-P-C4' energy: -42.860
flat angles P-C4'-P energy: -18.041
tors. eta vs tors. theta energy: -11.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1052.102791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.102791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.102791 (E_RNA)
where:
Base-Base interactions energy: -743.232
where: short stacking energy: -311.908
Base-Backbone interact. energy: -1.975
local terms energy: -306.896287
where:
bonds (distance) C4'-P energy: -46.900
bonds (distance) P-C4' energy: -50.390
flat angles C4'-P-C4' energy: -62.252
flat angles P-C4'-P energy: -48.681
tors. eta vs tors. theta energy: -98.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1006.410495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1006.410495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1006.410495 (E_RNA)
where:
Base-Base interactions energy: -707.388
where: short stacking energy: -279.280
Base-Backbone interact. energy: -0.742
local terms energy: -298.281135
where:
bonds (distance) C4'-P energy: -59.623
bonds (distance) P-C4' energy: -56.007
flat angles C4'-P-C4' energy: -61.612
flat angles P-C4'-P energy: -38.023
tors. eta vs tors. theta energy: -83.015
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: 1
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -938.146037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -938.146037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -938.146037 (E_RNA)
where:
Base-Base interactions energy: -655.218
where: short stacking energy: -276.950
Base-Backbone interact. energy: 0.162
local terms energy: -283.089650
where:
bonds (distance) C4'-P energy: -44.883
bonds (distance) P-C4' energy: -55.909
flat angles C4'-P-C4' energy: -59.137
flat angles P-C4'-P energy: -41.010
tors. eta vs tors. theta energy: -82.151
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: 8
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -893.268442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.268442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.268442 (E_RNA)
where:
Base-Base interactions energy: -594.938
where: short stacking energy: -246.773
Base-Backbone interact. energy: -1.533
local terms energy: -296.798201
where:
bonds (distance) C4'-P energy: -56.515
bonds (distance) P-C4' energy: -57.176
flat angles C4'-P-C4' energy: -59.108
flat angles P-C4'-P energy: -45.349
tors. eta vs tors. theta energy: -78.650
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: 5, replica: 5
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -829.090231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.090231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.090231 (E_RNA)
where:
Base-Base interactions energy: -568.048
where: short stacking energy: -243.916
Base-Backbone interact. energy: -2.737
local terms energy: -258.304818
where:
bonds (distance) C4'-P energy: -31.338
bonds (distance) P-C4' energy: -58.840
flat angles C4'-P-C4' energy: -59.205
flat angles P-C4'-P energy: -35.498
tors. eta vs tors. theta energy: -73.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -797.703056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -797.703056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -797.703056 (E_RNA)
where:
Base-Base interactions energy: -536.116
where: short stacking energy: -221.987
Base-Backbone interact. energy: -1.128
local terms energy: -260.459634
where:
bonds (distance) C4'-P energy: -39.835
bonds (distance) P-C4' energy: -60.023
flat angles C4'-P-C4' energy: -55.688
flat angles P-C4'-P energy: -33.836
tors. eta vs tors. theta energy: -71.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -714.681100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -714.681100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -714.681100 (E_RNA)
where:
Base-Base interactions energy: -474.397
where: short stacking energy: -204.535
Base-Backbone interact. energy: 0.076
local terms energy: -240.359425
where:
bonds (distance) C4'-P energy: -51.124
bonds (distance) P-C4' energy: -46.372
flat angles C4'-P-C4' energy: -52.651
flat angles P-C4'-P energy: -30.900
tors. eta vs tors. theta energy: -59.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -598.959003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -598.959003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -598.959003 (E_RNA)
where:
Base-Base interactions energy: -422.037
where: short stacking energy: -178.626
Base-Backbone interact. energy: -0.319
local terms energy: -176.603138
where:
bonds (distance) C4'-P energy: -33.962
bonds (distance) P-C4' energy: -42.187
flat angles C4'-P-C4' energy: -43.255
flat angles P-C4'-P energy: -27.668
tors. eta vs tors. theta energy: -29.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -450.815820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -450.815820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -450.815820 (E_RNA)
where:
Base-Base interactions energy: -269.735
where: short stacking energy: -125.223
Base-Backbone interact. energy: -1.709
local terms energy: -179.371347
where:
bonds (distance) C4'-P energy: -49.592
bonds (distance) P-C4' energy: -49.264
flat angles C4'-P-C4' energy: -40.605
flat angles P-C4'-P energy: -30.119
tors. eta vs tors. theta energy: -9.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -350.848530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -350.848530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -350.848530 (E_RNA)
where:
Base-Base interactions energy: -196.508
where: short stacking energy: -121.604
Base-Backbone interact. energy: 0.309
local terms energy: -154.649443
where:
bonds (distance) C4'-P energy: -43.351
bonds (distance) P-C4' energy: -48.406
flat angles C4'-P-C4' energy: -22.072
flat angles P-C4'-P energy: -32.244
tors. eta vs tors. theta energy: -8.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1050.120457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.120457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.120457 (E_RNA)
where:
Base-Base interactions energy: -734.164
where: short stacking energy: -297.042
Base-Backbone interact. energy: -0.602
local terms energy: -315.354975
where:
bonds (distance) C4'-P energy: -56.534
bonds (distance) P-C4' energy: -56.858
flat angles C4'-P-C4' energy: -65.884
flat angles P-C4'-P energy: -42.454
tors. eta vs tors. theta energy: -93.625
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: 4
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1002.136245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.136245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.136245 (E_RNA)
where:
Base-Base interactions energy: -725.962
where: short stacking energy: -301.704
Base-Backbone interact. energy: -2.134
local terms energy: -274.040481
where:
bonds (distance) C4'-P energy: -44.890
bonds (distance) P-C4' energy: -44.697
flat angles C4'-P-C4' energy: -58.508
flat angles P-C4'-P energy: -43.106
tors. eta vs tors. theta energy: -82.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -922.812309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -922.812309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -922.812309 (E_RNA)
where:
Base-Base interactions energy: -644.360
where: short stacking energy: -281.076
Base-Backbone interact. energy: -0.455
local terms energy: -277.996931
where:
bonds (distance) C4'-P energy: -54.775
bonds (distance) P-C4' energy: -50.674
flat angles C4'-P-C4' energy: -55.979
flat angles P-C4'-P energy: -34.407
tors. eta vs tors. theta energy: -82.161
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: 8
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -894.119292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -894.119292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -894.119292 (E_RNA)
where:
Base-Base interactions energy: -617.197
where: short stacking energy: -265.157
Base-Backbone interact. energy: -1.524
local terms energy: -275.398236
where:
bonds (distance) C4'-P energy: -53.213
bonds (distance) P-C4' energy: -55.137
flat angles C4'-P-C4' energy: -50.173
flat angles P-C4'-P energy: -37.172
tors. eta vs tors. theta energy: -79.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -799.876270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.876270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.876270 (E_RNA)
where:
Base-Base interactions energy: -542.778
where: short stacking energy: -236.943
Base-Backbone interact. energy: -1.698
local terms energy: -255.400720
where:
bonds (distance) C4'-P energy: -49.181
bonds (distance) P-C4' energy: -53.946
flat angles C4'-P-C4' energy: -51.452
flat angles P-C4'-P energy: -27.896
tors. eta vs tors. theta energy: -72.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -799.952892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.952892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.952892 (E_RNA)
where:
Base-Base interactions energy: -552.349
where: short stacking energy: -240.662
Base-Backbone interact. energy: -0.312
local terms energy: -247.292680
where:
bonds (distance) C4'-P energy: -39.001
bonds (distance) P-C4' energy: -46.903
flat angles C4'-P-C4' energy: -57.333
flat angles P-C4'-P energy: -28.200
tors. eta vs tors. theta energy: -75.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -683.550830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.550830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.550830 (E_RNA)
where:
Base-Base interactions energy: -455.929
where: short stacking energy: -213.936
Base-Backbone interact. energy: -1.353
local terms energy: -226.269647
where:
bonds (distance) C4'-P energy: -40.833
bonds (distance) P-C4' energy: -44.563
flat angles C4'-P-C4' energy: -55.333
flat angles P-C4'-P energy: -26.061
tors. eta vs tors. theta energy: -59.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -599.424166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -599.424166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -599.424166 (E_RNA)
where:
Base-Base interactions energy: -384.724
where: short stacking energy: -168.684
Base-Backbone interact. energy: -2.156
local terms energy: -212.543942
where:
bonds (distance) C4'-P energy: -55.580
bonds (distance) P-C4' energy: -40.009
flat angles C4'-P-C4' energy: -44.682
flat angles P-C4'-P energy: -29.864
tors. eta vs tors. theta energy: -42.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -436.305464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -436.305464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -436.305464 (E_RNA)
where:
Base-Base interactions energy: -240.656
where: short stacking energy: -114.892
Base-Backbone interact. energy: 0.568
local terms energy: -196.217930
where:
bonds (distance) C4'-P energy: -51.537
bonds (distance) P-C4' energy: -59.741
flat angles C4'-P-C4' energy: -41.165
flat angles P-C4'-P energy: -25.446
tors. eta vs tors. theta energy: -18.330
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: 3
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -330.681990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -330.681990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -330.681990 (E_RNA)
where:
Base-Base interactions energy: -170.118
where: short stacking energy: -93.977
Base-Backbone interact. energy: 1.402
local terms energy: -161.966179
where:
bonds (distance) C4'-P energy: -57.321
bonds (distance) P-C4' energy: -47.192
flat angles C4'-P-C4' energy: -40.464
flat angles P-C4'-P energy: -21.006
tors. eta vs tors. theta energy: 4.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1055.561344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.561344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.561344 (E_RNA)
where:
Base-Base interactions energy: -729.800
where: short stacking energy: -307.917
Base-Backbone interact. energy: -1.361
local terms energy: -324.400816
where:
bonds (distance) C4'-P energy: -53.299
bonds (distance) P-C4' energy: -59.548
flat angles C4'-P-C4' energy: -61.398
flat angles P-C4'-P energy: -47.815
tors. eta vs tors. theta energy: -102.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -995.572252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.572252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.572252 (E_RNA)
where:
Base-Base interactions energy: -689.104
where: short stacking energy: -285.550
Base-Backbone interact. energy: -6.115
local terms energy: -300.353248
where:
bonds (distance) C4'-P energy: -55.132
bonds (distance) P-C4' energy: -58.367
flat angles C4'-P-C4' energy: -63.753
flat angles P-C4'-P energy: -44.418
tors. eta vs tors. theta energy: -78.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -954.380953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -954.380953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -954.380953 (E_RNA)
where:
Base-Base interactions energy: -652.901
where: short stacking energy: -277.182
Base-Backbone interact. energy: -1.133
local terms energy: -300.347110
where:
bonds (distance) C4'-P energy: -56.045
bonds (distance) P-C4' energy: -57.896
flat angles C4'-P-C4' energy: -65.654
flat angles P-C4'-P energy: -37.040
tors. eta vs tors. theta energy: -83.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -910.440382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -910.440382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -910.440382 (E_RNA)
where:
Base-Base interactions energy: -643.348
where: short stacking energy: -277.891
Base-Backbone interact. energy: -0.470
local terms energy: -266.622148
where:
bonds (distance) C4'-P energy: -40.114
bonds (distance) P-C4' energy: -51.679
flat angles C4'-P-C4' energy: -54.846
flat angles P-C4'-P energy: -34.406
tors. eta vs tors. theta energy: -85.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -835.951388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.951388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.951388 (E_RNA)
where:
Base-Base interactions energy: -554.416
where: short stacking energy: -227.914
Base-Backbone interact. energy: -0.312
local terms energy: -281.223528
where:
bonds (distance) C4'-P energy: -53.313
bonds (distance) P-C4' energy: -54.468
flat angles C4'-P-C4' energy: -63.082
flat angles P-C4'-P energy: -34.889
tors. eta vs tors. theta energy: -75.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -705.470974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -705.470974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -705.470974 (E_RNA)
where:
Base-Base interactions energy: -473.736
where: short stacking energy: -220.758
Base-Backbone interact. energy: -1.275
local terms energy: -230.459960
where:
bonds (distance) C4'-P energy: -48.065
bonds (distance) P-C4' energy: -41.447
flat angles C4'-P-C4' energy: -53.603
flat angles P-C4'-P energy: -31.556
tors. eta vs tors. theta energy: -55.789
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: 7, replica: 5
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -788.980682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.980682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.980682 (E_RNA)
where:
Base-Base interactions energy: -524.553
where: short stacking energy: -213.062
Base-Backbone interact. energy: -0.983
local terms energy: -263.444762
where:
bonds (distance) C4'-P energy: -47.946
bonds (distance) P-C4' energy: -57.865
flat angles C4'-P-C4' energy: -54.112
flat angles P-C4'-P energy: -38.537
tors. eta vs tors. theta energy: -64.984
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: 487
Temperature: 1.250000
Total energy: -574.590342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -574.590342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -574.590342 (E_RNA)
where:
Base-Base interactions energy: -366.950
where: short stacking energy: -158.267
Base-Backbone interact. energy: -0.430
local terms energy: -207.210600
where:
bonds (distance) C4'-P energy: -49.578
bonds (distance) P-C4' energy: -46.465
flat angles C4'-P-C4' energy: -48.855
flat angles P-C4'-P energy: -29.048
tors. eta vs tors. theta energy: -33.265
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: 9
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -426.123490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -426.123490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -426.123490 (E_RNA)
where:
Base-Base interactions energy: -252.528
where: short stacking energy: -123.052
Base-Backbone interact. energy: -0.195
local terms energy: -173.400646
where:
bonds (distance) C4'-P energy: -41.661
bonds (distance) P-C4' energy: -43.444
flat angles C4'-P-C4' energy: -46.184
flat angles P-C4'-P energy: -20.967
tors. eta vs tors. theta energy: -21.145
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: 10, replica: 3
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -352.149676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -352.149676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -352.149676 (E_RNA)
where:
Base-Base interactions energy: -183.515
where: short stacking energy: -94.811
Base-Backbone interact. energy: 0.449
local terms energy: -169.083837
where:
bonds (distance) C4'-P energy: -48.181
bonds (distance) P-C4' energy: -47.751
flat angles C4'-P-C4' energy: -46.614
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1047.256200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.256200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.256200 (E_RNA)
where:
Base-Base interactions energy: -735.142
where: short stacking energy: -304.613
Base-Backbone interact. energy: -1.766
local terms energy: -310.347527
where:
bonds (distance) C4'-P energy: -57.728
bonds (distance) P-C4' energy: -55.370
flat angles C4'-P-C4' energy: -61.479
flat angles P-C4'-P energy: -36.930
tors. eta vs tors. theta energy: -98.841
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: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -982.845904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.845904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.845904 (E_RNA)
where:
Base-Base interactions energy: -699.641
where: short stacking energy: -278.708
Base-Backbone interact. energy: -0.842
local terms energy: -282.362549
where:
bonds (distance) C4'-P energy: -43.802
bonds (distance) P-C4' energy: -52.574
flat angles C4'-P-C4' energy: -61.029
flat angles P-C4'-P energy: -45.149
tors. eta vs tors. theta energy: -79.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -929.884403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -929.884403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -929.884403 (E_RNA)
where:
Base-Base interactions energy: -653.129
where: short stacking energy: -271.744
Base-Backbone interact. energy: -0.092
local terms energy: -276.663553
where:
bonds (distance) C4'-P energy: -43.689
bonds (distance) P-C4' energy: -51.442
flat angles C4'-P-C4' energy: -60.007
flat angles P-C4'-P energy: -39.297
tors. eta vs tors. theta energy: -82.228
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: 4, replica: 8
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -936.516539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -936.516539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -936.516539 (E_RNA)
where:
Base-Base interactions energy: -648.835
where: short stacking energy: -284.111
Base-Backbone interact. energy: -1.503
local terms energy: -286.178989
where:
bonds (distance) C4'-P energy: -51.120
bonds (distance) P-C4' energy: -52.111
flat angles C4'-P-C4' energy: -56.284
flat angles P-C4'-P energy: -39.520
tors. eta vs tors. theta energy: -87.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -858.152967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.152967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.152967 (E_RNA)
where:
Base-Base interactions energy: -575.509
where: short stacking energy: -252.565
Base-Backbone interact. energy: -0.650
local terms energy: -281.993580
where:
bonds (distance) C4'-P energy: -55.161
bonds (distance) P-C4' energy: -45.630
flat angles C4'-P-C4' energy: -62.599
flat angles P-C4'-P energy: -41.860
tors. eta vs tors. theta energy: -76.742
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: 2
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -743.674404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.674404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.674404 (E_RNA)
where:
Base-Base interactions energy: -496.013
where: short stacking energy: -218.986
Base-Backbone interact. energy: -0.361
local terms energy: -247.300240
where:
bonds (distance) C4'-P energy: -53.728
bonds (distance) P-C4' energy: -50.167
flat angles C4'-P-C4' energy: -55.525
flat angles P-C4'-P energy: -28.069
tors. eta vs tors. theta energy: -59.811
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: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -729.144429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.144429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.144429 (E_RNA)
where:
Base-Base interactions energy: -495.887
where: short stacking energy: -222.157
Base-Backbone interact. energy: -0.365
local terms energy: -232.892535
where:
bonds (distance) C4'-P energy: -45.264
bonds (distance) P-C4' energy: -51.613
flat angles C4'-P-C4' energy: -53.020
flat angles P-C4'-P energy: -24.959
tors. eta vs tors. theta energy: -58.037
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: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -591.607682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -591.607682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -591.607682 (E_RNA)
where:
Base-Base interactions energy: -391.219
where: short stacking energy: -189.274
Base-Backbone interact. energy: 2.651
local terms energy: -203.039103
where:
bonds (distance) C4'-P energy: -44.123
bonds (distance) P-C4' energy: -49.015
flat angles C4'-P-C4' energy: -48.275
flat angles P-C4'-P energy: -18.239
tors. eta vs tors. theta energy: -43.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -457.005036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -457.005036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -457.005036 (E_RNA)
where:
Base-Base interactions energy: -270.032
where: short stacking energy: -144.573
Base-Backbone interact. energy: -0.659
local terms energy: -186.314387
where:
bonds (distance) C4'-P energy: -36.053
bonds (distance) P-C4' energy: -54.385
flat angles C4'-P-C4' energy: -43.321
flat angles P-C4'-P energy: -28.854
tors. eta vs tors. theta energy: -23.701
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: 488
Temperature: 1.350000
Total energy: -339.007284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -339.007284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -339.007284 (E_RNA)
where:
Base-Base interactions energy: -164.994
where: short stacking energy: -99.190
Base-Backbone interact. energy: 1.314
local terms energy: -175.327079
where:
bonds (distance) C4'-P energy: -45.053
bonds (distance) P-C4' energy: -48.865
flat angles C4'-P-C4' energy: -47.442
flat angles P-C4'-P energy: -28.819
tors. eta vs tors. theta energy: -5.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1039.802362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.802362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.802362 (E_RNA)
where:
Base-Base interactions energy: -726.773
where: short stacking energy: -313.717
Base-Backbone interact. energy: -3.209
local terms energy: -309.820609
where:
bonds (distance) C4'-P energy: -50.970
bonds (distance) P-C4' energy: -51.748
flat angles C4'-P-C4' energy: -61.245
flat angles P-C4'-P energy: -42.889
tors. eta vs tors. theta energy: -102.969
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: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -987.068494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.068494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.068494 (E_RNA)
where:
Base-Base interactions energy: -682.686
where: short stacking energy: -286.595
Base-Backbone interact. energy: -1.361
local terms energy: -303.022036
where:
bonds (distance) C4'-P energy: -58.275
bonds (distance) P-C4' energy: -57.597
flat angles C4'-P-C4' energy: -59.062
flat angles P-C4'-P energy: -47.155
tors. eta vs tors. theta energy: -80.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -982.587942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.587942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.587942 (E_RNA)
where:
Base-Base interactions energy: -672.256
where: short stacking energy: -284.218
Base-Backbone interact. energy: -0.096
local terms energy: -310.235892
where:
bonds (distance) C4'-P energy: -53.932
bonds (distance) P-C4' energy: -58.075
flat angles C4'-P-C4' energy: -60.378
flat angles P-C4'-P energy: -45.224
tors. eta vs tors. theta energy: -92.627
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: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -912.324783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.324783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.324783 (E_RNA)
where:
Base-Base interactions energy: -626.116
where: short stacking energy: -273.246
Base-Backbone interact. energy: -2.870
local terms energy: -283.339329
where:
bonds (distance) C4'-P energy: -53.137
bonds (distance) P-C4' energy: -49.079
flat angles C4'-P-C4' energy: -64.557
flat angles P-C4'-P energy: -38.351
tors. eta vs tors. theta energy: -78.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -856.234621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.234621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.234621 (E_RNA)
where:
Base-Base interactions energy: -599.094
where: short stacking energy: -262.757
Base-Backbone interact. energy: -0.886
local terms energy: -256.255003
where:
bonds (distance) C4'-P energy: -51.584
bonds (distance) P-C4' energy: -46.405
flat angles C4'-P-C4' energy: -54.398
flat angles P-C4'-P energy: -26.130
tors. eta vs tors. theta energy: -77.738
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: 6, replica: 5
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -772.355569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.355569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.355569 (E_RNA)
where:
Base-Base interactions energy: -514.206
where: short stacking energy: -228.487
Base-Backbone interact. energy: 0.401
local terms energy: -258.550946
where:
bonds (distance) C4'-P energy: -54.191
bonds (distance) P-C4' energy: -52.340
flat angles C4'-P-C4' energy: -48.571
flat angles P-C4'-P energy: -35.839
tors. eta vs tors. theta energy: -67.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -726.466286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.466286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.466286 (E_RNA)
where:
Base-Base interactions energy: -489.757
where: short stacking energy: -234.423
Base-Backbone interact. energy: -0.323
local terms energy: -236.386132
where:
bonds (distance) C4'-P energy: -37.917
bonds (distance) P-C4' energy: -52.616
flat angles C4'-P-C4' energy: -54.087
flat angles P-C4'-P energy: -34.829
tors. eta vs tors. theta energy: -56.937
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: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -623.863635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -623.863635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -623.863635 (E_RNA)
where:
Base-Base interactions energy: -399.338
where: short stacking energy: -175.620
Base-Backbone interact. energy: -0.750
local terms energy: -223.775359
where:
bonds (distance) C4'-P energy: -48.701
bonds (distance) P-C4' energy: -49.428
flat angles C4'-P-C4' energy: -52.963
flat angles P-C4'-P energy: -31.215
tors. eta vs tors. theta energy: -41.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -463.926711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -463.926711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -463.926711 (E_RNA)
where:
Base-Base interactions energy: -271.136
where: short stacking energy: -156.187
Base-Backbone interact. energy: 0.993
local terms energy: -193.784109
where:
bonds (distance) C4'-P energy: -48.687
bonds (distance) P-C4' energy: -42.720
flat angles C4'-P-C4' energy: -46.046
flat angles P-C4'-P energy: -29.555
tors. eta vs tors. theta energy: -26.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -317.457703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -317.457703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -317.457703 (E_RNA)
where:
Base-Base interactions energy: -151.432
where: short stacking energy: -86.168
Base-Backbone interact. energy: -0.536
local terms energy: -165.489313
where:
bonds (distance) C4'-P energy: -48.624
bonds (distance) P-C4' energy: -40.954
flat angles C4'-P-C4' energy: -42.186
flat angles P-C4'-P energy: -31.357
tors. eta vs tors. theta energy: -2.368
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)
out arg RESULTS//1/FSE-e361bc6c_01
DONE
DONE